USER MOD reduce.3.3.160602 H: found=0, std=0, add=562, rem=0, adj=14 USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 MET N :NH3+ 176:sc= 0 (180deg=-0.0258) USER MOD Single : A 3 LYS NZ :NH3+ -108:sc= 0.0991 (180deg=0) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0377) USER MOD Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 9 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.0141) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0.0705 USER MOD Single : A 18 SER OG : rot -78:sc= 1.1 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 SER OG : rot 125:sc= 1.3 USER MOD Single : A 33 THR OG1 : rot 180:sc= -0.0229 USER MOD Single : A 34 TYR OH : rot 117:sc= 0.905 USER MOD Single : A 37 ASN : amide:sc= 0.116 K(o=0.12,f=-0.39) USER MOD Single : A 39 LYS NZ :NH3+ -125:sc= 0.202 (180deg=0.00837) USER MOD Single : A 40 THR OG1 : rot 93:sc= 0.00791 USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ 174:sc= 0.365 (180deg=0.324) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -12.847 3.702 8.916 1.00 4.13 ATOM 2 CA MET A 1 -11.690 3.279 9.694 1.00 3.77 ATOM 3 C MET A 1 -10.648 2.603 8.803 1.00 2.78 ATOM 4 O MET A 1 -9.876 1.771 9.272 1.00 3.00 ATOM 5 CB MET A 1 -12.153 2.318 10.804 1.00 4.37 ATOM 6 CG MET A 1 -12.753 0.998 10.273 1.00 4.12 ATOM 7 SD MET A 1 -12.259 -0.496 11.171 1.00 4.81 ATOM 8 CE MET A 1 -12.957 -0.146 12.797 1.00 5.28 ATOM 9 H1 MET A 1 -13.464 4.040 9.461 1.00 4.13 H new ATOM 10 H2 MET A 1 -12.599 4.323 8.328 1.00 4.13 H new ATOM 11 H3 MET A 1 -13.185 3.002 8.482 1.00 4.13 H new ATOM 12 HA MET A 1 -11.274 4.060 10.092 1.00 3.77 H new ATOM 13 HB2 MET A 1 -11.399 2.113 11.378 1.00 4.37 H new ATOM 14 HB3 MET A 1 -12.815 2.766 11.354 1.00 4.37 H new ATOM 15 HG2 MET A 1 -13.720 1.067 10.298 1.00 4.12 H new ATOM 16 HG3 MET A 1 -12.499 0.896 9.342 1.00 4.12 H new ATOM 17 HE1 MET A 1 -12.764 -0.883 13.398 1.00 5.28 H new ATOM 18 HE2 MET A 1 -12.566 0.669 13.149 1.00 5.28 H new ATOM 19 HE3 MET A 1 -13.918 -0.036 12.720 1.00 5.28 H new ATOM 20 N VAL A 2 -10.704 2.880 7.497 1.00 2.27 ATOM 21 CA VAL A 2 -10.293 1.879 6.510 1.00 1.87 ATOM 22 C VAL A 2 -9.410 2.474 5.416 1.00 1.75 ATOM 23 O VAL A 2 -9.219 1.905 4.346 1.00 1.94 ATOM 24 CB VAL A 2 -11.547 1.108 6.045 1.00 2.42 ATOM 25 CG1 VAL A 2 -12.146 1.614 4.724 1.00 3.10 ATOM 26 CG2 VAL A 2 -11.258 -0.397 6.059 1.00 2.95 ATOM 27 H VAL A 2 -10.972 3.628 7.167 1.00 2.27 H new ATOM 28 HA VAL A 2 -9.702 1.220 6.905 1.00 1.87 H new ATOM 29 HB VAL A 2 -12.256 1.286 6.683 1.00 2.42 H new ATOM 30 HG11 VAL A 2 -12.926 1.084 4.498 1.00 3.10 H new ATOM 31 HG12 VAL A 2 -12.405 2.544 4.821 1.00 3.10 H new ATOM 32 HG13 VAL A 2 -11.486 1.534 4.018 1.00 3.10 H new ATOM 33 HG21 VAL A 2 -12.046 -0.881 5.767 1.00 2.95 H new ATOM 34 HG22 VAL A 2 -10.520 -0.591 5.460 1.00 2.95 H new ATOM 35 HG23 VAL A 2 -11.025 -0.674 6.959 1.00 2.95 H new ATOM 36 N LYS A 3 -8.762 3.578 5.768 1.00 1.49 ATOM 37 CA LYS A 3 -7.461 3.885 5.213 1.00 1.28 ATOM 38 C LYS A 3 -6.492 2.858 5.819 1.00 0.92 ATOM 39 O LYS A 3 -6.827 2.142 6.766 1.00 0.97 ATOM 40 CB LYS A 3 -7.128 5.338 5.570 1.00 1.20 ATOM 41 CG LYS A 3 -6.786 5.465 7.055 1.00 0.89 ATOM 42 CD LYS A 3 -7.113 6.863 7.596 1.00 1.22 ATOM 43 CE LYS A 3 -7.344 6.789 9.109 1.00 1.34 ATOM 44 NZ LYS A 3 -7.444 8.131 9.706 1.00 1.92 ATOM 45 H LYS A 3 -9.062 4.159 6.327 1.00 1.49 H new ATOM 46 HA LYS A 3 -7.412 3.821 4.246 1.00 1.28 H new ATOM 47 HB2 LYS A 3 -6.380 5.644 5.034 1.00 1.20 H new ATOM 48 HB3 LYS A 3 -7.882 5.909 5.357 1.00 1.20 H new ATOM 49 HG2 LYS A 3 -7.280 4.799 7.559 1.00 0.89 H new ATOM 50 HG3 LYS A 3 -5.843 5.279 7.187 1.00 0.89 H new ATOM 51 HD2 LYS A 3 -6.385 7.474 7.400 1.00 1.22 H new ATOM 52 HD3 LYS A 3 -7.903 7.213 7.156 1.00 1.22 H new ATOM 53 HE2 LYS A 3 -8.157 6.292 9.289 1.00 1.34 H new ATOM 54 HE3 LYS A 3 -6.616 6.302 9.525 1.00 1.34 H new ATOM 55 HZ1 LYS A 3 -6.711 8.300 10.181 1.00 1.92 H new ATOM 56 HZ2 LYS A 3 -7.526 8.738 9.060 1.00 1.92 H new ATOM 57 HZ3 LYS A 3 -8.156 8.167 10.238 1.00 1.92 H new ATOM 58 N VAL A 4 -5.291 2.769 5.277 1.00 0.70 ATOM 59 CA VAL A 4 -4.392 1.668 5.546 1.00 0.44 ATOM 60 C VAL A 4 -3.533 2.030 6.749 1.00 0.41 ATOM 61 O VAL A 4 -2.648 2.869 6.609 1.00 0.40 ATOM 62 CB VAL A 4 -3.554 1.403 4.289 1.00 0.38 ATOM 63 CG1 VAL A 4 -2.479 0.352 4.569 1.00 0.54 ATOM 64 CG2 VAL A 4 -4.474 0.942 3.146 1.00 0.35 ATOM 65 H VAL A 4 -4.972 3.355 4.735 1.00 0.70 H new ATOM 66 HA VAL A 4 -4.874 0.854 5.758 1.00 0.44 H new ATOM 67 HB VAL A 4 -3.109 2.224 4.027 1.00 0.38 H new ATOM 68 HG11 VAL A 4 -1.960 0.198 3.764 1.00 0.54 H new ATOM 69 HG12 VAL A 4 -1.894 0.668 5.275 1.00 0.54 H new ATOM 70 HG13 VAL A 4 -2.901 -0.477 4.845 1.00 0.54 H new ATOM 71 HG21 VAL A 4 -3.944 0.774 2.351 1.00 0.35 H new ATOM 72 HG22 VAL A 4 -4.931 0.127 3.407 1.00 0.35 H new ATOM 73 HG23 VAL A 4 -5.128 1.633 2.958 1.00 0.35 H new ATOM 74 N LYS A 5 -3.792 1.406 7.901 1.00 0.46 ATOM 75 CA LYS A 5 -2.917 1.480 9.064 1.00 0.52 ATOM 76 C LYS A 5 -1.729 0.527 8.856 1.00 0.58 ATOM 77 O LYS A 5 -1.917 -0.598 8.393 1.00 0.73 ATOM 78 CB LYS A 5 -3.711 1.131 10.336 1.00 0.61 ATOM 79 CG LYS A 5 -4.791 2.182 10.666 1.00 0.58 ATOM 80 CD LYS A 5 -5.459 1.933 12.025 1.00 0.76 ATOM 81 CE LYS A 5 -6.255 0.622 12.058 1.00 1.36 ATOM 82 NZ LYS A 5 -7.011 0.489 13.315 1.00 1.53 ATOM 83 H LYS A 5 -4.492 0.922 8.026 1.00 0.46 H new ATOM 84 HA LYS A 5 -2.573 2.380 9.172 1.00 0.52 H new ATOM 85 HB2 LYS A 5 -4.131 0.264 10.223 1.00 0.61 H new ATOM 86 HB3 LYS A 5 -3.099 1.054 11.085 1.00 0.61 H new ATOM 87 HG2 LYS A 5 -4.390 3.065 10.663 1.00 0.58 H new ATOM 88 HG3 LYS A 5 -5.467 2.176 9.971 1.00 0.58 H new ATOM 89 HD2 LYS A 5 -4.780 1.913 12.717 1.00 0.76 H new ATOM 90 HD3 LYS A 5 -6.052 2.673 12.231 1.00 0.76 H new ATOM 91 HE2 LYS A 5 -6.866 0.593 11.305 1.00 1.36 H new ATOM 92 HE3 LYS A 5 -5.649 -0.129 11.961 1.00 1.36 H new ATOM 93 HZ1 LYS A 5 -7.463 -0.277 13.310 1.00 1.53 H new ATOM 94 HZ2 LYS A 5 -6.447 0.496 14.003 1.00 1.53 H new ATOM 95 HZ3 LYS A 5 -7.581 1.169 13.392 1.00 1.53 H new ATOM 96 N PHE A 6 -0.511 0.978 9.172 1.00 0.52 ATOM 97 CA PHE A 6 0.745 0.244 9.051 1.00 0.56 ATOM 98 C PHE A 6 1.825 1.003 9.847 1.00 0.56 ATOM 99 O PHE A 6 1.505 1.677 10.828 1.00 0.64 ATOM 100 CB PHE A 6 1.149 0.035 7.574 1.00 0.58 ATOM 101 CG PHE A 6 1.564 1.260 6.760 1.00 0.45 ATOM 102 CD1 PHE A 6 0.656 2.311 6.538 1.00 0.36 ATOM 103 CD2 PHE A 6 2.823 1.308 6.125 1.00 0.66 ATOM 104 CE1 PHE A 6 1.024 3.413 5.756 1.00 0.47 ATOM 105 CE2 PHE A 6 3.155 2.366 5.260 1.00 0.65 ATOM 106 CZ PHE A 6 2.257 3.432 5.090 1.00 0.53 ATOM 107 H PHE A 6 -0.393 1.771 9.482 1.00 0.52 H new ATOM 108 HA PHE A 6 0.640 -0.647 9.420 1.00 0.56 H new ATOM 109 HB2 PHE A 6 1.884 -0.597 7.554 1.00 0.58 H new ATOM 110 HB3 PHE A 6 0.402 -0.384 7.119 1.00 0.58 H new ATOM 111 HD1 PHE A 6 -0.194 2.274 6.913 1.00 0.36 H new ATOM 112 HD2 PHE A 6 3.441 0.631 6.280 1.00 0.66 H new ATOM 113 HE1 PHE A 6 0.446 4.137 5.678 1.00 0.47 H new ATOM 114 HE2 PHE A 6 3.965 2.360 4.803 1.00 0.65 H new ATOM 115 HZ PHE A 6 2.479 4.147 4.538 1.00 0.53 H new ATOM 116 N LYS A 7 3.093 0.928 9.423 1.00 0.57 ATOM 117 CA LYS A 7 4.252 1.500 10.097 1.00 0.62 ATOM 118 C LYS A 7 5.217 2.071 9.053 1.00 0.57 ATOM 119 O LYS A 7 5.468 1.409 8.045 1.00 0.58 ATOM 120 CB LYS A 7 4.911 0.435 10.989 1.00 0.78 ATOM 121 CG LYS A 7 5.353 -0.818 10.222 1.00 0.85 ATOM 122 CD LYS A 7 5.732 -1.893 11.241 1.00 1.22 ATOM 123 CE LYS A 7 6.358 -3.129 10.582 1.00 1.33 ATOM 124 NZ LYS A 7 5.468 -3.736 9.576 1.00 1.64 ATOM 125 H LYS A 7 3.304 0.520 8.696 1.00 0.57 H new ATOM 126 HA LYS A 7 3.982 2.231 10.675 1.00 0.62 H new ATOM 127 HB2 LYS A 7 5.682 0.825 11.429 1.00 0.78 H new ATOM 128 HB3 LYS A 7 4.288 0.176 11.685 1.00 0.78 H new ATOM 129 HG2 LYS A 7 4.637 -1.133 9.648 1.00 0.85 H new ATOM 130 HG3 LYS A 7 6.108 -0.615 9.648 1.00 0.85 H new ATOM 131 HD2 LYS A 7 6.357 -1.521 11.883 1.00 1.22 H new ATOM 132 HD3 LYS A 7 4.941 -2.159 11.736 1.00 1.22 H new ATOM 133 HE2 LYS A 7 7.196 -2.880 10.162 1.00 1.33 H new ATOM 134 HE3 LYS A 7 6.567 -3.786 11.264 1.00 1.33 H new ATOM 135 HZ1 LYS A 7 5.820 -4.502 9.292 1.00 1.64 H new ATOM 136 HZ2 LYS A 7 4.671 -3.893 9.940 1.00 1.64 H new ATOM 137 HZ3 LYS A 7 5.374 -3.180 8.888 1.00 1.64 H new ATOM 138 N TYR A 8 5.743 3.280 9.279 1.00 0.55 ATOM 139 CA TYR A 8 6.716 3.959 8.416 1.00 0.48 ATOM 140 C TYR A 8 7.275 5.164 9.190 1.00 0.52 ATOM 141 O TYR A 8 6.734 5.473 10.249 1.00 0.65 ATOM 142 CB TYR A 8 6.046 4.386 7.099 1.00 0.41 ATOM 143 CG TYR A 8 7.018 4.877 6.046 1.00 0.40 ATOM 144 CD1 TYR A 8 7.694 3.946 5.239 1.00 0.63 ATOM 145 CD2 TYR A 8 7.271 6.255 5.886 1.00 0.49 ATOM 146 CE1 TYR A 8 8.612 4.388 4.270 1.00 0.76 ATOM 147 CE2 TYR A 8 8.231 6.691 4.955 1.00 0.67 ATOM 148 CZ TYR A 8 8.886 5.758 4.131 1.00 0.75 ATOM 149 OH TYR A 8 9.704 6.176 3.126 1.00 1.00 ATOM 150 H TYR A 8 5.532 3.746 9.970 1.00 0.55 H new ATOM 151 HA TYR A 8 7.446 3.365 8.182 1.00 0.48 H new ATOM 152 HB2 TYR A 8 5.548 3.634 6.741 1.00 0.41 H new ATOM 153 HB3 TYR A 8 5.404 5.088 7.286 1.00 0.41 H new ATOM 154 HD1 TYR A 8 7.534 3.036 5.346 1.00 0.63 H new ATOM 155 HD2 TYR A 8 6.803 6.876 6.396 1.00 0.49 H new ATOM 156 HE1 TYR A 8 9.039 3.771 3.720 1.00 0.76 H new ATOM 157 HE2 TYR A 8 8.433 7.596 4.884 1.00 0.67 H new ATOM 158 HH TYR A 8 9.782 7.012 3.157 1.00 1.00 H new ATOM 159 N LYS A 9 8.344 5.832 8.715 1.00 0.48 ATOM 160 CA LYS A 9 8.980 6.978 9.369 1.00 0.56 ATOM 161 C LYS A 9 9.221 6.762 10.876 1.00 0.71 ATOM 162 O LYS A 9 9.270 7.707 11.657 1.00 0.84 ATOM 163 CB LYS A 9 8.287 8.295 8.947 1.00 0.67 ATOM 164 CG LYS A 9 6.805 8.489 9.316 1.00 0.81 ATOM 165 CD LYS A 9 6.652 8.735 10.815 1.00 0.99 ATOM 166 CE LYS A 9 5.360 9.482 11.175 1.00 1.26 ATOM 167 NZ LYS A 9 4.159 8.731 10.774 1.00 1.57 ATOM 168 H LYS A 9 8.727 5.616 7.976 1.00 0.48 H new ATOM 169 HA LYS A 9 9.890 7.067 9.045 1.00 0.56 H new ATOM 170 HB2 LYS A 9 8.787 9.030 9.334 1.00 0.67 H new ATOM 171 HB3 LYS A 9 8.365 8.375 7.983 1.00 0.67 H new ATOM 172 HG2 LYS A 9 6.439 9.239 8.821 1.00 0.81 H new ATOM 173 HG3 LYS A 9 6.297 7.704 9.059 1.00 0.81 H new ATOM 174 HD2 LYS A 9 6.667 7.884 11.280 1.00 0.99 H new ATOM 175 HD3 LYS A 9 7.413 9.245 11.133 1.00 0.99 H new ATOM 176 HE2 LYS A 9 5.336 9.642 12.131 1.00 1.26 H new ATOM 177 HE3 LYS A 9 5.358 10.350 10.742 1.00 1.26 H new ATOM 178 HZ1 LYS A 9 3.436 9.125 11.111 1.00 1.57 H new ATOM 179 HZ2 LYS A 9 4.101 8.715 9.886 1.00 1.57 H new ATOM 180 HZ3 LYS A 9 4.213 7.898 11.083 1.00 1.57 H new ATOM 181 N GLY A 10 9.426 5.502 11.277 1.00 0.75 ATOM 182 CA GLY A 10 9.636 5.119 12.663 1.00 0.97 ATOM 183 C GLY A 10 8.428 5.416 13.556 1.00 1.10 ATOM 184 O GLY A 10 8.608 5.711 14.734 1.00 1.28 ATOM 185 H GLY A 10 9.446 4.837 10.732 1.00 0.75 H new ATOM 186 HA2 GLY A 10 9.837 4.171 12.704 1.00 0.97 H new ATOM 187 HA3 GLY A 10 10.411 5.589 13.009 1.00 0.97 H new ATOM 188 N GLU A 11 7.202 5.311 13.031 1.00 1.03 ATOM 189 CA GLU A 11 5.982 5.451 13.822 1.00 1.18 ATOM 190 C GLU A 11 4.874 4.624 13.150 1.00 0.91 ATOM 191 O GLU A 11 5.105 4.005 12.107 1.00 0.86 ATOM 192 CB GLU A 11 5.601 6.942 13.911 1.00 1.37 ATOM 193 CG GLU A 11 5.077 7.346 15.294 1.00 1.99 ATOM 194 CD GLU A 11 4.558 8.781 15.274 1.00 2.57 ATOM 195 OE1 GLU A 11 5.408 9.691 15.184 1.00 3.42 ATOM 196 OE2 GLU A 11 3.319 8.937 15.330 1.00 2.59 ATOM 197 H GLU A 11 7.058 5.155 12.198 1.00 1.03 H new ATOM 198 HA GLU A 11 6.112 5.124 14.726 1.00 1.18 H new ATOM 199 HB2 GLU A 11 6.377 7.482 13.694 1.00 1.37 H new ATOM 200 HB3 GLU A 11 4.924 7.138 13.244 1.00 1.37 H new ATOM 201 HG2 GLU A 11 4.367 6.744 15.565 1.00 1.99 H new ATOM 202 HG3 GLU A 11 5.786 7.262 15.951 1.00 1.99 H new ATOM 203 N GLU A 12 3.664 4.642 13.725 1.00 0.80 ATOM 204 CA GLU A 12 2.481 4.104 13.068 1.00 0.67 ATOM 205 C GLU A 12 2.141 5.063 11.928 1.00 0.64 ATOM 206 O GLU A 12 2.413 6.260 12.033 1.00 0.86 ATOM 207 CB GLU A 12 1.335 3.960 14.091 1.00 0.69 ATOM 208 CG GLU A 12 0.180 3.048 13.636 1.00 0.83 ATOM 209 CD GLU A 12 -0.739 3.659 12.577 1.00 1.14 ATOM 210 OE1 GLU A 12 -0.941 4.891 12.630 1.00 1.30 ATOM 211 OE2 GLU A 12 -1.238 2.875 11.740 1.00 1.51 ATOM 212 H GLU A 12 3.514 4.968 14.507 1.00 0.80 H new ATOM 213 HA GLU A 12 2.631 3.217 12.706 1.00 0.67 H new ATOM 214 HB2 GLU A 12 1.699 3.612 14.920 1.00 0.69 H new ATOM 215 HB3 GLU A 12 0.978 4.841 14.286 1.00 0.69 H new ATOM 216 HG2 GLU A 12 0.554 2.224 13.286 1.00 0.83 H new ATOM 217 HG3 GLU A 12 -0.353 2.811 14.411 1.00 0.83 H new ATOM 218 N LYS A 13 1.583 4.548 10.832 1.00 0.56 ATOM 219 CA LYS A 13 1.251 5.339 9.674 1.00 0.57 ATOM 220 C LYS A 13 -0.093 4.897 9.110 1.00 0.56 ATOM 221 O LYS A 13 -0.381 3.707 9.071 1.00 0.56 ATOM 222 CB LYS A 13 2.428 5.245 8.685 1.00 0.65 ATOM 223 CG LYS A 13 2.783 6.643 8.229 1.00 0.50 ATOM 224 CD LYS A 13 2.010 7.139 7.001 1.00 0.84 ATOM 225 CE LYS A 13 2.830 8.235 6.300 1.00 1.15 ATOM 226 NZ LYS A 13 2.120 8.785 5.132 1.00 1.56 ATOM 227 H LYS A 13 1.388 3.715 10.750 1.00 0.56 H new ATOM 228 HA LYS A 13 1.134 6.277 9.892 1.00 0.57 H new ATOM 229 HB2 LYS A 13 3.192 4.824 9.109 1.00 0.65 H new ATOM 230 HB3 LYS A 13 2.186 4.693 7.925 1.00 0.65 H new ATOM 231 HG2 LYS A 13 2.627 7.258 8.963 1.00 0.50 H new ATOM 232 HG3 LYS A 13 3.732 6.673 8.031 1.00 0.50 H new ATOM 233 HD2 LYS A 13 1.843 6.404 6.391 1.00 0.84 H new ATOM 234 HD3 LYS A 13 1.145 7.487 7.268 1.00 0.84 H new ATOM 235 HE2 LYS A 13 3.020 8.949 6.929 1.00 1.15 H new ATOM 236 HE3 LYS A 13 3.683 7.870 6.018 1.00 1.15 H new ATOM 237 HZ1 LYS A 13 2.620 9.415 4.750 1.00 1.56 H new ATOM 238 HZ2 LYS A 13 1.964 8.134 4.545 1.00 1.56 H new ATOM 239 HZ3 LYS A 13 1.347 9.139 5.394 1.00 1.56 H new ATOM 240 N GLU A 14 -0.919 5.867 8.719 1.00 0.56 ATOM 241 CA GLU A 14 -2.246 5.683 8.143 1.00 0.51 ATOM 242 C GLU A 14 -2.153 6.294 6.741 1.00 0.55 ATOM 243 O GLU A 14 -1.704 7.436 6.636 1.00 0.83 ATOM 244 CB GLU A 14 -3.278 6.460 8.977 1.00 0.61 ATOM 245 CG GLU A 14 -3.106 6.343 10.504 1.00 0.90 ATOM 246 CD GLU A 14 -4.365 6.809 11.224 1.00 1.01 ATOM 247 OE1 GLU A 14 -4.654 8.022 11.129 1.00 1.40 ATOM 248 OE2 GLU A 14 -5.038 5.943 11.824 1.00 1.53 ATOM 249 H GLU A 14 -0.705 6.697 8.788 1.00 0.56 H new ATOM 250 HA GLU A 14 -2.517 4.752 8.123 1.00 0.51 H new ATOM 251 HB2 GLU A 14 -3.232 7.397 8.731 1.00 0.61 H new ATOM 252 HB3 GLU A 14 -4.165 6.148 8.741 1.00 0.61 H new ATOM 253 HG2 GLU A 14 -2.913 5.423 10.743 1.00 0.90 H new ATOM 254 HG3 GLU A 14 -2.348 6.876 10.791 1.00 0.90 H new ATOM 255 N VAL A 15 -2.541 5.576 5.684 1.00 0.61 ATOM 256 CA VAL A 15 -2.509 6.102 4.318 1.00 0.69 ATOM 257 C VAL A 15 -3.842 5.940 3.600 1.00 0.82 ATOM 258 O VAL A 15 -4.455 4.877 3.666 1.00 0.81 ATOM 259 CB VAL A 15 -1.334 5.499 3.528 1.00 0.60 ATOM 260 CG1 VAL A 15 -1.691 4.718 2.272 1.00 0.45 ATOM 261 CG2 VAL A 15 -0.343 6.595 3.196 1.00 0.72 ATOM 262 H VAL A 15 -2.831 4.768 5.740 1.00 0.61 H new ATOM 263 HA VAL A 15 -2.360 7.059 4.376 1.00 0.69 H new ATOM 264 HB VAL A 15 -0.952 4.830 4.118 1.00 0.60 H new ATOM 265 HG11 VAL A 15 -0.880 4.385 1.856 1.00 0.45 H new ATOM 266 HG12 VAL A 15 -2.263 3.971 2.507 1.00 0.45 H new ATOM 267 HG13 VAL A 15 -2.157 5.299 1.651 1.00 0.45 H new ATOM 268 HG21 VAL A 15 0.400 6.220 2.698 1.00 0.72 H new ATOM 269 HG22 VAL A 15 -0.780 7.275 2.660 1.00 0.72 H new ATOM 270 HG23 VAL A 15 -0.013 6.993 4.017 1.00 0.72 H new ATOM 271 N ASP A 16 -4.275 6.988 2.893 1.00 1.07 ATOM 272 CA ASP A 16 -5.487 6.958 2.096 1.00 1.14 ATOM 273 C ASP A 16 -5.145 6.496 0.689 1.00 0.80 ATOM 274 O ASP A 16 -4.064 6.777 0.174 1.00 0.50 ATOM 275 CB ASP A 16 -6.107 8.356 2.035 1.00 1.19 ATOM 276 CG ASP A 16 -7.475 8.301 1.366 1.00 1.22 ATOM 277 OD1 ASP A 16 -8.437 7.925 2.068 1.00 1.81 ATOM 278 OD2 ASP A 16 -7.518 8.611 0.155 1.00 1.48 ATOM 279 H ASP A 16 -3.862 7.742 2.868 1.00 1.07 H new ATOM 280 HA ASP A 16 -6.123 6.347 2.500 1.00 1.14 H new ATOM 281 HB2 ASP A 16 -6.193 8.718 2.931 1.00 1.19 H new ATOM 282 HB3 ASP A 16 -5.523 8.954 1.542 1.00 1.19 H new ATOM 283 N THR A 17 -6.109 5.854 0.047 1.00 1.03 ATOM 284 CA THR A 17 -6.053 5.412 -1.333 1.00 1.19 ATOM 285 C THR A 17 -5.583 6.483 -2.304 1.00 1.01 ATOM 286 O THR A 17 -4.855 6.152 -3.236 1.00 1.32 ATOM 287 CB THR A 17 -7.442 4.905 -1.737 1.00 1.60 ATOM 288 OG1 THR A 17 -8.408 5.292 -0.768 1.00 2.00 ATOM 289 CG2 THR A 17 -7.454 3.382 -1.861 1.00 1.55 ATOM 290 H THR A 17 -6.854 5.654 0.427 1.00 1.03 H new ATOM 291 HA THR A 17 -5.391 4.705 -1.384 1.00 1.19 H new ATOM 292 HB THR A 17 -7.660 5.297 -2.597 1.00 1.60 H new ATOM 293 HG1 THR A 17 -9.165 5.011 -0.999 1.00 2.00 H new ATOM 294 HG21 THR A 17 -8.341 3.085 -2.117 1.00 1.55 H new ATOM 295 HG22 THR A 17 -6.814 3.107 -2.536 1.00 1.55 H new ATOM 296 HG23 THR A 17 -7.214 2.986 -1.009 1.00 1.55 H new ATOM 297 N SER A 18 -5.972 7.744 -2.090 1.00 0.78 ATOM 298 CA SER A 18 -5.512 8.853 -2.916 1.00 1.12 ATOM 299 C SER A 18 -3.987 8.802 -3.094 1.00 1.14 ATOM 300 O SER A 18 -3.483 9.210 -4.137 1.00 1.56 ATOM 301 CB SER A 18 -5.934 10.190 -2.284 1.00 1.21 ATOM 302 OG SER A 18 -5.615 10.219 -0.907 1.00 1.00 ATOM 303 H SER A 18 -6.510 7.975 -1.460 1.00 0.78 H new ATOM 304 HA SER A 18 -5.921 8.777 -3.792 1.00 1.12 H new ATOM 305 HB2 SER A 18 -5.489 10.922 -2.739 1.00 1.21 H new ATOM 306 HB3 SER A 18 -6.888 10.321 -2.402 1.00 1.21 H new ATOM 307 HG SER A 18 -6.184 9.775 -0.478 1.00 1.00 H new ATOM 308 N LYS A 19 -3.255 8.306 -2.086 1.00 0.72 ATOM 309 CA LYS A 19 -1.809 8.227 -2.106 1.00 0.69 ATOM 310 C LYS A 19 -1.248 6.857 -2.528 1.00 0.52 ATOM 311 O LYS A 19 -0.037 6.756 -2.698 1.00 0.84 ATOM 312 CB LYS A 19 -1.309 8.586 -0.703 1.00 0.80 ATOM 313 CG LYS A 19 -1.781 9.981 -0.270 1.00 1.13 ATOM 314 CD LYS A 19 -1.133 10.374 1.062 1.00 1.28 ATOM 315 CE LYS A 19 -1.541 11.794 1.462 1.00 1.48 ATOM 316 NZ LYS A 19 -0.862 12.216 2.701 1.00 1.76 ATOM 317 H LYS A 19 -3.604 8.002 -1.361 1.00 0.72 H new ATOM 318 HA LYS A 19 -1.492 8.847 -2.782 1.00 0.69 H new ATOM 319 HB2 LYS A 19 -1.626 7.925 -0.068 1.00 0.80 H new ATOM 320 HB3 LYS A 19 -0.340 8.553 -0.687 1.00 0.80 H new ATOM 321 HG2 LYS A 19 -1.553 10.632 -0.952 1.00 1.13 H new ATOM 322 HG3 LYS A 19 -2.747 9.989 -0.181 1.00 1.13 H new ATOM 323 HD2 LYS A 19 -1.400 9.749 1.754 1.00 1.28 H new ATOM 324 HD3 LYS A 19 -0.168 10.319 0.986 1.00 1.28 H new ATOM 325 HE2 LYS A 19 -1.323 12.410 0.745 1.00 1.48 H new ATOM 326 HE3 LYS A 19 -2.502 11.834 1.587 1.00 1.48 H new ATOM 327 HZ1 LYS A 19 -1.115 13.043 2.912 1.00 1.76 H new ATOM 328 HZ2 LYS A 19 -1.079 11.662 3.363 1.00 1.76 H new ATOM 329 HZ3 LYS A 19 0.019 12.199 2.578 1.00 1.76 H new ATOM 330 N ILE A 20 -2.035 5.777 -2.647 1.00 0.42 ATOM 331 CA ILE A 20 -1.438 4.454 -2.859 1.00 0.35 ATOM 332 C ILE A 20 -1.001 4.261 -4.314 1.00 0.46 ATOM 333 O ILE A 20 -1.728 4.609 -5.242 1.00 0.63 ATOM 334 CB ILE A 20 -2.290 3.311 -2.279 1.00 0.32 ATOM 335 CG1 ILE A 20 -2.490 3.576 -0.778 1.00 0.29 ATOM 336 CG2 ILE A 20 -1.552 1.977 -2.429 1.00 0.35 ATOM 337 CD1 ILE A 20 -3.014 2.359 -0.008 1.00 0.42 ATOM 338 H ILE A 20 -2.894 5.789 -2.609 1.00 0.42 H new ATOM 339 HA ILE A 20 -0.620 4.414 -2.340 1.00 0.35 H new ATOM 340 HB ILE A 20 -3.138 3.270 -2.749 1.00 0.32 H new ATOM 341 HG12 ILE A 20 -1.646 3.856 -0.391 1.00 0.29 H new ATOM 342 HG13 ILE A 20 -3.111 4.313 -0.667 1.00 0.29 H new ATOM 343 HG21 ILE A 20 -2.096 1.263 -2.061 1.00 0.35 H new ATOM 344 HG22 ILE A 20 -1.384 1.804 -3.369 1.00 0.35 H new ATOM 345 HG23 ILE A 20 -0.708 2.018 -1.952 1.00 0.35 H new ATOM 346 HD11 ILE A 20 -3.119 2.589 0.929 1.00 0.42 H new ATOM 347 HD12 ILE A 20 -3.872 2.090 -0.372 1.00 0.42 H new ATOM 348 HD13 ILE A 20 -2.384 1.627 -0.092 1.00 0.42 H new ATOM 349 N LYS A 21 0.218 3.735 -4.495 1.00 0.36 ATOM 350 CA LYS A 21 0.942 3.690 -5.756 1.00 0.39 ATOM 351 C LYS A 21 0.911 2.276 -6.347 1.00 0.40 ATOM 352 O LYS A 21 0.756 2.118 -7.557 1.00 0.45 ATOM 353 CB LYS A 21 2.383 4.153 -5.459 1.00 0.42 ATOM 354 CG LYS A 21 3.305 4.350 -6.668 1.00 0.56 ATOM 355 CD LYS A 21 3.001 5.662 -7.406 1.00 0.83 ATOM 356 CE LYS A 21 2.654 5.395 -8.874 1.00 1.51 ATOM 357 NZ LYS A 21 2.433 6.653 -9.608 1.00 1.91 ATOM 358 H LYS A 21 0.660 3.379 -3.849 1.00 0.36 H new ATOM 359 HA LYS A 21 0.533 4.270 -6.417 1.00 0.39 H new ATOM 360 HB2 LYS A 21 2.338 4.991 -4.973 1.00 0.42 H new ATOM 361 HB3 LYS A 21 2.794 3.504 -4.867 1.00 0.42 H new ATOM 362 HG2 LYS A 21 4.229 4.351 -6.374 1.00 0.56 H new ATOM 363 HG3 LYS A 21 3.202 3.603 -7.279 1.00 0.56 H new ATOM 364 HD2 LYS A 21 2.262 6.118 -6.973 1.00 0.83 H new ATOM 365 HD3 LYS A 21 3.769 6.253 -7.353 1.00 0.83 H new ATOM 366 HE2 LYS A 21 3.372 4.895 -9.293 1.00 1.51 H new ATOM 367 HE3 LYS A 21 1.858 4.844 -8.925 1.00 1.51 H new ATOM 368 HZ1 LYS A 21 2.233 6.471 -10.456 1.00 1.91 H new ATOM 369 HZ2 LYS A 21 1.760 7.100 -9.235 1.00 1.91 H new ATOM 370 HZ3 LYS A 21 3.172 7.149 -9.577 1.00 1.91 H new ATOM 371 N LYS A 22 1.064 1.248 -5.505 1.00 0.37 ATOM 372 CA LYS A 22 1.076 -0.151 -5.929 1.00 0.36 ATOM 373 C LYS A 22 0.814 -1.007 -4.696 1.00 0.33 ATOM 374 O LYS A 22 1.203 -0.602 -3.602 1.00 0.31 ATOM 375 CB LYS A 22 2.461 -0.518 -6.499 1.00 0.35 ATOM 376 CG LYS A 22 2.490 -1.247 -7.843 1.00 0.47 ATOM 377 CD LYS A 22 1.636 -2.518 -7.918 1.00 0.63 ATOM 378 CE LYS A 22 1.993 -3.273 -9.205 1.00 0.97 ATOM 379 NZ LYS A 22 1.002 -4.319 -9.511 1.00 1.91 ATOM 380 H LYS A 22 1.165 1.350 -4.657 1.00 0.37 H new ATOM 381 HA LYS A 22 0.404 -0.298 -6.612 1.00 0.36 H new ATOM 382 HB2 LYS A 22 2.976 0.299 -6.589 1.00 0.35 H new ATOM 383 HB3 LYS A 22 2.918 -1.071 -5.846 1.00 0.35 H new ATOM 384 HG2 LYS A 22 2.192 -0.634 -8.533 1.00 0.47 H new ATOM 385 HG3 LYS A 22 3.409 -1.480 -8.048 1.00 0.47 H new ATOM 386 HD2 LYS A 22 1.798 -3.078 -7.143 1.00 0.63 H new ATOM 387 HD3 LYS A 22 0.693 -2.291 -7.912 1.00 0.63 H new ATOM 388 HE2 LYS A 22 2.044 -2.648 -9.945 1.00 0.97 H new ATOM 389 HE3 LYS A 22 2.871 -3.675 -9.113 1.00 0.97 H new ATOM 390 HZ1 LYS A 22 1.235 -4.739 -10.261 1.00 1.91 H new ATOM 391 HZ2 LYS A 22 0.971 -4.904 -8.841 1.00 1.91 H new ATOM 392 HZ3 LYS A 22 0.200 -3.947 -9.617 1.00 1.91 H new ATOM 393 N VAL A 23 0.237 -2.200 -4.868 1.00 0.34 ATOM 394 CA VAL A 23 0.200 -3.239 -3.848 1.00 0.33 ATOM 395 C VAL A 23 0.396 -4.593 -4.543 1.00 0.36 ATOM 396 O VAL A 23 -0.085 -4.772 -5.662 1.00 0.40 ATOM 397 CB VAL A 23 -1.079 -3.103 -2.999 1.00 0.33 ATOM 398 CG1 VAL A 23 -2.365 -3.389 -3.787 1.00 0.35 ATOM 399 CG2 VAL A 23 -1.050 -3.964 -1.727 1.00 0.40 ATOM 400 H VAL A 23 -0.152 -2.428 -5.601 1.00 0.34 H new ATOM 401 HA VAL A 23 0.922 -3.153 -3.206 1.00 0.33 H new ATOM 402 HB VAL A 23 -1.091 -2.170 -2.735 1.00 0.33 H new ATOM 403 HG11 VAL A 23 -3.132 -3.288 -3.202 1.00 0.35 H new ATOM 404 HG12 VAL A 23 -2.438 -2.765 -4.526 1.00 0.35 H new ATOM 405 HG13 VAL A 23 -2.339 -4.295 -4.132 1.00 0.35 H new ATOM 406 HG21 VAL A 23 -1.876 -3.840 -1.233 1.00 0.40 H new ATOM 407 HG22 VAL A 23 -0.956 -4.898 -1.970 1.00 0.40 H new ATOM 408 HG23 VAL A 23 -0.300 -3.698 -1.173 1.00 0.40 H new ATOM 409 N TRP A 24 1.157 -5.505 -3.931 1.00 0.35 ATOM 410 CA TRP A 24 1.470 -6.827 -4.443 1.00 0.36 ATOM 411 C TRP A 24 1.840 -7.711 -3.246 1.00 0.38 ATOM 412 O TRP A 24 1.960 -7.207 -2.129 1.00 0.42 ATOM 413 CB TRP A 24 2.607 -6.775 -5.485 1.00 0.38 ATOM 414 CG TRP A 24 3.989 -6.453 -4.986 1.00 0.38 ATOM 415 CD1 TRP A 24 4.990 -7.350 -4.847 1.00 0.48 ATOM 416 CD2 TRP A 24 4.562 -5.171 -4.579 1.00 0.35 ATOM 417 NE1 TRP A 24 6.100 -6.747 -4.311 1.00 0.52 ATOM 418 CE2 TRP A 24 5.895 -5.400 -4.119 1.00 0.43 ATOM 419 CE3 TRP A 24 4.111 -3.835 -4.571 1.00 0.32 ATOM 420 CZ2 TRP A 24 6.706 -4.376 -3.614 1.00 0.44 ATOM 421 CZ3 TRP A 24 4.912 -2.802 -4.058 1.00 0.30 ATOM 422 CH2 TRP A 24 6.196 -3.073 -3.550 1.00 0.35 ATOM 423 H TRP A 24 1.520 -5.354 -3.166 1.00 0.35 H new ATOM 424 HA TRP A 24 0.702 -7.198 -4.905 1.00 0.36 H new ATOM 425 HB2 TRP A 24 2.643 -7.635 -5.933 1.00 0.38 H new ATOM 426 HB3 TRP A 24 2.369 -6.116 -6.155 1.00 0.38 H new ATOM 427 HD1 TRP A 24 4.935 -8.248 -5.081 1.00 0.48 H new ATOM 428 HE1 TRP A 24 6.831 -7.158 -4.120 1.00 0.52 H new ATOM 429 HE3 TRP A 24 3.269 -3.635 -4.911 1.00 0.32 H new ATOM 430 HZ2 TRP A 24 7.571 -4.559 -3.325 1.00 0.44 H new ATOM 431 HZ3 TRP A 24 4.590 -1.929 -4.054 1.00 0.30 H new ATOM 432 HH2 TRP A 24 6.703 -2.390 -3.174 1.00 0.35 H new ATOM 433 N ARG A 25 2.031 -9.012 -3.473 1.00 0.40 ATOM 434 CA ARG A 25 2.558 -9.934 -2.473 1.00 0.46 ATOM 435 C ARG A 25 4.073 -10.042 -2.629 1.00 0.46 ATOM 436 O ARG A 25 4.533 -10.629 -3.610 1.00 0.60 ATOM 437 CB ARG A 25 1.932 -11.331 -2.664 1.00 0.60 ATOM 438 CG ARG A 25 0.738 -11.588 -1.745 1.00 0.80 ATOM 439 CD ARG A 25 1.199 -11.822 -0.299 1.00 1.00 ATOM 440 NE ARG A 25 0.048 -11.999 0.585 1.00 1.36 ATOM 441 CZ ARG A 25 -0.643 -13.141 0.723 1.00 1.59 ATOM 442 NH1 ARG A 25 -0.169 -14.294 0.234 1.00 1.89 ATOM 443 NH2 ARG A 25 -1.827 -13.120 1.337 1.00 2.22 ATOM 444 H ARG A 25 1.854 -9.387 -4.226 1.00 0.40 H new ATOM 445 HA ARG A 25 2.340 -9.600 -1.589 1.00 0.46 H new ATOM 446 HB2 ARG A 25 1.649 -11.429 -3.587 1.00 0.60 H new ATOM 447 HB3 ARG A 25 2.609 -12.007 -2.502 1.00 0.60 H new ATOM 448 HG2 ARG A 25 0.132 -10.831 -1.777 1.00 0.80 H new ATOM 449 HG3 ARG A 25 0.243 -12.361 -2.060 1.00 0.80 H new ATOM 450 HD2 ARG A 25 1.768 -12.606 -0.258 1.00 1.00 H new ATOM 451 HD3 ARG A 25 1.732 -11.069 0.002 1.00 1.00 H new ATOM 452 HE ARG A 25 -0.205 -11.322 1.051 1.00 1.36 H new ATOM 453 HH11 ARG A 25 0.588 -14.309 -0.175 1.00 1.89 H new ATOM 454 HH12 ARG A 25 -0.621 -15.019 0.329 1.00 1.89 H new ATOM 455 HH21 ARG A 25 -2.141 -12.379 1.640 1.00 2.22 H new ATOM 456 HH22 ARG A 25 -2.276 -13.847 1.430 1.00 2.22 H new ATOM 457 N VAL A 26 4.859 -9.575 -1.653 1.00 0.51 ATOM 458 CA VAL A 26 6.259 -9.971 -1.573 1.00 0.53 ATOM 459 C VAL A 26 6.310 -11.374 -0.967 1.00 0.59 ATOM 460 O VAL A 26 6.679 -11.571 0.191 1.00 0.63 ATOM 461 CB VAL A 26 7.139 -8.897 -0.894 1.00 0.52 ATOM 462 CG1 VAL A 26 6.863 -8.632 0.592 1.00 0.51 ATOM 463 CG2 VAL A 26 8.623 -9.237 -1.088 1.00 0.62 ATOM 464 H VAL A 26 4.600 -9.034 -1.036 1.00 0.51 H new ATOM 465 HA VAL A 26 6.663 -10.026 -2.453 1.00 0.53 H new ATOM 466 HB VAL A 26 6.897 -8.071 -1.341 1.00 0.52 H new ATOM 467 HG11 VAL A 26 7.467 -7.945 0.916 1.00 0.51 H new ATOM 468 HG12 VAL A 26 5.946 -8.335 0.703 1.00 0.51 H new ATOM 469 HG13 VAL A 26 7.001 -9.448 1.098 1.00 0.51 H new ATOM 470 HG21 VAL A 26 9.169 -8.559 -0.660 1.00 0.62 H new ATOM 471 HG22 VAL A 26 8.812 -10.102 -0.691 1.00 0.62 H new ATOM 472 HG23 VAL A 26 8.828 -9.265 -2.036 1.00 0.62 H new ATOM 473 N GLY A 27 5.910 -12.368 -1.769 1.00 0.93 ATOM 474 CA GLY A 27 5.929 -13.759 -1.356 1.00 1.11 ATOM 475 C GLY A 27 4.996 -14.002 -0.171 1.00 0.80 ATOM 476 O GLY A 27 3.821 -14.316 -0.349 1.00 0.89 ATOM 477 H GLY A 27 5.620 -12.245 -2.569 1.00 0.93 H new ATOM 478 HA2 GLY A 27 5.664 -14.322 -2.100 1.00 1.11 H new ATOM 479 HA3 GLY A 27 6.833 -14.014 -1.115 1.00 1.11 H new ATOM 480 N LYS A 28 5.544 -13.866 1.036 1.00 0.74 ATOM 481 CA LYS A 28 4.840 -14.051 2.289 1.00 0.71 ATOM 482 C LYS A 28 3.999 -12.821 2.634 1.00 0.62 ATOM 483 O LYS A 28 2.889 -12.965 3.138 1.00 0.78 ATOM 484 CB LYS A 28 5.850 -14.314 3.415 1.00 1.18 ATOM 485 CG LYS A 28 6.820 -15.454 3.083 1.00 1.67 ATOM 486 CD LYS A 28 7.763 -15.696 4.266 1.00 2.57 ATOM 487 CE LYS A 28 8.884 -16.660 3.864 1.00 3.26 ATOM 488 NZ LYS A 28 9.811 -16.899 4.983 1.00 3.79 ATOM 489 H LYS A 28 6.371 -13.655 1.145 1.00 0.74 H new ATOM 490 HA LYS A 28 4.246 -14.812 2.195 1.00 0.71 H new ATOM 491 HB2 LYS A 28 6.355 -13.504 3.587 1.00 1.18 H new ATOM 492 HB3 LYS A 28 5.371 -14.529 4.231 1.00 1.18 H new ATOM 493 HG2 LYS A 28 6.324 -16.263 2.883 1.00 1.67 H new ATOM 494 HG3 LYS A 28 7.333 -15.233 2.290 1.00 1.67 H new ATOM 495 HD2 LYS A 28 8.143 -14.854 4.562 1.00 2.57 H new ATOM 496 HD3 LYS A 28 7.266 -16.062 5.014 1.00 2.57 H new ATOM 497 HE2 LYS A 28 8.500 -17.502 3.573 1.00 3.26 H new ATOM 498 HE3 LYS A 28 9.372 -16.295 3.109 1.00 3.26 H new ATOM 499 HZ1 LYS A 28 10.451 -17.461 4.724 1.00 3.79 H new ATOM 500 HZ2 LYS A 28 10.178 -16.128 5.235 1.00 3.79 H new ATOM 501 HZ3 LYS A 28 9.366 -17.253 5.667 1.00 3.79 H new ATOM 502 N MET A 29 4.555 -11.618 2.440 1.00 0.54 ATOM 503 CA MET A 29 3.996 -10.407 3.034 1.00 0.48 ATOM 504 C MET A 29 3.268 -9.559 2.000 1.00 0.42 ATOM 505 O MET A 29 3.608 -9.571 0.817 1.00 0.42 ATOM 506 CB MET A 29 5.092 -9.627 3.768 1.00 0.45 ATOM 507 CG MET A 29 5.185 -10.121 5.220 1.00 0.50 ATOM 508 SD MET A 29 6.461 -9.338 6.239 1.00 0.54 ATOM 509 CE MET A 29 5.994 -7.608 6.032 1.00 0.52 ATOM 510 H MET A 29 5.260 -11.487 1.965 1.00 0.54 H new ATOM 511 HA MET A 29 3.327 -10.662 3.689 1.00 0.48 H new ATOM 512 HB2 MET A 29 5.944 -9.747 3.320 1.00 0.45 H new ATOM 513 HB3 MET A 29 4.894 -8.678 3.751 1.00 0.45 H new ATOM 514 HG2 MET A 29 4.325 -9.983 5.646 1.00 0.50 H new ATOM 515 HG3 MET A 29 5.346 -11.077 5.209 1.00 0.50 H new ATOM 516 HE1 MET A 29 6.604 -7.046 6.535 1.00 0.52 H new ATOM 517 HE2 MET A 29 6.037 -7.371 5.092 1.00 0.52 H new ATOM 518 HE3 MET A 29 5.090 -7.475 6.358 1.00 0.52 H new ATOM 519 N VAL A 30 2.273 -8.795 2.458 1.00 0.40 ATOM 520 CA VAL A 30 1.611 -7.814 1.624 1.00 0.37 ATOM 521 C VAL A 30 2.556 -6.627 1.586 1.00 0.39 ATOM 522 O VAL A 30 2.929 -6.118 2.641 1.00 0.43 ATOM 523 CB VAL A 30 0.237 -7.432 2.205 1.00 0.39 ATOM 524 CG1 VAL A 30 -0.339 -6.213 1.464 1.00 0.40 ATOM 525 CG2 VAL A 30 -0.705 -8.637 2.118 1.00 0.41 ATOM 526 H VAL A 30 1.969 -8.837 3.261 1.00 0.40 H new ATOM 527 HA VAL A 30 1.431 -8.152 0.733 1.00 0.37 H new ATOM 528 HB VAL A 30 0.336 -7.185 3.138 1.00 0.39 H new ATOM 529 HG11 VAL A 30 -1.203 -5.984 1.840 1.00 0.40 H new ATOM 530 HG12 VAL A 30 0.265 -5.460 1.561 1.00 0.40 H new ATOM 531 HG13 VAL A 30 -0.442 -6.425 0.523 1.00 0.40 H new ATOM 532 HG21 VAL A 30 -1.571 -8.398 2.484 1.00 0.41 H new ATOM 533 HG22 VAL A 30 -0.808 -8.901 1.190 1.00 0.41 H new ATOM 534 HG23 VAL A 30 -0.333 -9.376 2.625 1.00 0.41 H new ATOM 535 N SER A 31 2.956 -6.230 0.382 1.00 0.46 ATOM 536 CA SER A 31 3.898 -5.166 0.102 1.00 0.41 ATOM 537 C SER A 31 3.172 -4.111 -0.729 1.00 0.30 ATOM 538 O SER A 31 2.490 -4.478 -1.684 1.00 0.30 ATOM 539 CB SER A 31 5.042 -5.762 -0.723 1.00 0.46 ATOM 540 OG SER A 31 4.547 -6.695 -1.661 1.00 0.46 ATOM 541 H SER A 31 2.663 -6.602 -0.336 1.00 0.46 H new ATOM 542 HA SER A 31 4.245 -4.770 0.917 1.00 0.41 H new ATOM 543 HB2 SER A 31 5.517 -5.054 -1.184 1.00 0.46 H new ATOM 544 HB3 SER A 31 5.680 -6.195 -0.135 1.00 0.46 H new ATOM 545 HG SER A 31 4.800 -6.478 -2.432 1.00 0.46 H new ATOM 546 N PHE A 32 3.321 -2.825 -0.416 1.00 0.30 ATOM 547 CA PHE A 32 2.816 -1.746 -1.247 1.00 0.27 ATOM 548 C PHE A 32 3.860 -0.665 -1.357 1.00 0.25 ATOM 549 O PHE A 32 4.756 -0.570 -0.521 1.00 0.31 ATOM 550 CB PHE A 32 1.515 -1.146 -0.710 1.00 0.36 ATOM 551 CG PHE A 32 1.433 -0.913 0.779 1.00 0.27 ATOM 552 CD1 PHE A 32 1.149 -2.003 1.617 1.00 0.47 ATOM 553 CD2 PHE A 32 1.354 0.398 1.278 1.00 0.31 ATOM 554 CE1 PHE A 32 0.786 -1.785 2.949 1.00 0.55 ATOM 555 CE2 PHE A 32 0.940 0.621 2.602 1.00 0.33 ATOM 556 CZ PHE A 32 0.688 -0.477 3.444 1.00 0.42 ATOM 557 H PHE A 32 3.724 -2.556 0.295 1.00 0.30 H new ATOM 558 HA PHE A 32 2.621 -2.122 -2.119 1.00 0.27 H new ATOM 559 HB2 PHE A 32 1.367 -0.298 -1.157 1.00 0.36 H new ATOM 560 HB3 PHE A 32 0.785 -1.732 -0.964 1.00 0.36 H new ATOM 561 HD1 PHE A 32 1.202 -2.870 1.286 1.00 0.47 H new ATOM 562 HD2 PHE A 32 1.576 1.118 0.732 1.00 0.31 H new ATOM 563 HE1 PHE A 32 0.609 -2.508 3.507 1.00 0.55 H new ATOM 564 HE2 PHE A 32 0.833 1.489 2.919 1.00 0.33 H new ATOM 565 HZ PHE A 32 0.455 -0.335 4.333 1.00 0.42 H new ATOM 566 N THR A 33 3.681 0.179 -2.371 1.00 0.28 ATOM 567 CA THR A 33 4.228 1.508 -2.370 1.00 0.26 ATOM 568 C THR A 33 3.051 2.460 -2.242 1.00 0.24 ATOM 569 O THR A 33 1.984 2.239 -2.824 1.00 0.35 ATOM 570 CB THR A 33 5.116 1.745 -3.593 1.00 0.29 ATOM 571 OG1 THR A 33 4.453 1.377 -4.780 1.00 0.34 ATOM 572 CG2 THR A 33 6.386 0.901 -3.465 1.00 0.33 ATOM 573 H THR A 33 3.234 -0.016 -3.079 1.00 0.28 H new ATOM 574 HA THR A 33 4.828 1.657 -1.623 1.00 0.26 H new ATOM 575 HB THR A 33 5.332 2.690 -3.632 1.00 0.29 H new ATOM 576 HG1 THR A 33 4.957 1.516 -5.437 1.00 0.34 H new ATOM 577 HG21 THR A 33 6.952 1.048 -4.239 1.00 0.33 H new ATOM 578 HG22 THR A 33 6.865 1.157 -2.661 1.00 0.33 H new ATOM 579 HG23 THR A 33 6.147 -0.038 -3.414 1.00 0.33 H new ATOM 580 N TYR A 34 3.232 3.481 -1.415 1.00 0.35 ATOM 581 CA TYR A 34 2.269 4.533 -1.197 1.00 0.34 ATOM 582 C TYR A 34 3.056 5.840 -1.322 1.00 0.39 ATOM 583 O TYR A 34 4.288 5.824 -1.309 1.00 0.47 ATOM 584 CB TYR A 34 1.560 4.332 0.147 1.00 0.33 ATOM 585 CG TYR A 34 2.476 4.654 1.305 1.00 0.38 ATOM 586 CD1 TYR A 34 2.623 6.010 1.632 1.00 0.54 ATOM 587 CD2 TYR A 34 3.419 3.719 1.771 1.00 0.44 ATOM 588 CE1 TYR A 34 3.717 6.460 2.373 1.00 0.66 ATOM 589 CE2 TYR A 34 4.523 4.174 2.513 1.00 0.60 ATOM 590 CZ TYR A 34 4.683 5.540 2.783 1.00 0.71 ATOM 591 OH TYR A 34 5.798 5.991 3.404 1.00 1.08 ATOM 592 H TYR A 34 3.949 3.578 -0.950 1.00 0.35 H new ATOM 593 HA TYR A 34 1.547 4.539 -1.844 1.00 0.34 H new ATOM 594 HB2 TYR A 34 0.773 4.898 0.188 1.00 0.33 H new ATOM 595 HB3 TYR A 34 1.254 3.414 0.220 1.00 0.33 H new ATOM 596 HD1 TYR A 34 1.980 6.620 1.350 1.00 0.54 H new ATOM 597 HD2 TYR A 34 3.313 2.813 1.591 1.00 0.44 H new ATOM 598 HE1 TYR A 34 3.801 7.360 2.590 1.00 0.66 H new ATOM 599 HE2 TYR A 34 5.151 3.564 2.827 1.00 0.60 H new ATOM 600 HH TYR A 34 5.823 5.691 4.188 1.00 1.08 H new ATOM 601 N ASP A 35 2.350 6.953 -1.468 1.00 0.41 ATOM 602 CA ASP A 35 2.945 8.268 -1.673 1.00 0.44 ATOM 603 C ASP A 35 2.853 9.097 -0.390 1.00 0.36 ATOM 604 O ASP A 35 1.906 8.945 0.377 1.00 0.57 ATOM 605 CB ASP A 35 2.232 8.974 -2.832 1.00 0.64 ATOM 606 CG ASP A 35 2.902 10.299 -3.189 1.00 0.82 ATOM 607 OD1 ASP A 35 2.555 11.313 -2.540 1.00 1.35 ATOM 608 OD2 ASP A 35 3.749 10.282 -4.105 1.00 0.96 ATOM 609 H ASP A 35 1.490 6.966 -1.450 1.00 0.41 H new ATOM 610 HA ASP A 35 3.883 8.167 -1.897 1.00 0.44 H new ATOM 611 HB2 ASP A 35 2.227 8.394 -3.610 1.00 0.64 H new ATOM 612 HB3 ASP A 35 1.306 9.134 -2.592 1.00 0.64 H new ATOM 613 N ASP A 36 3.803 10.000 -0.154 1.00 0.57 ATOM 614 CA ASP A 36 3.699 11.022 0.872 1.00 0.82 ATOM 615 C ASP A 36 4.072 12.351 0.224 1.00 0.94 ATOM 616 O ASP A 36 5.239 12.585 -0.077 1.00 1.04 ATOM 617 CB ASP A 36 4.620 10.675 2.044 1.00 1.04 ATOM 618 CG ASP A 36 4.476 11.651 3.207 1.00 1.41 ATOM 619 OD1 ASP A 36 3.338 12.129 3.412 1.00 1.69 ATOM 620 OD2 ASP A 36 5.495 11.865 3.897 1.00 2.03 ATOM 621 H ASP A 36 4.539 10.032 -0.597 1.00 0.57 H new ATOM 622 HA ASP A 36 2.800 11.080 1.230 1.00 0.82 H new ATOM 623 HB2 ASP A 36 4.422 9.777 2.353 1.00 1.04 H new ATOM 624 HB3 ASP A 36 5.541 10.673 1.739 1.00 1.04 H new ATOM 625 N ASN A 37 3.073 13.201 -0.029 1.00 1.17 ATOM 626 CA ASN A 37 3.229 14.543 -0.578 1.00 1.46 ATOM 627 C ASN A 37 4.202 14.617 -1.762 1.00 1.25 ATOM 628 O ASN A 37 4.963 15.576 -1.882 1.00 1.51 ATOM 629 CB ASN A 37 3.546 15.547 0.545 1.00 1.98 ATOM 630 CG ASN A 37 4.885 15.308 1.247 1.00 2.13 ATOM 631 OD1 ASN A 37 4.924 14.811 2.367 1.00 2.35 ATOM 632 ND2 ASN A 37 5.994 15.669 0.611 1.00 2.16 ATOM 633 H ASN A 37 2.251 12.998 0.123 1.00 1.17 H new ATOM 634 HA ASN A 37 2.378 14.798 -0.966 1.00 1.46 H new ATOM 635 HB2 ASN A 37 3.544 16.443 0.173 1.00 1.98 H new ATOM 636 HB3 ASN A 37 2.836 15.512 1.205 1.00 1.98 H new ATOM 637 HD21 ASN A 37 6.760 15.556 0.985 1.00 2.16 H new ATOM 638 HD22 ASN A 37 5.946 16.016 -0.174 1.00 2.16 H new ATOM 639 N GLY A 38 4.146 13.631 -2.660 1.00 0.99 ATOM 640 CA GLY A 38 4.891 13.638 -3.911 1.00 1.13 ATOM 641 C GLY A 38 6.045 12.638 -3.922 1.00 0.99 ATOM 642 O GLY A 38 6.380 12.127 -4.988 1.00 1.12 ATOM 643 H GLY A 38 3.663 12.928 -2.553 1.00 0.99 H new ATOM 644 HA2 GLY A 38 4.287 13.436 -4.643 1.00 1.13 H new ATOM 645 HA3 GLY A 38 5.240 14.529 -4.069 1.00 1.13 H new ATOM 646 N LYS A 39 6.663 12.349 -2.771 1.00 0.87 ATOM 647 CA LYS A 39 7.695 11.307 -2.732 1.00 0.85 ATOM 648 C LYS A 39 7.013 9.958 -2.516 1.00 0.68 ATOM 649 O LYS A 39 5.916 9.905 -1.963 1.00 0.74 ATOM 650 CB LYS A 39 8.753 11.587 -1.653 1.00 1.02 ATOM 651 CG LYS A 39 8.149 11.865 -0.275 1.00 1.18 ATOM 652 CD LYS A 39 9.217 11.882 0.824 1.00 1.44 ATOM 653 CE LYS A 39 8.560 11.899 2.211 1.00 1.58 ATOM 654 NZ LYS A 39 7.627 13.029 2.371 1.00 1.65 ATOM 655 H LYS A 39 6.504 12.735 -2.019 1.00 0.87 H new ATOM 656 HA LYS A 39 8.172 11.298 -3.576 1.00 0.85 H new ATOM 657 HB2 LYS A 39 9.351 10.826 -1.590 1.00 1.02 H new ATOM 658 HB3 LYS A 39 9.290 12.348 -1.924 1.00 1.02 H new ATOM 659 HG2 LYS A 39 7.688 12.718 -0.291 1.00 1.18 H new ATOM 660 HG3 LYS A 39 7.486 11.188 -0.070 1.00 1.18 H new ATOM 661 HD2 LYS A 39 9.788 11.102 0.740 1.00 1.44 H new ATOM 662 HD3 LYS A 39 9.784 12.662 0.719 1.00 1.44 H new ATOM 663 HE2 LYS A 39 8.084 11.066 2.352 1.00 1.58 H new ATOM 664 HE3 LYS A 39 9.248 11.951 2.893 1.00 1.58 H new ATOM 665 HZ1 LYS A 39 7.854 13.502 3.090 1.00 1.65 H new ATOM 666 HZ2 LYS A 39 7.664 13.549 1.650 1.00 1.65 H new ATOM 667 HZ3 LYS A 39 6.799 12.719 2.470 1.00 1.65 H new ATOM 668 N THR A 40 7.643 8.861 -2.939 1.00 0.58 ATOM 669 CA THR A 40 7.107 7.524 -2.737 1.00 0.52 ATOM 670 C THR A 40 7.437 7.048 -1.308 1.00 0.56 ATOM 671 O THR A 40 7.894 7.828 -0.472 1.00 1.23 ATOM 672 CB THR A 40 7.675 6.591 -3.828 1.00 0.60 ATOM 673 OG1 THR A 40 8.129 7.351 -4.932 1.00 0.90 ATOM 674 CG2 THR A 40 6.620 5.602 -4.345 1.00 0.63 ATOM 675 H THR A 40 8.397 8.877 -3.353 1.00 0.58 H new ATOM 676 HA THR A 40 6.141 7.518 -2.820 1.00 0.52 H new ATOM 677 HB THR A 40 8.404 6.097 -3.421 1.00 0.60 H new ATOM 678 HG1 THR A 40 8.947 7.519 -4.840 1.00 0.90 H new ATOM 679 HG21 THR A 40 7.014 5.035 -5.027 1.00 0.63 H new ATOM 680 HG22 THR A 40 6.304 5.052 -3.611 1.00 0.63 H new ATOM 681 HG23 THR A 40 5.874 6.093 -4.725 1.00 0.63 H new ATOM 682 N GLY A 41 7.248 5.756 -1.030 1.00 0.53 ATOM 683 CA GLY A 41 7.478 5.117 0.249 1.00 0.58 ATOM 684 C GLY A 41 6.927 3.701 0.104 1.00 0.48 ATOM 685 O GLY A 41 6.129 3.456 -0.805 1.00 0.52 ATOM 686 H GLY A 41 6.965 5.203 -1.625 1.00 0.53 H new ATOM 687 HA2 GLY A 41 8.423 5.103 0.467 1.00 0.58 H new ATOM 688 HA3 GLY A 41 7.029 5.595 0.964 1.00 0.58 H new ATOM 689 N ARG A 42 7.375 2.775 0.955 1.00 0.54 ATOM 690 CA ARG A 42 7.015 1.366 0.946 1.00 0.45 ATOM 691 C ARG A 42 6.278 1.085 2.245 1.00 0.43 ATOM 692 O ARG A 42 6.737 1.504 3.306 1.00 0.58 ATOM 693 CB ARG A 42 8.276 0.490 0.828 1.00 0.56 ATOM 694 CG ARG A 42 7.939 -1.003 0.652 1.00 0.56 ATOM 695 CD ARG A 42 9.187 -1.880 0.784 1.00 0.78 ATOM 696 NE ARG A 42 8.828 -3.294 0.595 1.00 0.88 ATOM 697 CZ ARG A 42 9.622 -4.249 0.089 1.00 1.16 ATOM 698 NH1 ARG A 42 10.894 -3.990 -0.227 1.00 2.01 ATOM 699 NH2 ARG A 42 9.127 -5.476 -0.100 1.00 1.20 ATOM 700 H ARG A 42 7.927 2.968 1.585 1.00 0.54 H new ATOM 701 HA ARG A 42 6.451 1.157 0.185 1.00 0.45 H new ATOM 702 HB2 ARG A 42 8.806 0.791 0.073 1.00 0.56 H new ATOM 703 HB3 ARG A 42 8.822 0.604 1.622 1.00 0.56 H new ATOM 704 HG2 ARG A 42 7.284 -1.268 1.316 1.00 0.56 H new ATOM 705 HG3 ARG A 42 7.534 -1.144 -0.218 1.00 0.56 H new ATOM 706 HD2 ARG A 42 9.849 -1.615 0.126 1.00 0.78 H new ATOM 707 HD3 ARG A 42 9.589 -1.754 1.658 1.00 0.78 H new ATOM 708 HE ARG A 42 8.035 -3.530 0.831 1.00 0.88 H new ATOM 709 HH11 ARG A 42 11.215 -3.201 -0.107 1.00 2.01 H new ATOM 710 HH12 ARG A 42 11.392 -4.612 -0.551 1.00 2.01 H new ATOM 711 HH21 ARG A 42 8.308 -5.645 0.102 1.00 1.20 H new ATOM 712 HH22 ARG A 42 9.627 -6.096 -0.424 1.00 1.20 H new ATOM 713 N GLY A 43 5.138 0.406 2.160 1.00 0.43 ATOM 714 CA GLY A 43 4.398 -0.083 3.306 1.00 0.45 ATOM 715 C GLY A 43 4.251 -1.588 3.164 1.00 0.44 ATOM 716 O GLY A 43 4.469 -2.131 2.080 1.00 0.41 ATOM 717 H GLY A 43 4.767 0.214 1.409 1.00 0.43 H new ATOM 718 HA2 GLY A 43 4.863 0.136 4.128 1.00 0.45 H new ATOM 719 HA3 GLY A 43 3.526 0.340 3.352 1.00 0.45 H new ATOM 720 N ALA A 44 3.915 -2.269 4.258 1.00 0.48 ATOM 721 CA ALA A 44 3.743 -3.705 4.238 1.00 0.46 ATOM 722 C ALA A 44 3.002 -4.153 5.489 1.00 0.49 ATOM 723 O ALA A 44 3.012 -3.437 6.492 1.00 0.53 ATOM 724 CB ALA A 44 5.102 -4.411 4.140 1.00 0.49 ATOM 725 H ALA A 44 3.782 -1.907 5.027 1.00 0.48 H new ATOM 726 HA ALA A 44 3.220 -3.946 3.457 1.00 0.46 H new ATOM 727 HB1 ALA A 44 4.968 -5.372 4.128 1.00 0.49 H new ATOM 728 HB2 ALA A 44 5.551 -4.137 3.325 1.00 0.49 H new ATOM 729 HB3 ALA A 44 5.648 -4.171 4.905 1.00 0.49 H new ATOM 730 N VAL A 45 2.377 -5.330 5.420 1.00 0.48 ATOM 731 CA VAL A 45 1.666 -5.967 6.526 1.00 0.51 ATOM 732 C VAL A 45 1.739 -7.487 6.335 1.00 0.48 ATOM 733 O VAL A 45 1.980 -7.966 5.223 1.00 0.49 ATOM 734 CB VAL A 45 0.186 -5.517 6.602 1.00 0.48 ATOM 735 CG1 VAL A 45 -0.390 -5.662 8.007 1.00 0.55 ATOM 736 CG2 VAL A 45 -0.048 -4.048 6.287 1.00 0.57 ATOM 737 H VAL A 45 2.356 -5.796 4.698 1.00 0.48 H new ATOM 738 HA VAL A 45 2.087 -5.702 7.359 1.00 0.51 H new ATOM 739 HB VAL A 45 -0.234 -6.092 5.943 1.00 0.48 H new ATOM 740 HG11 VAL A 45 -1.315 -5.370 8.009 1.00 0.55 H new ATOM 741 HG12 VAL A 45 -0.344 -6.591 8.282 1.00 0.55 H new ATOM 742 HG13 VAL A 45 0.122 -5.117 8.625 1.00 0.55 H new ATOM 743 HG21 VAL A 45 -0.995 -3.849 6.356 1.00 0.57 H new ATOM 744 HG22 VAL A 45 0.444 -3.499 6.917 1.00 0.57 H new ATOM 745 HG23 VAL A 45 0.257 -3.857 5.386 1.00 0.57 H new ATOM 746 N SER A 46 1.501 -8.236 7.414 1.00 0.49 ATOM 747 CA SER A 46 1.193 -9.661 7.364 1.00 0.50 ATOM 748 C SER A 46 -0.324 -9.855 7.481 1.00 0.41 ATOM 749 O SER A 46 -0.966 -9.202 8.305 1.00 0.43 ATOM 750 CB SER A 46 1.918 -10.374 8.508 1.00 0.66 ATOM 751 OG SER A 46 3.311 -10.178 8.389 1.00 1.23 ATOM 752 H SER A 46 1.515 -7.919 8.213 1.00 0.49 H new ATOM 753 HA SER A 46 1.492 -10.038 6.522 1.00 0.50 H new ATOM 754 HB2 SER A 46 1.607 -10.033 9.361 1.00 0.66 H new ATOM 755 HB3 SER A 46 1.714 -11.322 8.490 1.00 0.66 H new ATOM 756 HG SER A 46 3.704 -10.570 9.020 1.00 1.23 H new ATOM 757 N GLU A 47 -0.883 -10.767 6.681 1.00 0.42 ATOM 758 CA GLU A 47 -2.315 -11.060 6.553 1.00 0.46 ATOM 759 C GLU A 47 -3.056 -11.019 7.889 1.00 0.50 ATOM 760 O GLU A 47 -4.094 -10.371 8.006 1.00 0.54 ATOM 761 CB GLU A 47 -2.507 -12.448 5.919 1.00 0.60 ATOM 762 CG GLU A 47 -2.025 -12.557 4.464 1.00 0.97 ATOM 763 CD GLU A 47 -0.522 -12.806 4.343 1.00 1.64 ATOM 764 OE1 GLU A 47 0.219 -11.798 4.376 1.00 2.35 ATOM 765 OE2 GLU A 47 -0.151 -13.996 4.265 1.00 2.04 ATOM 766 H GLU A 47 -0.405 -11.263 6.166 1.00 0.42 H new ATOM 767 HA GLU A 47 -2.691 -10.366 5.989 1.00 0.46 H new ATOM 768 HB2 GLU A 47 -2.034 -13.104 6.454 1.00 0.60 H new ATOM 769 HB3 GLU A 47 -3.448 -12.679 5.954 1.00 0.60 H new ATOM 770 HG2 GLU A 47 -2.502 -13.278 4.025 1.00 0.97 H new ATOM 771 HG3 GLU A 47 -2.250 -11.739 3.993 1.00 0.97 H new ATOM 772 N LYS A 48 -2.505 -11.700 8.896 1.00 0.57 ATOM 773 CA LYS A 48 -3.100 -11.858 10.216 1.00 0.74 ATOM 774 C LYS A 48 -3.519 -10.522 10.835 1.00 0.74 ATOM 775 O LYS A 48 -4.450 -10.486 11.636 1.00 0.89 ATOM 776 CB LYS A 48 -2.132 -12.634 11.125 1.00 0.90 ATOM 777 CG LYS A 48 -0.800 -11.903 11.342 1.00 0.90 ATOM 778 CD LYS A 48 0.169 -12.760 12.167 1.00 1.02 ATOM 779 CE LYS A 48 1.574 -12.145 12.199 1.00 0.87 ATOM 780 NZ LYS A 48 1.570 -10.765 12.719 1.00 1.48 ATOM 781 H LYS A 48 -1.745 -12.096 8.822 1.00 0.57 H new ATOM 782 HA LYS A 48 -3.919 -12.369 10.121 1.00 0.74 H new ATOM 783 HB2 LYS A 48 -2.555 -12.787 11.984 1.00 0.90 H new ATOM 784 HB3 LYS A 48 -1.958 -13.505 10.735 1.00 0.90 H new ATOM 785 HG2 LYS A 48 -0.400 -11.691 10.484 1.00 0.90 H new ATOM 786 HG3 LYS A 48 -0.960 -11.061 11.796 1.00 0.90 H new ATOM 787 HD2 LYS A 48 -0.167 -12.850 13.072 1.00 1.02 H new ATOM 788 HD3 LYS A 48 0.214 -13.653 11.791 1.00 1.02 H new ATOM 789 HE2 LYS A 48 2.153 -12.694 12.751 1.00 0.87 H new ATOM 790 HE3 LYS A 48 1.947 -12.150 11.304 1.00 0.87 H new ATOM 791 HZ1 LYS A 48 2.408 -10.477 12.803 1.00 1.48 H new ATOM 792 HZ2 LYS A 48 1.130 -10.236 12.154 1.00 1.48 H new ATOM 793 HZ3 LYS A 48 1.170 -10.748 13.514 1.00 1.48 H new ATOM 794 N ASP A 49 -2.822 -9.437 10.477 1.00 0.63 ATOM 795 CA ASP A 49 -3.070 -8.104 10.987 1.00 0.71 ATOM 796 C ASP A 49 -3.276 -7.092 9.854 1.00 0.77 ATOM 797 O ASP A 49 -3.006 -5.907 10.030 1.00 1.14 ATOM 798 CB ASP A 49 -1.930 -7.729 11.936 1.00 0.71 ATOM 799 CG ASP A 49 -0.557 -7.672 11.270 1.00 0.66 ATOM 800 OD1 ASP A 49 0.043 -8.756 11.104 1.00 1.36 ATOM 801 OD2 ASP A 49 -0.104 -6.546 10.972 1.00 1.13 ATOM 802 H ASP A 49 -2.174 -9.468 9.913 1.00 0.63 H new ATOM 803 HA ASP A 49 -3.901 -8.088 11.487 1.00 0.71 H new ATOM 804 HB2 ASP A 49 -2.123 -6.865 12.332 1.00 0.71 H new ATOM 805 HB3 ASP A 49 -1.901 -8.373 12.661 1.00 0.71 H new ATOM 806 N ALA A 50 -3.792 -7.554 8.710 1.00 0.56 ATOM 807 CA ALA A 50 -4.141 -6.741 7.550 1.00 0.58 ATOM 808 C ALA A 50 -5.664 -6.545 7.451 1.00 0.73 ATOM 809 O ALA A 50 -6.349 -7.397 6.893 1.00 0.74 ATOM 810 CB ALA A 50 -3.595 -7.401 6.287 1.00 0.40 ATOM 811 H ALA A 50 -3.954 -8.390 8.588 1.00 0.56 H new ATOM 812 HA ALA A 50 -3.741 -5.863 7.649 1.00 0.58 H new ATOM 813 HB1 ALA A 50 -3.826 -6.862 5.514 1.00 0.40 H new ATOM 814 HB2 ALA A 50 -2.630 -7.476 6.352 1.00 0.40 H new ATOM 815 HB3 ALA A 50 -3.981 -8.285 6.191 1.00 0.40 H new ATOM 816 N PRO A 51 -6.222 -5.445 7.982 1.00 1.11 ATOM 817 CA PRO A 51 -7.630 -5.111 7.879 1.00 1.32 ATOM 818 C PRO A 51 -8.170 -4.994 6.444 1.00 1.20 ATOM 819 O PRO A 51 -7.464 -4.684 5.478 1.00 1.00 ATOM 820 CB PRO A 51 -7.823 -3.812 8.676 1.00 1.67 ATOM 821 CG PRO A 51 -6.415 -3.292 8.944 1.00 1.81 ATOM 822 CD PRO A 51 -5.588 -4.570 8.936 1.00 1.52 ATOM 823 HA PRO A 51 -8.153 -5.843 8.242 1.00 1.32 H new ATOM 824 HB2 PRO A 51 -8.345 -3.167 8.173 1.00 1.67 H new ATOM 825 HB3 PRO A 51 -8.299 -3.977 9.505 1.00 1.67 H new ATOM 826 HG2 PRO A 51 -6.124 -2.668 8.260 1.00 1.81 H new ATOM 827 HG3 PRO A 51 -6.356 -2.829 9.794 1.00 1.81 H new ATOM 828 HD2 PRO A 51 -4.669 -4.388 8.684 1.00 1.52 H new ATOM 829 HD3 PRO A 51 -5.565 -4.975 9.817 1.00 1.52 H new ATOM 830 N LYS A 52 -9.479 -5.241 6.353 1.00 1.38 ATOM 831 CA LYS A 52 -10.207 -5.479 5.123 1.00 1.32 ATOM 832 C LYS A 52 -9.879 -4.552 3.951 1.00 1.15 ATOM 833 O LYS A 52 -9.633 -5.092 2.883 1.00 0.96 ATOM 834 CB LYS A 52 -11.709 -5.543 5.431 1.00 1.63 ATOM 835 CG LYS A 52 -12.534 -6.109 4.266 1.00 1.61 ATOM 836 CD LYS A 52 -13.997 -6.257 4.698 1.00 1.99 ATOM 837 CE LYS A 52 -14.851 -6.766 3.532 1.00 2.06 ATOM 838 NZ LYS A 52 -16.265 -6.897 3.925 1.00 2.51 ATOM 839 H LYS A 52 -9.985 -5.274 7.048 1.00 1.38 H new ATOM 840 HA LYS A 52 -9.899 -6.336 4.789 1.00 1.32 H new ATOM 841 HB2 LYS A 52 -11.850 -6.092 6.218 1.00 1.63 H new ATOM 842 HB3 LYS A 52 -12.029 -4.653 5.645 1.00 1.63 H new ATOM 843 HG2 LYS A 52 -12.472 -5.520 3.497 1.00 1.61 H new ATOM 844 HG3 LYS A 52 -12.179 -6.970 3.994 1.00 1.61 H new ATOM 845 HD2 LYS A 52 -14.059 -6.873 5.445 1.00 1.99 H new ATOM 846 HD3 LYS A 52 -14.337 -5.403 5.006 1.00 1.99 H new ATOM 847 HE2 LYS A 52 -14.776 -6.155 2.782 1.00 2.06 H new ATOM 848 HE3 LYS A 52 -14.515 -7.625 3.232 1.00 2.06 H new ATOM 849 HZ1 LYS A 52 -16.739 -7.193 3.233 1.00 2.51 H new ATOM 850 HZ2 LYS A 52 -16.334 -7.473 4.600 1.00 2.51 H new ATOM 851 HZ3 LYS A 52 -16.577 -6.104 4.180 1.00 2.51 H new ATOM 852 N GLU A 53 -9.903 -3.211 4.037 1.00 1.25 ATOM 853 CA GLU A 53 -9.675 -2.421 2.820 1.00 1.16 ATOM 854 C GLU A 53 -8.303 -2.698 2.202 1.00 0.94 ATOM 855 O GLU A 53 -8.191 -2.787 0.976 1.00 0.80 ATOM 856 CB GLU A 53 -9.917 -0.925 3.027 1.00 1.42 ATOM 857 CG GLU A 53 -10.075 -0.117 1.720 1.00 1.90 ATOM 858 CD GLU A 53 -8.780 0.223 0.983 1.00 2.42 ATOM 859 OE1 GLU A 53 -7.701 0.152 1.613 1.00 3.01 ATOM 860 OE2 GLU A 53 -8.908 0.579 -0.210 1.00 2.69 ATOM 861 H GLU A 53 -10.043 -2.760 4.756 1.00 1.25 H new ATOM 862 HA GLU A 53 -10.341 -2.717 2.180 1.00 1.16 H new ATOM 863 HB2 GLU A 53 -10.716 -0.809 3.565 1.00 1.42 H new ATOM 864 HB3 GLU A 53 -9.178 -0.556 3.535 1.00 1.42 H new ATOM 865 HG2 GLU A 53 -10.647 -0.618 1.118 1.00 1.90 H new ATOM 866 HG3 GLU A 53 -10.536 0.711 1.926 1.00 1.90 H new ATOM 867 N LEU A 54 -7.271 -2.876 3.037 1.00 0.92 ATOM 868 CA LEU A 54 -5.943 -3.160 2.518 1.00 0.79 ATOM 869 C LEU A 54 -6.013 -4.464 1.754 1.00 0.55 ATOM 870 O LEU A 54 -5.503 -4.583 0.636 1.00 0.46 ATOM 871 CB LEU A 54 -4.946 -3.276 3.683 1.00 0.82 ATOM 872 CG LEU A 54 -3.532 -3.586 3.177 1.00 0.76 ATOM 873 CD1 LEU A 54 -2.977 -2.446 2.332 1.00 0.77 ATOM 874 CD2 LEU A 54 -2.615 -3.761 4.373 1.00 0.90 ATOM 875 H LEU A 54 -7.325 -2.836 3.894 1.00 0.92 H new ATOM 876 HA LEU A 54 -5.644 -2.447 1.932 1.00 0.79 H new ATOM 877 HB2 LEU A 54 -4.937 -2.448 4.187 1.00 0.82 H new ATOM 878 HB3 LEU A 54 -5.235 -3.975 4.290 1.00 0.82 H new ATOM 879 HG LEU A 54 -3.577 -4.389 2.635 1.00 0.76 H new ATOM 880 HD11 LEU A 54 -2.084 -2.673 2.028 1.00 0.77 H new ATOM 881 HD12 LEU A 54 -3.552 -2.302 1.564 1.00 0.77 H new ATOM 882 HD13 LEU A 54 -2.941 -1.636 2.865 1.00 0.77 H new ATOM 883 HD21 LEU A 54 -1.716 -3.958 4.066 1.00 0.90 H new ATOM 884 HD22 LEU A 54 -2.606 -2.944 4.896 1.00 0.90 H new ATOM 885 HD23 LEU A 54 -2.936 -4.493 4.923 1.00 0.90 H new ATOM 886 N LEU A 55 -6.698 -5.429 2.368 1.00 0.55 ATOM 887 CA LEU A 55 -6.939 -6.676 1.702 1.00 0.46 ATOM 888 C LEU A 55 -7.694 -6.442 0.415 1.00 0.45 ATOM 889 O LEU A 55 -7.260 -6.960 -0.585 1.00 0.47 ATOM 890 CB LEU A 55 -7.644 -7.700 2.587 1.00 0.64 ATOM 891 CG LEU A 55 -6.799 -8.030 3.814 1.00 0.59 ATOM 892 CD1 LEU A 55 -7.547 -9.092 4.621 1.00 0.82 ATOM 893 CD2 LEU A 55 -5.417 -8.555 3.382 1.00 0.37 ATOM 894 H LEU A 55 -7.023 -5.370 3.162 1.00 0.55 H new ATOM 895 HA LEU A 55 -6.074 -7.061 1.493 1.00 0.46 H new ATOM 896 HB2 LEU A 55 -8.506 -7.353 2.866 1.00 0.64 H new ATOM 897 HB3 LEU A 55 -7.815 -8.509 2.080 1.00 0.64 H new ATOM 898 HG LEU A 55 -6.658 -7.236 4.354 1.00 0.59 H new ATOM 899 HD11 LEU A 55 -7.031 -9.322 5.410 1.00 0.82 H new ATOM 900 HD12 LEU A 55 -8.412 -8.745 4.890 1.00 0.82 H new ATOM 901 HD13 LEU A 55 -7.673 -9.884 4.075 1.00 0.82 H new ATOM 902 HD21 LEU A 55 -4.889 -8.761 4.169 1.00 0.37 H new ATOM 903 HD22 LEU A 55 -5.528 -9.357 2.848 1.00 0.37 H new ATOM 904 HD23 LEU A 55 -4.963 -7.878 2.857 1.00 0.37 H new ATOM 905 N ASP A 56 -8.775 -5.671 0.394 1.00 0.52 ATOM 906 CA ASP A 56 -9.615 -5.508 -0.783 1.00 0.52 ATOM 907 C ASP A 56 -8.774 -5.057 -1.975 1.00 0.40 ATOM 908 O ASP A 56 -8.885 -5.644 -3.055 1.00 0.44 ATOM 909 CB ASP A 56 -10.782 -4.556 -0.493 1.00 0.65 ATOM 910 CG ASP A 56 -12.135 -5.212 -0.748 1.00 1.09 ATOM 911 OD1 ASP A 56 -12.570 -5.980 0.138 1.00 1.52 ATOM 912 OD2 ASP A 56 -12.712 -4.934 -1.822 1.00 1.40 ATOM 913 H ASP A 56 -9.045 -5.221 1.075 1.00 0.52 H new ATOM 914 HA ASP A 56 -10.006 -6.365 -1.015 1.00 0.52 H new ATOM 915 HB2 ASP A 56 -10.736 -4.261 0.430 1.00 0.65 H new ATOM 916 HB3 ASP A 56 -10.698 -3.765 -1.048 1.00 0.65 H new ATOM 917 N MET A 57 -7.915 -4.048 -1.782 1.00 0.43 ATOM 918 CA MET A 57 -7.044 -3.602 -2.866 1.00 0.53 ATOM 919 C MET A 57 -6.080 -4.722 -3.269 1.00 0.48 ATOM 920 O MET A 57 -6.008 -5.127 -4.432 1.00 0.57 ATOM 921 CB MET A 57 -6.306 -2.299 -2.507 1.00 0.77 ATOM 922 CG MET A 57 -7.264 -1.107 -2.330 1.00 0.88 ATOM 923 SD MET A 57 -7.159 0.192 -3.594 1.00 0.61 ATOM 924 CE MET A 57 -5.496 0.862 -3.326 1.00 0.83 ATOM 925 H MET A 57 -7.825 -3.618 -1.043 1.00 0.43 H new ATOM 926 HA MET A 57 -7.597 -3.396 -3.636 1.00 0.53 H new ATOM 927 HB2 MET A 57 -5.804 -2.431 -1.688 1.00 0.77 H new ATOM 928 HB3 MET A 57 -5.663 -2.093 -3.204 1.00 0.77 H new ATOM 929 HG2 MET A 57 -8.173 -1.445 -2.314 1.00 0.88 H new ATOM 930 HG3 MET A 57 -7.095 -0.705 -1.464 1.00 0.88 H new ATOM 931 HE1 MET A 57 -5.329 1.577 -3.960 1.00 0.83 H new ATOM 932 HE2 MET A 57 -5.428 1.209 -2.423 1.00 0.83 H new ATOM 933 HE3 MET A 57 -4.840 0.159 -3.452 1.00 0.83 H new ATOM 934 N LEU A 58 -5.359 -5.279 -2.293 1.00 0.40 ATOM 935 CA LEU A 58 -4.502 -6.424 -2.561 1.00 0.38 ATOM 936 C LEU A 58 -5.293 -7.634 -3.081 1.00 0.45 ATOM 937 O LEU A 58 -4.723 -8.530 -3.683 1.00 0.66 ATOM 938 CB LEU A 58 -3.688 -6.719 -1.292 1.00 0.44 ATOM 939 CG LEU A 58 -2.514 -7.703 -1.431 1.00 0.55 ATOM 940 CD1 LEU A 58 -2.923 -9.130 -1.085 1.00 0.63 ATOM 941 CD2 LEU A 58 -1.798 -7.684 -2.783 1.00 0.64 ATOM 942 H LEU A 58 -5.355 -5.008 -1.477 1.00 0.40 H new ATOM 943 HA LEU A 58 -3.886 -6.217 -3.282 1.00 0.38 H new ATOM 944 HB2 LEU A 58 -3.339 -5.879 -0.955 1.00 0.44 H new ATOM 945 HB3 LEU A 58 -4.294 -7.065 -0.618 1.00 0.44 H new ATOM 946 HG LEU A 58 -1.869 -7.378 -0.783 1.00 0.55 H new ATOM 947 HD11 LEU A 58 -2.159 -9.719 -1.184 1.00 0.63 H new ATOM 948 HD12 LEU A 58 -3.239 -9.163 -0.169 1.00 0.63 H new ATOM 949 HD13 LEU A 58 -3.632 -9.417 -1.682 1.00 0.63 H new ATOM 950 HD21 LEU A 58 -1.077 -8.333 -2.777 1.00 0.64 H new ATOM 951 HD22 LEU A 58 -2.428 -7.908 -3.486 1.00 0.64 H new ATOM 952 HD23 LEU A 58 -1.435 -6.799 -2.945 1.00 0.64 H new ATOM 953 N ALA A 59 -6.603 -7.690 -2.876 1.00 0.47 ATOM 954 CA ALA A 59 -7.375 -8.925 -2.997 1.00 0.65 ATOM 955 C ALA A 59 -7.632 -9.189 -4.456 1.00 0.79 ATOM 956 O ALA A 59 -7.430 -10.305 -4.931 1.00 0.98 ATOM 957 CB ALA A 59 -8.708 -8.890 -2.236 1.00 0.80 ATOM 958 H ALA A 59 -7.076 -7.005 -2.660 1.00 0.47 H new ATOM 959 HA ALA A 59 -6.851 -9.636 -2.596 1.00 0.65 H new ATOM 960 HB1 ALA A 59 -9.171 -9.734 -2.355 1.00 0.80 H new ATOM 961 HB2 ALA A 59 -8.538 -8.745 -1.292 1.00 0.80 H new ATOM 962 HB3 ALA A 59 -9.258 -8.169 -2.580 1.00 0.80 H new ATOM 963 N ARG A 60 -8.086 -8.165 -5.177 1.00 0.81 ATOM 964 CA ARG A 60 -8.228 -8.304 -6.618 1.00 1.08 ATOM 965 C ARG A 60 -6.895 -8.740 -7.226 1.00 1.20 ATOM 966 O ARG A 60 -6.842 -9.689 -8.003 1.00 1.43 ATOM 967 CB ARG A 60 -8.799 -7.032 -7.250 1.00 1.25 ATOM 968 CG ARG A 60 -7.931 -5.773 -7.144 1.00 1.19 ATOM 969 CD ARG A 60 -8.800 -4.528 -6.947 1.00 1.24 ATOM 970 NE ARG A 60 -9.452 -4.584 -5.632 1.00 1.23 ATOM 971 CZ ARG A 60 -10.688 -4.170 -5.327 1.00 1.68 ATOM 972 NH1 ARG A 60 -11.404 -3.422 -6.170 1.00 2.24 ATOM 973 NH2 ARG A 60 -11.180 -4.537 -4.144 1.00 1.67 ATOM 974 H ARG A 60 -8.312 -7.399 -4.857 1.00 0.81 H new ATOM 975 HA ARG A 60 -8.875 -9.000 -6.813 1.00 1.08 H new ATOM 976 HB2 ARG A 60 -8.967 -7.208 -8.189 1.00 1.25 H new ATOM 977 HB3 ARG A 60 -9.657 -6.846 -6.838 1.00 1.25 H new ATOM 978 HG2 ARG A 60 -7.314 -5.862 -6.401 1.00 1.19 H new ATOM 979 HG3 ARG A 60 -7.396 -5.675 -7.947 1.00 1.19 H new ATOM 980 HD2 ARG A 60 -8.255 -3.728 -7.014 1.00 1.24 H new ATOM 981 HD3 ARG A 60 -9.469 -4.475 -7.648 1.00 1.24 H new ATOM 982 HE ARG A 60 -8.990 -4.919 -4.989 1.00 1.23 H new ATOM 983 HH11 ARG A 60 -11.073 -3.195 -6.930 1.00 2.24 H new ATOM 984 HH12 ARG A 60 -12.196 -3.168 -5.953 1.00 2.24 H new ATOM 985 HH21 ARG A 60 -10.707 -5.020 -3.613 1.00 1.67 H new ATOM 986 HH22 ARG A 60 -11.971 -4.291 -3.912 1.00 1.67 H new ATOM 987 N ALA A 61 -5.818 -8.073 -6.803 1.00 1.08 ATOM 988 CA ALA A 61 -4.469 -8.384 -7.264 1.00 1.23 ATOM 989 C ALA A 61 -4.117 -9.858 -7.000 1.00 1.33 ATOM 990 O ALA A 61 -3.782 -10.606 -7.917 1.00 1.60 ATOM 991 CB ALA A 61 -3.466 -7.416 -6.623 1.00 1.11 ATOM 992 H ALA A 61 -5.853 -7.425 -6.238 1.00 1.08 H new ATOM 993 HA ALA A 61 -4.424 -8.263 -8.225 1.00 1.23 H new ATOM 994 HB1 ALA A 61 -2.571 -7.626 -6.932 1.00 1.11 H new ATOM 995 HB2 ALA A 61 -3.689 -6.506 -6.874 1.00 1.11 H new ATOM 996 HB3 ALA A 61 -3.503 -7.503 -5.658 1.00 1.11 H new ATOM 997 N GLU A 62 -4.194 -10.277 -5.737 1.00 1.17 ATOM 998 CA GLU A 62 -3.814 -11.605 -5.286 1.00 1.34 ATOM 999 C GLU A 62 -4.673 -12.679 -5.945 1.00 1.58 ATOM 1000 O GLU A 62 -4.132 -13.662 -6.440 1.00 1.84 ATOM 1001 CB GLU A 62 -3.821 -11.681 -3.749 1.00 1.23 ATOM 1002 CG GLU A 62 -3.431 -13.081 -3.244 1.00 1.53 ATOM 1003 CD GLU A 62 -3.375 -13.200 -1.720 1.00 1.56 ATOM 1004 OE1 GLU A 62 -3.664 -12.190 -1.044 1.00 1.80 ATOM 1005 OE2 GLU A 62 -3.057 -14.320 -1.262 1.00 1.86 ATOM 1006 H GLU A 62 -4.480 -9.774 -5.100 1.00 1.17 H new ATOM 1007 HA GLU A 62 -2.903 -11.781 -5.568 1.00 1.34 H new ATOM 1008 HB2 GLU A 62 -3.204 -11.024 -3.390 1.00 1.23 H new ATOM 1009 HB3 GLU A 62 -4.704 -11.452 -3.418 1.00 1.23 H new ATOM 1010 HG2 GLU A 62 -4.068 -13.727 -3.586 1.00 1.53 H new ATOM 1011 HG3 GLU A 62 -2.564 -13.317 -3.610 1.00 1.53 H new ATOM 1012 N ARG A 63 -5.996 -12.512 -5.960 1.00 1.52 ATOM 1013 CA ARG A 63 -6.895 -13.466 -6.592 1.00 1.76 ATOM 1014 C ARG A 63 -6.571 -13.586 -8.081 1.00 2.00 ATOM 1015 O ARG A 63 -6.437 -14.697 -8.589 1.00 2.27 ATOM 1016 CB ARG A 63 -8.356 -13.056 -6.365 1.00 1.67 ATOM 1017 CG ARG A 63 -8.757 -13.246 -4.895 1.00 1.57 ATOM 1018 CD ARG A 63 -10.164 -12.699 -4.625 1.00 1.52 ATOM 1019 NE ARG A 63 -10.197 -11.241 -4.782 1.00 1.31 ATOM 1020 CZ ARG A 63 -11.278 -10.474 -4.577 1.00 1.31 ATOM 1021 NH1 ARG A 63 -12.437 -11.033 -4.215 1.00 1.49 ATOM 1022 NH2 ARG A 63 -11.196 -9.149 -4.733 1.00 1.20 ATOM 1023 H ARG A 63 -6.394 -11.839 -5.602 1.00 1.52 H new ATOM 1024 HA ARG A 63 -6.768 -14.338 -6.187 1.00 1.76 H new ATOM 1025 HB2 ARG A 63 -8.479 -12.128 -6.620 1.00 1.67 H new ATOM 1026 HB3 ARG A 63 -8.937 -13.586 -6.934 1.00 1.67 H new ATOM 1027 HG2 ARG A 63 -8.725 -14.189 -4.668 1.00 1.57 H new ATOM 1028 HG3 ARG A 63 -8.117 -12.795 -4.322 1.00 1.57 H new ATOM 1029 HD2 ARG A 63 -10.797 -13.108 -5.235 1.00 1.52 H new ATOM 1030 HD3 ARG A 63 -10.441 -12.938 -3.727 1.00 1.52 H new ATOM 1031 HE ARG A 63 -9.470 -10.849 -5.023 1.00 1.31 H new ATOM 1032 HH11 ARG A 63 -12.490 -11.885 -4.113 1.00 1.49 H new ATOM 1033 HH12 ARG A 63 -13.130 -10.540 -4.084 1.00 1.49 H new ATOM 1034 HH21 ARG A 63 -10.450 -8.789 -4.965 1.00 1.20 H new ATOM 1035 HH22 ARG A 63 -11.889 -8.657 -4.602 1.00 1.20 H new ATOM 1036 N GLU A 64 -6.425 -12.449 -8.772 1.00 1.95 ATOM 1037 CA GLU A 64 -6.072 -12.421 -10.185 1.00 2.21 ATOM 1038 C GLU A 64 -4.778 -13.205 -10.432 1.00 2.40 ATOM 1039 O GLU A 64 -4.732 -14.059 -11.314 1.00 2.68 ATOM 1040 CB GLU A 64 -5.968 -10.959 -10.643 1.00 2.16 ATOM 1041 CG GLU A 64 -5.654 -10.805 -12.140 1.00 2.48 ATOM 1042 CD GLU A 64 -4.353 -10.041 -12.369 1.00 2.66 ATOM 1043 OE1 GLU A 64 -4.297 -8.873 -11.928 1.00 2.86 ATOM 1044 OE2 GLU A 64 -3.436 -10.639 -12.972 1.00 3.17 ATOM 1045 H GLU A 64 -6.530 -11.669 -8.425 1.00 1.95 H new ATOM 1046 HA GLU A 64 -6.762 -12.855 -10.711 1.00 2.21 H new ATOM 1047 HB2 GLU A 64 -6.803 -10.506 -10.447 1.00 2.16 H new ATOM 1048 HB3 GLU A 64 -5.277 -10.515 -10.128 1.00 2.16 H new ATOM 1049 HG2 GLU A 64 -5.591 -11.682 -12.549 1.00 2.48 H new ATOM 1050 HG3 GLU A 64 -6.384 -10.340 -12.578 1.00 2.48 H new ATOM 1051 N LYS A 65 -3.731 -12.920 -9.655 1.00 2.27 ATOM 1052 CA LYS A 65 -2.451 -13.608 -9.784 1.00 2.47 ATOM 1053 C LYS A 65 -2.600 -15.106 -9.494 1.00 2.66 ATOM 1054 O LYS A 65 -2.094 -15.941 -10.238 1.00 2.92 ATOM 1055 CB LYS A 65 -1.430 -12.957 -8.844 1.00 2.30 ATOM 1056 CG LYS A 65 -1.070 -11.545 -9.327 1.00 2.22 ATOM 1057 CD LYS A 65 -0.328 -10.775 -8.229 1.00 2.11 ATOM 1058 CE LYS A 65 -0.052 -9.342 -8.695 1.00 2.12 ATOM 1059 NZ LYS A 65 0.613 -8.557 -7.643 1.00 2.25 ATOM 1060 H LYS A 65 -3.746 -12.321 -9.038 1.00 2.27 H new ATOM 1061 HA LYS A 65 -2.135 -13.525 -10.697 1.00 2.47 H new ATOM 1062 HB2 LYS A 65 -1.793 -12.914 -7.945 1.00 2.30 H new ATOM 1063 HB3 LYS A 65 -0.629 -13.503 -8.801 1.00 2.30 H new ATOM 1064 HG2 LYS A 65 -0.516 -11.600 -10.121 1.00 2.22 H new ATOM 1065 HG3 LYS A 65 -1.876 -11.067 -9.576 1.00 2.22 H new ATOM 1066 HD2 LYS A 65 -0.858 -10.763 -7.416 1.00 2.11 H new ATOM 1067 HD3 LYS A 65 0.507 -11.221 -8.017 1.00 2.11 H new ATOM 1068 HE2 LYS A 65 0.505 -9.359 -9.489 1.00 2.12 H new ATOM 1069 HE3 LYS A 65 -0.886 -8.914 -8.943 1.00 2.12 H new ATOM 1070 HZ1 LYS A 65 0.762 -7.731 -7.938 1.00 2.25 H new ATOM 1071 HZ2 LYS A 65 0.092 -8.525 -6.922 1.00 2.25 H new ATOM 1072 HZ3 LYS A 65 1.388 -8.940 -7.432 1.00 2.25 H new ATOM 1073 N LYS A 66 -3.283 -15.441 -8.397 1.00 2.57 ATOM 1074 CA LYS A 66 -3.525 -16.805 -7.953 1.00 2.84 ATOM 1075 C LYS A 66 -4.899 -17.247 -8.459 1.00 3.06 ATOM 1076 O LYS A 66 -5.527 -18.132 -7.877 1.00 3.41 ATOM 1077 CB LYS A 66 -3.424 -16.877 -6.419 1.00 2.87 ATOM 1078 CG LYS A 66 -2.065 -16.364 -5.914 1.00 2.76 ATOM 1079 CD LYS A 66 -1.973 -16.340 -4.381 1.00 2.92 ATOM 1080 CE LYS A 66 -1.963 -17.738 -3.756 1.00 3.26 ATOM 1081 NZ LYS A 66 -1.738 -17.660 -2.302 1.00 3.48 ATOM 1082 H LYS A 66 -3.630 -14.853 -7.874 1.00 2.57 H new ATOM 1083 HA LYS A 66 -2.857 -17.408 -8.315 1.00 2.84 H new ATOM 1084 HB2 LYS A 66 -4.136 -16.351 -6.022 1.00 2.87 H new ATOM 1085 HB3 LYS A 66 -3.552 -17.794 -6.129 1.00 2.87 H new ATOM 1086 HG2 LYS A 66 -1.359 -16.927 -6.268 1.00 2.76 H new ATOM 1087 HG3 LYS A 66 -1.913 -15.470 -6.257 1.00 2.76 H new ATOM 1088 HD2 LYS A 66 -1.167 -15.869 -4.118 1.00 2.92 H new ATOM 1089 HD3 LYS A 66 -2.723 -15.838 -4.025 1.00 2.92 H new ATOM 1090 HE2 LYS A 66 -2.807 -18.182 -3.933 1.00 3.26 H new ATOM 1091 HE3 LYS A 66 -1.268 -18.275 -4.167 1.00 3.26 H new ATOM 1092 HZ1 LYS A 66 -1.735 -18.481 -1.957 1.00 3.48 H new ATOM 1093 HZ2 LYS A 66 -0.954 -17.270 -2.143 1.00 3.48 H new ATOM 1094 HZ3 LYS A 66 -2.388 -17.183 -1.926 1.00 3.48 H new