REMARK FILENAME="emscoring_1.pdb" REMARK =============================================================== REMARK HADDOCK stats for emscoring_1.pdb REMARK =============================================================== REMARK HADDOCK score: -54.1511 REMARK =============================================================== REMARK initial structure 1 - ../0_topoaa/complexyrrk72_y_haddock.pdb REMARK =============================================================== REMARK total,bonds,angles,improper,dihe,vdw,elec,air,cdih,coup,rdcs,vean,dani,xpcs,rg REMARK energies: -106.18, 0, 0, 0, 0, -30.4344, -75.7457, 0, 0, 0, 0, 0, 0, 0, 0 REMARK =============================================================== REMARK bonds,angles,impropers,dihe,air,cdih,coup,rdcs,vean,dani,xpcs REMARK rms-dev.: 0,0,0,0,0,0,0, 0, 0, 0, 0 REMARK =============================================================== REMARK air,cdih,coup,rdcs,vean,dani,xpcs REMARK >0.3,>5,>1,>0,>5,>0.2,>0.2 REMARK violations.: 0, 0, 0, 0, 0, 0, 0 REMARK =============================================================== REMARK CVpartition#,violations,rms REMARK AIRs cross-validation: 0, 0, 0 REMARK =============================================================== REMARK NCS energy: 0 REMARK =============================================================== REMARK Symmetry energy: 0 REMARK =============================================================== REMARK Membrane restraining energy: 0 REMARK =============================================================== REMARK Local cross-correlation: 0.0000 REMARK =============================================================== REMARK Desolvation energy: -8.56748 REMARK Internal energy free molecules: -4515.85 REMARK Internal energy complex: -4364.86 REMARK Binding energy: 36.2429 REMARK =============================================================== REMARK buried surface area: 802.679 REMARK =============================================================== REMARK Total HADDOCK score without restraints: -54.1511 REMARK =============================================================== REMARK water - chain-A: 0 0 0 REMARK water - chain-B: 0 0 0 REMARK =============================================================== REMARK water - water: 0 0 0 REMARK =============================================================== REMARK DATE:22-Aug-2024 15:23:46 created by user: unknown REMARK VERSION:1.3U ATOM 1 N LEU A 929 26.117 -5.693 15.769 1.00 29.81 N ATOM 2 CA LEU A 929 27.153 -4.857 15.061 1.00 29.93 C ATOM 3 C LEU A 929 26.486 -3.835 14.143 1.00 29.74 C ATOM 4 O LEU A 929 26.790 -2.625 14.181 1.00 29.50 O ATOM 5 CB LEU A 929 28.096 -5.742 14.248 1.00 30.37 C ATOM 6 CG LEU A 929 29.617 -5.471 14.154 1.00 28.52 C ATOM 7 CD1 LEU A 929 30.109 -5.719 12.711 1.00 27.72 C ATOM 8 CD2 LEU A 929 30.111 -4.134 14.702 1.00 25.22 C ATOM 9 N GLU A 930 25.592 -4.316 13.283 1.00 29.50 N ATOM 10 CA GLU A 930 24.720 -3.411 12.581 1.00 29.52 C ATOM 11 C GLU A 930 23.799 -3.032 13.722 1.00 28.84 C ATOM 12 O GLU A 930 23.834 -3.649 14.790 1.00 30.73 O ATOM 13 CB GLU A 930 24.057 -4.070 11.368 1.00 30.31 C ATOM 14 CG GLU A 930 25.092 -4.539 10.271 1.00 32.29 C ATOM 15 CD GLU A 930 26.361 -3.610 10.128 1.00 33.77 C ATOM 16 OE1 GLU A 930 26.199 -2.374 9.952 1.00 35.75 O ATOM 17 OE2 GLU A 930 27.517 -4.127 10.199 1.00 32.22 O ATOM 18 N ASN A 931 23.064 -1.967 13.629 1.00 27.08 N ATOM 19 CA ASN A 931 22.627 -1.491 14.972 1.00 24.79 C ATOM 20 C ASN A 931 21.131 -1.716 15.039 1.00 21.71 C ATOM 21 O ASN A 931 20.392 -0.807 15.330 1.00 20.44 O ATOM 22 CB ASN A 931 23.051 -0.021 15.168 1.00 24.40 C ATOM 23 CG ASN A 931 23.184 0.410 16.651 1.00 25.91 C ATOM 24 OD1 ASN A 931 23.037 -0.377 17.613 1.00 26.29 O ATOM 25 ND2 ASN A 931 23.449 1.699 16.827 1.00 26.39 N ATOM 26 N VAL A 932 20.715 -2.967 14.802 1.00 19.44 N ATOM 27 CA VAL A 932 19.317 -3.241 14.414 1.00 18.49 C ATOM 28 C VAL A 932 18.230 -2.792 15.396 1.00 16.51 C ATOM 29 O VAL A 932 17.280 -2.124 14.973 1.00 16.08 O ATOM 30 CB VAL A 932 19.089 -4.686 13.880 1.00 19.25 C ATOM 31 CG1 VAL A 932 17.615 -4.913 13.531 1.00 20.18 C ATOM 32 CG2 VAL A 932 19.942 -4.876 12.601 1.00 20.29 C ATOM 33 N ASP A 933 18.390 -3.151 16.665 1.00 14.44 N ATOM 34 CA ASP A 933 17.419 -2.787 17.711 1.00 13.12 C ATOM 35 C ASP A 933 17.374 -1.266 17.822 1.00 11.75 C ATOM 36 O ASP A 933 16.299 -0.698 17.955 1.00 10.97 O ATOM 37 CB ASP A 933 17.827 -3.363 19.061 1.00 12.60 C ATOM 38 CG ASP A 933 17.624 -4.878 19.165 1.00 14.67 C ATOM 39 OD1 ASP A 933 18.073 -5.413 20.195 1.00 14.47 O ATOM 40 OD2 ASP A 933 17.023 -5.511 18.251 1.00 16.37 O ATOM 41 N ALA A 934 18.540 -0.603 17.782 1.00 10.80 N ATOM 42 CA ALA A 934 18.553 0.895 17.848 1.00 11.56 C ATOM 43 C ALA A 934 17.863 1.493 16.630 1.00 12.27 C ATOM 44 O ALA A 934 17.145 2.501 16.753 1.00 12.08 O ATOM 45 CB ALA A 934 20.003 1.474 17.974 1.00 12.40 C ATOM 46 N LYS A 935 18.070 0.875 15.462 1.00 11.97 N ATOM 47 CA LYS A 935 17.440 1.342 14.211 1.00 12.60 C ATOM 48 C LYS A 935 15.921 1.104 14.231 1.00 12.45 C ATOM 49 O LYS A 935 15.166 1.992 13.818 1.00 12.53 O ATOM 50 CB LYS A 935 18.088 0.668 12.985 1.00 13.38 C ATOM 51 CG LYS A 935 19.521 1.152 12.754 1.00 13.04 C ATOM 52 CD LYS A 935 20.121 0.542 11.509 1.00 13.17 C ATOM 53 CE LYS A 935 21.534 1.063 11.268 1.00 14.86 C ATOM 54 NZ LYS A 935 22.026 0.174 10.138 1.00 16.40 N ATOM 55 N ILE A 936 15.488 -0.050 14.751 1.00 10.93 N ATOM 56 CA ILE A 936 14.052 -0.297 14.943 1.00 12.45 C ATOM 57 C ILE A 936 13.452 0.787 15.847 1.00 12.85 C ATOM 58 O ILE A 936 12.435 1.394 15.502 1.00 12.24 O ATOM 59 CB ILE A 936 13.745 -1.704 15.528 1.00 12.04 C ATOM 60 CG1 ILE A 936 14.094 -2.804 14.500 1.00 13.51 C ATOM 61 CG2 ILE A 936 12.259 -1.812 15.942 1.00 10.62 C ATOM 62 CD1 ILE A 936 14.188 -4.227 15.098 1.00 13.79 C ATOM 63 N ALA A 937 14.092 1.012 16.997 1.00 12.41 N ATOM 64 CA ALA A 937 13.563 1.943 17.992 1.00 13.27 C ATOM 65 C ALA A 937 13.434 3.345 17.380 1.00 13.70 C ATOM 66 O ALA A 937 12.383 3.988 17.537 1.00 13.87 O ATOM 67 CB ALA A 937 14.461 1.986 19.264 1.00 13.52 C ATOM 68 N LYS A 938 14.487 3.797 16.709 1.00 13.33 N ATOM 69 CA LYS A 938 14.516 5.135 16.063 1.00 14.79 C ATOM 70 C LYS A 938 13.353 5.313 15.084 1.00 14.31 C ATOM 71 O LYS A 938 12.597 6.313 15.156 1.00 14.53 O ATOM 72 CB LYS A 938 15.835 5.361 15.333 1.00 14.78 C ATOM 73 CG LYS A 938 15.955 6.769 14.630 1.00 15.12 C ATOM 74 CD LYS A 938 17.317 6.902 13.974 1.00 16.87 C ATOM 75 CE LYS A 938 17.465 8.161 13.137 1.00 19.98 C ATOM 76 NZ LYS A 938 17.004 9.352 13.922 1.00 20.21 N ATOM 77 N LEU A 939 13.174 4.350 14.179 1.00 13.07 N ATOM 78 CA LEU A 939 12.091 4.484 13.203 1.00 12.80 C ATOM 79 C LEU A 939 10.698 4.340 13.820 1.00 13.35 C ATOM 80 O LEU A 939 9.778 5.053 13.430 1.00 13.43 O ATOM 81 CB LEU A 939 12.298 3.578 11.990 1.00 12.68 C ATOM 82 CG LEU A 939 13.504 3.935 11.110 1.00 13.83 C ATOM 83 CD1 LEU A 939 13.793 2.730 10.115 1.00 16.52 C ATOM 84 CD2 LEU A 939 13.330 5.286 10.403 1.00 14.32 C ATOM 85 N MET A 940 10.559 3.456 14.808 1.00 14.90 N ATOM 86 CA MET A 940 9.319 3.388 15.602 1.00 15.24 C ATOM 87 C MET A 940 9.022 4.781 16.182 1.00 16.41 C ATOM 88 O MET A 940 7.882 5.233 16.135 1.00 17.62 O ATOM 89 CB MET A 940 9.439 2.354 16.713 1.00 14.52 C ATOM 90 CG MET A 940 9.360 0.917 16.203 1.00 14.63 C ATOM 91 SD MET A 940 9.512 -0.265 17.578 1.00 17.42 S ATOM 92 CE MET A 940 7.976 0.001 18.479 1.00 19.11 C ATOM 93 N GLY A 941 10.055 5.478 16.647 1.00 16.53 N ATOM 94 CA GLY A 941 9.886 6.815 17.255 1.00 17.00 C ATOM 95 C GLY A 941 9.341 7.837 16.286 1.00 17.76 C ATOM 96 O GLY A 941 8.689 8.788 16.705 1.00 18.57 O ATOM 97 N GLU A 942 9.565 7.631 14.985 1.00 17.82 N ATOM 98 CA GLU A 942 9.040 8.532 13.953 1.00 19.51 C ATOM 99 C GLU A 942 7.565 8.333 13.637 1.00 20.28 C ATOM 100 O GLU A 942 7.002 9.064 12.826 1.00 21.60 O ATOM 101 CB GLU A 942 9.904 8.492 12.676 1.00 19.05 C ATOM 102 CG GLU A 942 11.333 8.876 12.955 1.00 19.58 C ATOM 103 CD GLU A 942 12.249 8.785 11.754 1.00 21.50 C ATOM 104 OE1 GLU A 942 11.761 8.704 10.608 1.00 19.37 O ATOM 105 OE2 GLU A 942 13.487 8.789 11.974 1.00 20.59 O ATOM 106 N GLY A 943 6.937 7.368 14.282 1.00 21.07 N ATOM 107 CA GLY A 943 5.496 7.253 14.259 1.00 22.65 C ATOM 108 C GLY A 943 5.041 6.006 13.529 1.00 22.38 C ATOM 109 O GLY A 943 3.983 6.009 12.905 1.00 23.50 O ATOM 110 N TYR A 944 5.840 4.947 13.596 1.00 21.26 N ATOM 111 CA TYR A 944 5.524 3.703 12.905 1.00 20.43 C ATOM 112 C TYR A 944 5.509 2.503 13.852 1.00 20.65 C ATOM 113 O TYR A 944 6.254 2.420 14.838 1.00 19.42 O ATOM 114 CB TYR A 944 6.488 3.451 11.715 1.00 21.14 C ATOM 115 CG TYR A 944 6.569 4.594 10.759 1.00 20.12 C ATOM 116 CD1 TYR A 944 5.514 4.852 9.858 1.00 20.39 C ATOM 117 CD2 TYR A 944 7.669 5.455 10.763 1.00 17.96 C ATOM 118 CE1 TYR A 944 5.560 5.940 8.995 1.00 20.13 C ATOM 119 CE2 TYR A 944 7.729 6.556 9.868 1.00 21.63 C ATOM 120 CZ TYR A 944 6.644 6.782 8.993 1.00 22.12 C ATOM 121 OH TYR A 944 6.665 7.842 8.096 1.00 23.64 O ATOM 122 N ALA A 945 4.668 1.542 13.518 1.00 19.66 N ATOM 123 CA ALA A 945 4.487 0.376 14.355 1.00 19.88 C ATOM 124 C ALA A 945 5.650 -0.632 14.237 1.00 19.21 C ATOM 125 O ALA A 945 6.300 -0.720 13.198 1.00 18.25 O ATOM 126 CB ALA A 945 3.144 -0.295 13.981 1.00 19.79 C ATOM 127 N PHE A 946 5.897 -1.397 15.294 1.00 18.98 N ATOM 128 CA PHE A 946 6.998 -2.356 15.297 1.00 19.43 C ATOM 129 C PHE A 946 7.065 -3.276 14.054 1.00 19.51 C ATOM 130 O PHE A 946 8.126 -3.399 13.424 1.00 18.02 O ATOM 131 CB PHE A 946 7.050 -3.190 16.566 1.00 18.98 C ATOM 132 CG PHE A 946 8.032 -4.340 16.475 1.00 22.17 C ATOM 133 CD1 PHE A 946 9.391 -4.133 16.691 1.00 18.72 C ATOM 134 CD2 PHE A 946 7.588 -5.625 16.124 1.00 22.44 C ATOM 135 CE1 PHE A 946 10.288 -5.174 16.589 1.00 23.37 C ATOM 136 CE2 PHE A 946 8.480 -6.682 16.018 1.00 22.89 C ATOM 137 CZ PHE A 946 9.844 -6.452 16.251 1.00 21.97 C ATOM 138 N GLU A 947 5.961 -3.939 13.703 1.00 19.24 N ATOM 139 CA GLU A 947 6.017 -4.883 12.554 1.00 20.13 C ATOM 140 C GLU A 947 6.348 -4.203 11.217 1.00 19.21 C ATOM 141 O GLU A 947 7.103 -4.748 10.429 1.00 19.28 O ATOM 142 CB GLU A 947 4.719 -5.702 12.420 1.00 21.09 C ATOM 143 CG GLU A 947 4.296 -6.425 13.711 1.00 27.05 C ATOM 144 CD GLU A 947 5.158 -7.633 14.106 1.00 35.91 C ATOM 145 OE1 GLU A 947 4.779 -8.300 15.118 1.00 39.48 O ATOM 146 OE2 GLU A 947 6.191 -7.941 13.432 1.00 39.08 O ATOM 147 N GLU A 948 5.770 -3.031 10.967 1.00 19.19 N ATOM 148 CA GLU A 948 6.116 -2.205 9.804 1.00 20.22 C ATOM 149 C GLU A 948 7.616 -1.862 9.746 1.00 17.76 C ATOM 150 O GLU A 948 8.274 -1.959 8.703 1.00 16.39 O ATOM 151 CB GLU A 948 5.338 -0.882 9.866 1.00 20.14 C ATOM 152 CG GLU A 948 3.900 -1.009 9.415 1.00 24.52 C ATOM 153 CD GLU A 948 3.051 0.214 9.756 1.00 25.97 C ATOM 154 OE1 GLU A 948 2.014 0.373 9.085 1.00 31.69 O ATOM 155 OE2 GLU A 948 3.390 1.002 10.707 1.00 34.37 O ATOM 156 N VAL A 949 8.139 -1.407 10.880 1.00 16.09 N ATOM 157 CA VAL A 949 9.543 -0.971 10.944 1.00 14.97 C ATOM 158 C VAL A 949 10.470 -2.163 10.715 1.00 15.05 C ATOM 159 O VAL A 949 11.378 -2.069 9.914 1.00 14.59 O ATOM 160 CB VAL A 949 9.885 -0.287 12.299 1.00 14.53 C ATOM 161 CG1 VAL A 949 11.407 -0.086 12.418 1.00 13.30 C ATOM 162 CG2 VAL A 949 9.145 1.049 12.424 1.00 12.58 C ATOM 163 N LYS A 950 10.233 -3.258 11.434 1.00 14.97 N ATOM 164 CA LYS A 950 10.988 -4.495 11.256 1.00 17.41 C ATOM 165 C LYS A 950 11.030 -4.894 9.774 1.00 16.91 C ATOM 166 O LYS A 950 12.105 -5.134 9.231 1.00 16.16 O ATOM 167 CB LYS A 950 10.367 -5.641 12.076 1.00 17.57 C ATOM 168 CG LYS A 950 11.251 -6.893 12.116 1.00 20.07 C ATOM 169 CD LYS A 950 10.527 -8.075 12.753 1.00 19.78 C ATOM 170 CE LYS A 950 11.349 -9.382 12.620 1.00 20.99 C ATOM 171 NZ LYS A 950 12.620 -9.348 13.459 1.00 20.48 N ATOM 172 N ARG A 951 9.845 -4.978 9.161 1.00 16.72 N ATOM 173 CA ARG A 951 9.717 -5.342 7.758 1.00 17.21 C ATOM 174 C ARG A 951 10.410 -4.348 6.809 1.00 16.86 C ATOM 175 O ARG A 951 11.105 -4.763 5.873 1.00 16.23 O ATOM 176 CB ARG A 951 8.239 -5.487 7.406 1.00 17.88 C ATOM 177 CG ARG A 951 8.001 -5.912 5.972 1.00 22.11 C ATOM 178 CD ARG A 951 8.687 -7.252 5.655 1.00 28.39 C ATOM 179 NE ARG A 951 8.474 -7.591 4.250 1.00 32.90 N ATOM 180 CZ ARG A 951 9.301 -8.324 3.518 1.00 34.41 C ATOM 181 NH1 ARG A 951 10.422 -8.811 4.056 1.00 33.89 N ATOM 182 NH2 ARG A 951 9.008 -8.549 2.236 1.00 35.66 N ATOM 183 N ALA A 952 10.219 -3.044 7.031 1.00 15.72 N ATOM 184 CA ALA A 952 10.937 -2.038 6.199 1.00 16.25 C ATOM 185 C ALA A 952 12.470 -2.146 6.305 1.00 15.97 C ATOM 186 O ALA A 952 13.177 -1.990 5.303 1.00 15.79 O ATOM 187 CB ALA A 952 10.486 -0.595 6.558 1.00 16.07 C ATOM 188 N LEU A 953 12.997 -2.367 7.514 1.00 16.55 N ATOM 189 CA LEU A 953 14.457 -2.504 7.673 1.00 17.11 C ATOM 190 C LEU A 953 14.980 -3.734 6.953 1.00 18.12 C ATOM 191 O LEU A 953 16.060 -3.679 6.350 1.00 18.20 O ATOM 192 CB LEU A 953 14.880 -2.533 9.148 1.00 17.29 C ATOM 193 CG LEU A 953 14.969 -1.147 9.802 1.00 17.83 C ATOM 194 CD1 LEU A 953 15.209 -1.242 11.298 1.00 20.95 C ATOM 195 CD2 LEU A 953 16.069 -0.334 9.183 1.00 17.11 C ATOM 196 N GLU A 954 14.217 -4.824 7.028 1.00 19.06 N ATOM 197 CA GLU A 954 14.517 -6.054 6.258 1.00 20.96 C ATOM 198 C GLU A 954 14.609 -5.749 4.767 1.00 20.50 C ATOM 199 O GLU A 954 15.634 -6.012 4.138 1.00 21.21 O ATOM 200 CB GLU A 954 13.401 -7.057 6.402 1.00 21.98 C ATOM 201 CG GLU A 954 13.321 -7.830 7.658 1.00 27.29 C ATOM 202 CD GLU A 954 12.130 -8.767 7.572 1.00 33.92 C ATOM 203 OE1 GLU A 954 12.101 -9.564 6.595 1.00 36.67 O ATOM 204 OE2 GLU A 954 11.212 -8.667 8.423 1.00 34.94 O ATOM 205 N ILE A 955 13.540 -5.181 4.222 1.00 19.90 N ATOM 206 CA ILE A 955 13.510 -4.794 2.809 1.00 19.70 C ATOM 207 C ILE A 955 14.711 -3.898 2.465 1.00 19.53 C ATOM 208 O ILE A 955 15.399 -4.135 1.459 1.00 19.01 O ATOM 209 CB ILE A 955 12.143 -4.176 2.424 1.00 19.91 C ATOM 210 CG1 ILE A 955 11.039 -5.239 2.467 1.00 21.27 C ATOM 211 CG2 ILE A 955 12.208 -3.484 1.069 1.00 18.24 C ATOM 212 CD1 ILE A 955 9.660 -4.667 2.389 1.00 24.83 C ATOM 213 N ALA A 956 14.975 -2.892 3.308 1.00 18.89 N ATOM 214 CA ALA A 956 16.082 -1.937 3.123 1.00 19.22 C ATOM 215 C ALA A 956 17.500 -2.446 3.433 1.00 19.57 C ATOM 216 O ALA A 956 18.461 -1.690 3.343 1.00 19.17 O ATOM 217 CB ALA A 956 15.809 -0.632 3.950 1.00 18.14 C ATOM 218 N GLN A 957 17.620 -3.708 3.831 1.00 20.22 N ATOM 219 CA GLN A 957 18.905 -4.294 4.193 1.00 21.37 C ATOM 220 C GLN A 957 19.596 -3.419 5.242 1.00 21.18 C ATOM 221 O GLN A 957 20.784 -3.086 5.128 1.00 21.60 O ATOM 222 CB GLN A 957 19.746 -4.561 2.928 1.00 20.73 C ATOM 223 CG GLN A 957 18.972 -5.415 1.870 1.00 21.88 C ATOM 224 CD GLN A 957 19.811 -5.776 0.625 1.00 25.70 C ATOM 225 OE1 GLN A 957 19.351 -6.498 -0.270 1.00 31.58 O ATOM 226 NE2 GLN A 957 21.026 -5.251 0.555 1.00 29.87 N ATOM 227 N ASN A 958 18.803 -3.022 6.256 1.00 20.59 N ATOM 228 CA ASN A 958 19.249 -2.232 7.416 1.00 20.10 C ATOM 229 C ASN A 958 19.674 -0.776 7.150 1.00 19.50 C ATOM 230 O ASN A 958 20.182 -0.102 8.037 1.00 18.91 O ATOM 231 CB ASN A 958 20.281 -3.017 8.264 1.00 20.82 C ATOM 232 CG ASN A 958 19.666 -4.225 8.922 1.00 23.32 C ATOM 233 OD1 ASN A 958 18.446 -4.258 9.166 1.00 24.18 O ATOM 234 ND2 ASN A 958 20.508 -5.253 9.227 1.00 24.54 N ATOM 235 N ASN A 959 19.373 -0.265 5.947 1.00 19.30 N ATOM 236 CA ASN A 959 19.645 1.143 5.638 1.00 19.26 C ATOM 237 C ASN A 959 18.477 1.988 6.176 1.00 18.66 C ATOM 238 O ASN A 959 17.332 1.845 5.702 1.00 17.58 O ATOM 239 CB ASN A 959 19.836 1.336 4.114 1.00 19.54 C ATOM 240 CG ASN A 959 20.173 2.750 3.750 1.00 20.03 C ATOM 241 OD1 ASN A 959 19.445 3.664 4.093 1.00 20.86 O ATOM 242 ND2 ASN A 959 21.289 2.944 3.046 1.00 21.48 N ATOM 243 N VAL A 960 18.770 2.855 7.154 1.00 17.79 N ATOM 244 CA VAL A 960 17.743 3.633 7.862 1.00 17.46 C ATOM 245 C VAL A 960 17.036 4.590 6.937 1.00 17.34 C ATOM 246 O VAL A 960 15.819 4.682 6.982 1.00 16.71 O ATOM 247 CB VAL A 960 18.296 4.401 9.100 1.00 17.58 C ATOM 248 CG1 VAL A 960 17.226 5.391 9.666 1.00 17.58 C ATOM 249 CG2 VAL A 960 18.614 3.420 10.173 1.00 18.59 C ATOM 250 N GLU A 961 17.818 5.260 6.081 1.00 18.12 N ATOM 251 CA GLU A 961 17.302 6.244 5.123 1.00 18.73 C ATOM 252 C GLU A 961 16.330 5.565 4.142 1.00 17.37 C ATOM 253 O GLU A 961 15.257 6.080 3.820 1.00 15.69 O ATOM 254 CB GLU A 961 18.479 6.883 4.366 1.00 20.54 C ATOM 255 CG GLU A 961 19.542 7.652 5.219 1.00 25.83 C ATOM 256 CD GLU A 961 20.286 6.835 6.339 1.00 34.48 C ATOM 257 OE1 GLU A 961 20.618 5.618 6.174 1.00 33.46 O ATOM 258 OE2 GLU A 961 20.574 7.457 7.412 1.00 37.58 O ATOM 259 N VAL A 962 16.696 4.379 3.682 1.00 16.06 N ATOM 260 CA VAL A 962 15.821 3.643 2.740 1.00 14.62 C ATOM 261 C VAL A 962 14.570 3.109 3.422 1.00 13.77 C ATOM 262 O VAL A 962 13.469 3.263 2.888 1.00 12.59 O ATOM 263 CB VAL A 962 16.586 2.517 2.020 1.00 14.95 C ATOM 264 CG1 VAL A 962 15.604 1.636 1.219 1.00 16.20 C ATOM 265 CG2 VAL A 962 17.646 3.129 1.113 1.00 15.05 C ATOM 266 N ALA A 963 14.725 2.501 4.603 1.00 13.06 N ATOM 267 CA ALA A 963 13.558 2.036 5.372 1.00 12.62 C ATOM 268 C ALA A 963 12.602 3.200 5.638 1.00 13.30 C ATOM 269 O ALA A 963 11.372 3.030 5.594 1.00 12.87 O ATOM 270 CB ALA A 963 14.017 1.460 6.683 1.00 12.30 C ATOM 271 N ARG A 964 13.166 4.363 5.970 1.00 13.98 N ATOM 272 CA ARG A 964 12.335 5.544 6.280 1.00 14.53 C ATOM 273 C ARG A 964 11.527 5.917 5.052 1.00 15.51 C ATOM 274 O ARG A 964 10.322 6.171 5.163 1.00 16.48 O ATOM 275 CB ARG A 964 13.184 6.742 6.742 1.00 14.45 C ATOM 276 CG ARG A 964 12.313 8.033 6.924 1.00 15.17 C ATOM 277 CD ARG A 964 13.161 9.205 7.412 1.00 16.13 C ATOM 278 NE ARG A 964 13.790 8.946 8.709 1.00 18.52 N ATOM 279 CZ ARG A 964 15.095 8.886 8.939 1.00 21.13 C ATOM 280 NH1 ARG A 964 15.988 9.052 7.960 1.00 23.08 N ATOM 281 NH2 ARG A 964 15.506 8.633 10.165 1.00 23.86 N ATOM 282 N SER A 965 12.179 5.935 3.882 1.00 16.02 N ATOM 283 CA SER A 965 11.463 6.232 2.635 1.00 16.76 C ATOM 284 C SER A 965 10.337 5.235 2.375 1.00 16.38 C ATOM 285 O SER A 965 9.268 5.613 1.915 1.00 16.10 O ATOM 286 CB SER A 965 12.414 6.288 1.441 1.00 16.78 C ATOM 287 OG SER A 965 13.381 7.313 1.601 1.00 18.77 O ATOM 288 N ILE A 966 10.565 3.960 2.688 1.00 16.68 N ATOM 289 CA ILE A 966 9.520 2.951 2.545 1.00 16.83 C ATOM 290 C ILE A 966 8.338 3.233 3.471 1.00 16.76 C ATOM 291 O ILE A 966 7.189 3.230 3.043 1.00 17.67 O ATOM 292 CB ILE A 966 10.076 1.522 2.751 1.00 17.17 C ATOM 293 CG1 ILE A 966 11.063 1.174 1.616 1.00 17.80 C ATOM 294 CG2 ILE A 966 8.929 0.499 2.906 1.00 16.81 C ATOM 295 CD1 ILE A 966 11.973 -0.020 1.936 1.00 16.60 C ATOM 296 N LEU A 967 8.635 3.533 4.731 1.00 17.19 N ATOM 297 CA LEU A 967 7.627 3.764 5.731 1.00 17.32 C ATOM 298 C LEU A 967 6.756 4.987 5.370 1.00 18.40 C ATOM 299 O LEU A 967 5.510 4.943 5.494 1.00 17.81 O ATOM 300 CB LEU A 967 8.310 3.930 7.092 1.00 17.93 C ATOM 301 CG LEU A 967 8.896 2.623 7.660 1.00 17.63 C ATOM 302 CD1 LEU A 967 9.919 2.883 8.805 1.00 14.10 C ATOM 303 CD2 LEU A 967 7.760 1.644 8.073 1.00 17.92 C ATOM 304 N ARG A 968 7.409 6.044 4.893 1.00 18.46 N ATOM 305 CA ARG A 968 6.708 7.288 4.490 1.00 20.93 C ATOM 306 C ARG A 968 5.846 7.060 3.263 1.00 21.84 C ATOM 307 O ARG A 968 4.677 7.513 3.190 1.00 22.36 O ATOM 308 CB ARG A 968 7.692 8.402 4.171 1.00 20.14 C ATOM 309 CG ARG A 968 8.350 8.960 5.402 1.00 25.01 C ATOM 310 CD ARG A 968 9.139 10.223 5.118 1.00 29.15 C ATOM 311 NE ARG A 968 9.661 10.700 6.389 1.00 33.37 N ATOM 312 CZ ARG A 968 10.520 11.700 6.566 1.00 32.20 C ATOM 313 NH1 ARG A 968 10.908 12.008 7.804 1.00 27.89 N ATOM 314 NH2 ARG A 968 10.985 12.375 5.523 1.00 33.89 N ATOM 315 N GLU A 969 6.425 6.359 2.300 1.00 22.31 N ATOM 316 CA GLU A 969 5.743 6.109 1.036 1.00 24.33 C ATOM 317 C GLU A 969 4.463 5.289 1.207 1.00 24.53 C ATOM 318 O GLU A 969 3.438 5.560 0.556 1.00 24.35 O ATOM 319 CB GLU A 969 6.678 5.360 0.085 1.00 24.06 C ATOM 320 CG GLU A 969 6.127 5.244 -1.347 1.00 29.10 C ATOM 321 CD GLU A 969 6.044 6.577 -2.082 1.00 34.27 C ATOM 322 OE1 GLU A 969 5.378 6.619 -3.129 1.00 39.51 O ATOM 323 OE2 GLU A 969 6.639 7.578 -1.637 1.00 37.63 O ATOM 324 N PHE A 970 4.525 4.273 2.052 1.00 24.55 N ATOM 325 CA PHE A 970 3.456 3.286 2.101 1.00 25.97 C ATOM 326 C PHE A 970 2.610 3.345 3.363 1.00 27.21 C ATOM 327 O PHE A 970 1.783 2.479 3.595 1.00 26.50 O ATOM 328 CB PHE A 970 4.023 1.890 1.831 1.00 26.09 C ATOM 329 CG PHE A 970 4.629 1.769 0.463 1.00 26.16 C ATOM 330 CD1 PHE A 970 3.808 1.628 -0.664 1.00 26.05 C ATOM 331 CD2 PHE A 970 6.009 1.856 0.286 1.00 26.32 C ATOM 332 CE1 PHE A 970 4.364 1.557 -1.939 1.00 24.95 C ATOM 333 CE2 PHE A 970 6.577 1.763 -1.002 1.00 28.33 C ATOM 334 CZ PHE A 970 5.745 1.613 -2.107 1.00 27.54 C ATOM 335 N ALA A 971 2.812 4.398 4.158 1.00 29.22 N ATOM 336 CA ALA A 971 1.981 4.693 5.334 1.00 30.95 C ATOM 337 C ALA A 971 0.496 4.713 4.985 1.00 32.25 C ATOM 338 O ALA A 971 0.099 5.245 3.938 1.00 32.15 O ATOM 339 CB ALA A 971 2.394 6.027 5.952 1.00 30.98 C ATOM 340 N PHE A 972 -0.302 4.096 5.858 1.00 33.86 N ATOM 341 CA PHE A 972 -1.773 4.142 5.799 1.00 34.87 C ATOM 342 C PHE A 972 -2.341 4.236 7.217 1.00 35.41 C ATOM 343 O PHE A 972 -2.067 3.351 8.036 1.00 35.98 O ATOM 344 CB PHE A 972 -2.356 2.909 5.090 1.00 35.34 C ATOM 345 CG PHE A 972 -3.854 2.735 5.300 1.00 35.30 C ATOM 346 CD1 PHE A 972 -4.354 1.620 5.991 1.00 36.88 C ATOM 347 CD2 PHE A 972 -4.757 3.690 4.824 1.00 35.91 C ATOM 348 CE1 PHE A 972 -5.755 1.436 6.202 1.00 36.25 C ATOM 349 CE2 PHE A 972 -6.152 3.528 5.025 1.00 37.16 C ATOM 350 CZ PHE A 972 -6.655 2.390 5.723 1.00 36.52 C ATOM 352 N MET B 1 20.321 -9.325 38.937 1.00 15.91 N ATOM 353 CA MET B 1 21.299 -9.028 37.853 1.00 16.40 C ATOM 354 C MET B 1 20.905 -7.682 37.267 1.00 15.70 C ATOM 355 O MET B 1 19.831 -7.153 37.582 1.00 16.27 O ATOM 356 CB MET B 1 21.305 -10.119 36.761 1.00 16.69 C ATOM 357 CG MET B 1 20.079 -10.100 35.815 1.00 17.98 C ATOM 358 SD MET B 1 20.020 -11.386 34.565 1.00 19.50 S ATOM 359 CE MET B 1 18.488 -11.049 33.684 1.00 17.01 C ATOM 360 N GLN B 2 21.791 -7.106 36.469 1.00 14.74 N ATOM 361 CA GLN B 2 21.512 -5.795 35.892 1.00 14.23 C ATOM 362 C GLN B 2 21.237 -5.914 34.401 1.00 12.75 C ATOM 363 O GLN B 2 21.849 -6.714 33.695 1.00 13.93 O ATOM 364 CB GLN B 2 22.687 -4.843 36.133 1.00 14.95 C ATOM 365 CG GLN B 2 22.796 -4.411 37.590 1.00 18.19 C ATOM 366 CD GLN B 2 23.895 -3.378 37.781 1.00 22.13 C ATOM 367 OE1 GLN B 2 24.858 -3.319 36.991 1.00 23.72 O ATOM 368 NE2 GLN B 2 23.733 -2.534 38.778 1.00 24.57 N ATOM 369 N ILE B 3 20.286 -5.118 33.931 1.00 12.78 N ATOM 370 CA ILE B 3 20.130 -4.925 32.491 1.00 11.71 C ATOM 371 C ILE B 3 20.059 -3.410 32.263 1.00 11.58 C ATOM 372 O ILE B 3 19.826 -2.633 33.208 1.00 11.80 O ATOM 373 CB ILE B 3 18.851 -5.654 31.903 1.00 11.23 C ATOM 374 CG1 ILE B 3 17.584 -5.070 32.515 1.00 11.17 C ATOM 375 CG2 ILE B 3 18.933 -7.205 32.098 1.00 9.27 C ATOM 376 CD1 ILE B 3 16.283 -5.463 31.734 1.00 13.21 C ATOM 377 N PHE B 4 20.244 -3.008 31.012 1.00 11.67 N ATOM 378 CA PHE B 4 20.170 -1.599 30.620 1.00 12.26 C ATOM 379 C PHE B 4 19.021 -1.347 29.680 1.00 11.72 C ATOM 380 O PHE B 4 18.667 -2.199 28.896 1.00 12.11 O ATOM 381 CB PHE B 4 21.488 -1.156 29.947 1.00 11.90 C ATOM 382 CG PHE B 4 22.704 -1.530 30.759 1.00 12.69 C ATOM 383 CD1 PHE B 4 23.541 -2.564 30.356 1.00 15.11 C ATOM 384 CD2 PHE B 4 22.936 -0.902 31.981 1.00 15.48 C ATOM 385 CE1 PHE B 4 24.653 -2.943 31.146 1.00 12.97 C ATOM 386 CE2 PHE B 4 24.035 -1.287 32.798 1.00 15.06 C ATOM 387 CZ PHE B 4 24.870 -2.308 32.372 1.00 12.98 C ATOM 388 N VAL B 5 18.476 -0.141 29.757 1.00 12.97 N ATOM 389 CA VAL B 5 17.427 0.305 28.835 1.00 12.93 C ATOM 390 C VAL B 5 17.846 1.658 28.252 1.00 12.96 C ATOM 391 O VAL B 5 18.009 2.625 28.978 1.00 14.02 O ATOM 392 CB VAL B 5 16.040 0.423 29.538 1.00 13.18 C ATOM 393 CG1 VAL B 5 14.976 0.899 28.508 1.00 13.28 C ATOM 394 CG2 VAL B 5 15.622 -0.923 30.172 1.00 12.09 C ATOM 395 N LYS B 6 18.068 1.675 26.947 1.00 12.80 N ATOM 396 CA LYS B 6 18.452 2.871 26.195 1.00 14.00 C ATOM 397 C LYS B 6 17.207 3.571 25.690 1.00 13.97 C ATOM 398 O LYS B 6 16.349 2.923 25.088 1.00 12.79 O ATOM 399 CB LYS B 6 19.285 2.428 25.005 1.00 13.69 C ATOM 400 CG LYS B 6 19.708 3.496 24.002 1.00 20.23 C ATOM 401 CD LYS B 6 20.974 2.989 23.329 1.00 29.71 C ATOM 402 CE LYS B 6 21.015 3.192 21.783 1.00 31.41 C ATOM 403 NZ LYS B 6 21.969 2.227 21.172 1.00 28.51 N ATOM 404 N THR B 7 17.114 4.890 25.926 1.00 13.01 N ATOM 405 CA THR B 7 15.955 5.683 25.458 1.00 13.24 C ATOM 406 C THR B 7 16.374 6.496 24.228 1.00 13.62 C ATOM 407 O THR B 7 17.570 6.659 23.974 1.00 13.94 O ATOM 408 CB THR B 7 15.444 6.644 26.529 1.00 12.98 C ATOM 409 OG1 THR B 7 16.372 7.736 26.633 1.00 14.88 O ATOM 410 CG2 THR B 7 15.282 5.922 27.921 1.00 14.12 C ATOM 411 N LEU B 8 15.407 7.033 23.483 1.00 13.25 N ATOM 412 CA LEU B 8 15.754 7.760 22.274 1.00 15.24 C ATOM 413 C LEU B 8 16.339 9.148 22.562 1.00 16.60 C ATOM 414 O LEU B 8 16.873 9.799 21.653 1.00 15.75 O ATOM 415 CB LEU B 8 14.545 7.870 21.332 1.00 14.86 C ATOM 416 CG LEU B 8 14.107 6.528 20.732 1.00 15.58 C ATOM 417 CD1 LEU B 8 12.753 6.631 20.075 1.00 17.48 C ATOM 418 CD2 LEU B 8 15.161 6.117 19.698 1.00 16.07 C ATOM 419 N THR B 9 16.202 9.602 23.805 1.00 18.43 N ATOM 420 CA THR B 9 16.784 10.888 24.216 1.00 20.26 C ATOM 421 C THR B 9 18.248 10.739 24.626 1.00 21.05 C ATOM 422 O THR B 9 18.882 11.714 25.030 1.00 22.09 O ATOM 423 CB THR B 9 15.991 11.564 25.345 1.00 20.11 C ATOM 424 OG1 THR B 9 16.061 10.777 26.554 1.00 21.14 O ATOM 425 CG2 THR B 9 14.558 11.751 24.910 1.00 19.69 C ATOM 426 N GLY B 10 18.769 9.527 24.482 1.00 19.19 N ATOM 427 CA GLY B 10 20.146 9.197 24.802 1.00 20.20 C ATOM 428 C GLY B 10 20.370 8.687 26.216 1.00 19.93 C ATOM 429 O GLY B 10 21.514 8.465 26.602 1.00 20.74 O ATOM 430 N LYS B 11 19.306 8.554 27.019 1.00 18.89 N ATOM 431 CA LYS B 11 19.500 8.068 28.399 1.00 19.18 C ATOM 432 C LYS B 11 19.715 6.546 28.457 1.00 18.08 C ATOM 433 O LYS B 11 19.099 5.819 27.671 1.00 18.04 O ATOM 434 CB LYS B 11 18.351 8.474 29.346 1.00 19.46 C ATOM 435 CG LYS B 11 18.521 7.807 30.728 1.00 24.05 C ATOM 436 CD LYS B 11 17.949 8.515 31.931 1.00 31.27 C ATOM 437 CE LYS B 11 18.931 8.427 33.159 1.00 33.41 C ATOM 438 NZ LYS B 11 19.517 7.078 33.510 1.00 33.80 N ATOM 439 N THR B 12 20.602 6.091 29.361 1.00 16.97 N ATOM 440 CA THR B 12 20.765 4.664 29.717 1.00 16.20 C ATOM 441 C THR B 12 20.286 4.452 31.164 1.00 16.98 C ATOM 442 O THR B 12 20.892 4.972 32.132 1.00 17.54 O ATOM 443 CB THR B 12 22.215 4.180 29.600 1.00 16.18 C ATOM 444 OG1 THR B 12 22.655 4.288 28.241 1.00 15.87 O ATOM 445 CG2 THR B 12 22.359 2.692 30.042 1.00 17.82 C ATOM 446 N ILE B 13 19.191 3.713 31.301 1.00 15.35 N ATOM 447 CA ILE B 13 18.602 3.373 32.594 1.00 15.55 C ATOM 448 C ILE B 13 19.157 2.005 32.996 1.00 14.70 C ATOM 449 O ILE B 13 19.183 1.108 32.173 1.00 13.51 O ATOM 450 CB ILE B 13 17.055 3.271 32.470 1.00 15.31 C ATOM 451 CG1 ILE B 13 16.469 4.570 31.870 1.00 17.04 C ATOM 452 CG2 ILE B 13 16.414 2.926 33.820 1.00 16.42 C ATOM 453 CD1 ILE B 13 15.091 4.425 31.274 1.00 19.50 C ATOM 454 N THR B 14 19.614 1.861 34.237 1.00 13.93 N ATOM 455 CA THR B 14 20.043 0.539 34.723 1.00 14.56 C ATOM 456 C THR B 14 18.952 -0.013 35.627 1.00 14.87 C ATOM 457 O THR B 14 18.435 0.696 36.510 1.00 15.34 O ATOM 458 CB THR B 14 21.367 0.617 35.511 1.00 15.33 C ATOM 459 OG1 THR B 14 22.364 1.190 34.676 1.00 14.53 O ATOM 460 CG2 THR B 14 21.848 -0.795 35.914 1.00 15.54 C ATOM 461 N LEU B 15 18.588 -1.275 35.408 1.00 13.90 N ATOM 462 CA LEU B 15 17.535 -1.891 36.207 1.00 14.97 C ATOM 463 C LEU B 15 18.125 -3.053 36.960 1.00 14.85 C ATOM 464 O LEU B 15 19.019 -3.723 36.445 1.00 14.36 O ATOM 465 CB LEU B 15 16.443 -2.420 35.279 1.00 14.12 C ATOM 466 CG LEU B 15 15.231 -1.579 34.875 1.00 18.21 C ATOM 467 CD1 LEU B 15 15.116 -0.048 35.311 1.00 13.78 C ATOM 468 CD2 LEU B 15 14.719 -1.962 33.470 1.00 15.04 C ATOM 469 N GLU B 16 17.585 -3.287 38.151 1.00 14.77 N ATOM 470 CA GLU B 16 17.862 -4.469 38.966 1.00 16.25 C ATOM 471 C GLU B 16 16.737 -5.492 38.754 1.00 16.07 C ATOM 472 O GLU B 16 15.584 -5.227 39.081 1.00 17.13 O ATOM 473 CB GLU B 16 17.880 -4.025 40.423 1.00 17.13 C ATOM 474 CG GLU B 16 18.931 -4.662 41.287 1.00 23.20 C ATOM 475 CD GLU B 16 20.347 -4.659 40.685 1.00 23.29 C ATOM 476 OE1 GLU B 16 21.108 -3.625 40.657 1.00 25.58 O ATOM 477 OE2 GLU B 16 20.690 -5.752 40.256 1.00 24.18 O ATOM 478 N VAL B 17 17.066 -6.629 38.169 1.00 15.60 N ATOM 479 CA VAL B 17 16.038 -7.594 37.731 1.00 15.51 C ATOM 480 C VAL B 17 16.452 -9.035 38.048 1.00 16.38 C ATOM 481 O VAL B 17 17.625 -9.301 38.332 1.00 17.00 O ATOM 482 CB VAL B 17 15.721 -7.452 36.193 1.00 14.95 C ATOM 483 CG1 VAL B 17 15.222 -6.034 35.841 1.00 13.62 C ATOM 484 CG2 VAL B 17 16.950 -7.822 35.326 1.00 14.38 C ATOM 485 N GLU B 18 15.497 -9.963 37.974 1.00 16.26 N ATOM 486 CA GLU B 18 15.820 -11.380 37.980 1.00 17.82 C ATOM 487 C GLU B 18 15.400 -11.942 36.640 1.00 17.52 C ATOM 488 O GLU B 18 14.523 -11.365 36.004 1.00 16.89 O ATOM 489 CB GLU B 18 15.067 -12.101 39.128 1.00 19.08 C ATOM 490 CG GLU B 18 15.542 -11.721 40.530 1.00 23.64 C ATOM 491 CD GLU B 18 17.028 -11.973 40.789 1.00 28.22 C ATOM 492 OE1 GLU B 18 17.675 -12.767 40.078 1.00 34.41 O ATOM 493 OE2 GLU B 18 17.567 -11.361 41.717 1.00 32.93 O ATOM 494 N PRO B 19 16.000 -13.079 36.205 1.00 17.76 N ATOM 495 CA PRO B 19 15.601 -13.705 34.948 1.00 17.64 C ATOM 496 C PRO B 19 14.102 -13.986 34.845 1.00 16.53 C ATOM 497 O PRO B 19 13.555 -13.923 33.755 1.00 16.64 O ATOM 498 CB PRO B 19 16.400 -15.025 34.964 1.00 17.83 C ATOM 499 CG PRO B 19 17.640 -14.650 35.706 1.00 20.25 C ATOM 500 CD PRO B 19 17.104 -13.833 36.849 1.00 18.14 C ATOM 501 N SER B 20 13.447 -14.260 35.975 1.00 16.01 N ATOM 502 CA SER B 20 12.006 -14.581 36.005 1.00 16.35 C ATOM 503 C SER B 20 11.091 -13.358 35.996 1.00 16.55 C ATOM 504 O SER B 20 9.862 -13.504 35.968 1.00 15.67 O ATOM 505 CB SER B 20 11.702 -15.445 37.259 1.00 16.18 C ATOM 506 OG SER B 20 12.043 -14.709 38.434 1.00 16.54 O ATOM 507 N ASP B 21 11.659 -12.144 36.052 1.00 16.21 N ATOM 508 CA ASP B 21 10.830 -10.924 36.009 1.00 16.71 C ATOM 509 C ASP B 21 10.072 -10.896 34.687 1.00 16.47 C ATOM 510 O ASP B 21 10.676 -11.103 33.613 1.00 15.25 O ATOM 511 CB ASP B 21 11.670 -9.626 36.155 1.00 16.96 C ATOM 512 CG ASP B 21 12.139 -9.360 37.593 1.00 20.97 C ATOM 513 OD1 ASP B 21 11.796 -10.126 38.511 1.00 25.48 O ATOM 514 OD2 ASP B 21 12.862 -8.372 37.800 1.00 20.86 O ATOM 515 N THR B 22 8.771 -10.611 34.767 1.00 16.43 N ATOM 516 CA THR B 22 7.955 -10.412 33.564 1.00 16.21 C ATOM 517 C THR B 22 8.250 -9.091 32.916 1.00 15.80 C ATOM 518 O THR B 22 8.744 -8.196 33.574 1.00 14.79 O ATOM 519 CB THR B 22 6.443 -10.454 33.847 1.00 17.05 C ATOM 520 OG1 THR B 22 6.044 -9.344 34.666 1.00 17.18 O ATOM 521 CG2 THR B 22 6.110 -11.763 34.518 1.00 19.08 C ATOM 522 N ILE B 23 7.883 -8.953 31.642 1.00 14.89 N ATOM 523 CA ILE B 23 8.051 -7.697 30.942 1.00 15.50 C ATOM 524 C ILE B 23 7.244 -6.592 31.655 1.00 15.93 C ATOM 525 O ILE B 23 7.703 -5.453 31.758 1.00 15.88 O ATOM 526 CB ILE B 23 7.691 -7.825 29.446 1.00 15.10 C ATOM 527 CG1 ILE B 23 8.600 -8.868 28.757 1.00 15.06 C ATOM 528 CG2 ILE B 23 7.818 -6.463 28.726 1.00 16.29 C ATOM 529 CD1 ILE B 23 10.102 -8.661 29.000 1.00 15.53 C ATOM 530 N GLU B 24 6.063 -6.930 32.170 1.00 15.42 N ATOM 531 CA GLU B 24 5.291 -5.936 32.917 1.00 17.03 C ATOM 532 C GLU B 24 6.033 -5.475 34.183 1.00 16.28 C ATOM 533 O GLU B 24 6.012 -4.289 34.507 1.00 16.62 O ATOM 534 CB GLU B 24 3.891 -6.472 33.265 1.00 17.92 C ATOM 535 CG GLU B 24 2.949 -5.431 33.925 1.00 23.25 C ATOM 536 CD GLU B 24 2.451 -4.325 32.966 1.00 26.62 C ATOM 537 OE1 GLU B 24 2.527 -4.438 31.729 1.00 29.92 O ATOM 538 OE2 GLU B 24 1.962 -3.307 33.467 1.00 30.11 O ATOM 539 N ASN B 25 6.655 -6.409 34.899 1.00 16.22 N ATOM 540 CA ASN B 25 7.526 -6.083 36.031 1.00 16.41 C ATOM 541 C ASN B 25 8.602 -5.061 35.587 1.00 15.60 C ATOM 542 O ASN B 25 8.905 -4.097 36.306 1.00 15.08 O ATOM 543 CB ASN B 25 8.282 -7.327 36.564 1.00 16.96 C ATOM 544 CG ASN B 25 7.413 -8.334 37.363 1.00 21.32 C ATOM 545 OD1 ASN B 25 7.842 -9.512 37.609 1.00 22.35 O ATOM 546 ND2 ASN B 25 6.232 -7.910 37.773 1.00 21.97 N ATOM 547 N VAL B 26 9.227 -5.328 34.436 1.00 14.67 N ATOM 548 CA VAL B 26 10.305 -4.467 33.933 1.00 14.54 C ATOM 549 C VAL B 26 9.775 -3.046 33.646 1.00 15.03 C ATOM 550 O VAL B 26 10.411 -2.029 33.993 1.00 14.94 O ATOM 551 CB VAL B 26 10.979 -5.095 32.701 1.00 14.22 C ATOM 552 CG1 VAL B 26 11.804 -4.071 31.936 1.00 15.08 C ATOM 553 CG2 VAL B 26 11.841 -6.296 33.129 1.00 15.55 C ATOM 554 N LYS B 27 8.605 -2.991 33.020 1.00 14.54 N ATOM 555 CA LYS B 27 7.909 -1.722 32.764 1.00 14.54 C ATOM 556 C LYS B 27 7.617 -0.940 34.046 1.00 15.23 C ATOM 557 O LYS B 27 7.796 0.282 34.094 1.00 15.55 O ATOM 558 CB LYS B 27 6.620 -2.007 31.995 1.00 15.49 C ATOM 559 CG LYS B 27 6.895 -2.394 30.518 1.00 14.74 C ATOM 560 CD LYS B 27 5.561 -2.647 29.710 1.00 14.76 C ATOM 561 CE LYS B 27 5.846 -3.019 28.255 1.00 15.49 C ATOM 562 NZ LYS B 27 4.525 -2.903 27.576 1.00 21.95 N ATOM 563 N ALA B 28 7.185 -1.660 35.081 1.00 14.94 N ATOM 564 CA ALA B 28 6.938 -1.087 36.411 1.00 15.55 C ATOM 565 C ALA B 28 8.223 -0.495 37.024 1.00 15.22 C ATOM 566 O ALA B 28 8.191 0.585 37.606 1.00 15.26 O ATOM 567 CB ALA B 28 6.317 -2.161 37.330 1.00 16.07 C ATOM 568 N LYS B 29 9.342 -1.204 36.892 1.00 14.81 N ATOM 569 CA LYS B 29 10.652 -0.682 37.334 1.00 14.63 C ATOM 570 C LYS B 29 11.085 0.565 36.579 1.00 15.05 C ATOM 571 O LYS B 29 11.622 1.500 37.157 1.00 14.93 O ATOM 572 CB LYS B 29 11.731 -1.764 37.181 1.00 14.83 C ATOM 573 CG LYS B 29 11.565 -2.939 38.133 1.00 15.17 C ATOM 574 CD LYS B 29 12.550 -4.041 37.802 1.00 17.16 C ATOM 575 CE LYS B 29 12.213 -5.304 38.547 1.00 20.24 C ATOM 576 NZ LYS B 29 12.605 -5.104 39.938 1.00 23.73 N ATOM 577 N ILE B 30 10.886 0.573 35.270 1.00 15.34 N ATOM 578 CA ILE B 30 11.157 1.768 34.476 1.00 15.65 C ATOM 579 C ILE B 30 10.274 2.938 34.931 1.00 17.37 C ATOM 580 O ILE B 30 10.749 4.083 35.077 1.00 18.37 O ATOM 581 CB ILE B 30 10.946 1.490 32.980 1.00 15.67 C ATOM 582 CG1 ILE B 30 11.958 0.455 32.485 1.00 15.70 C ATOM 583 CG2 ILE B 30 11.060 2.804 32.162 1.00 15.16 C ATOM 584 CD1 ILE B 30 11.792 0.123 31.004 1.00 11.25 C ATOM 585 N GLN B 31 9.004 2.663 35.178 1.00 18.29 N ATOM 586 CA GLN B 31 8.119 3.688 35.755 1.00 20.51 C ATOM 587 C GLN B 31 8.627 4.220 37.100 1.00 21.50 C ATOM 588 O GLN B 31 8.598 5.417 37.319 1.00 21.57 O ATOM 589 CB GLN B 31 6.713 3.131 35.943 1.00 20.55 C ATOM 590 CG GLN B 31 5.721 4.104 36.593 1.00 22.20 C ATOM 591 CD GLN B 31 4.377 3.475 36.784 1.00 22.00 C ATOM 592 OE1 GLN B 31 4.271 2.268 36.997 1.00 26.92 O ATOM 593 NE2 GLN B 31 3.329 4.275 36.685 1.00 23.37 N ATOM 594 N ASP B 32 9.039 3.329 38.004 1.00 22.74 N ATOM 595 CA ASP B 32 9.551 3.744 39.332 1.00 25.02 C ATOM 596 C ASP B 32 10.720 4.673 39.203 1.00 26.50 C ATOM 597 O ASP B 32 10.798 5.683 39.902 1.00 26.87 O ATOM 598 CB ASP B 32 9.944 2.548 40.191 1.00 25.21 C ATOM 599 CG ASP B 32 8.746 1.744 40.632 1.00 26.49 C ATOM 600 OD1 ASP B 32 8.930 0.636 41.159 1.00 28.74 O ATOM 601 OD2 ASP B 32 7.607 2.221 40.446 1.00 28.32 O ATOM 602 N LYS B 33 11.632 4.380 38.292 1.00 28.14 N ATOM 603 CA LYS B 33 12.768 5.278 38.214 1.00 30.00 C ATOM 604 C LYS B 33 12.706 6.460 37.225 1.00 30.34 C ATOM 605 O LYS B 33 13.441 7.432 37.409 1.00 30.91 O ATOM 606 CB LYS B 33 14.088 4.523 38.217 1.00 30.67 C ATOM 607 CG LYS B 33 14.464 3.806 36.989 1.00 31.19 C ATOM 608 CD LYS B 33 15.953 3.581 37.087 1.00 32.07 C ATOM 609 CE LYS B 33 16.342 2.813 38.335 1.00 31.66 C ATOM 610 NZ LYS B 33 17.812 2.883 38.485 1.00 31.25 N ATOM 611 N GLU B 34 11.787 6.414 36.262 1.00 30.72 N ATOM 612 CA GLU B 34 11.649 7.453 35.240 1.00 31.62 C ATOM 613 C GLU B 34 10.294 8.164 35.125 1.00 31.65 C ATOM 614 O GLU B 34 10.196 9.194 34.462 1.00 32.00 O ATOM 615 CB GLU B 34 12.047 6.886 33.867 1.00 32.17 C ATOM 616 CG GLU B 34 13.501 6.419 33.817 1.00 32.97 C ATOM 617 CD GLU B 34 14.459 7.569 33.652 1.00 37.21 C ATOM 618 OE1 GLU B 34 14.128 8.471 32.841 1.00 38.91 O ATOM 619 OE2 GLU B 34 15.519 7.586 34.331 1.00 37.72 O ATOM 620 N GLY B 35 9.245 7.618 35.727 1.00 31.32 N ATOM 621 CA GLY B 35 7.917 8.229 35.617 1.00 31.36 C ATOM 622 C GLY B 35 7.029 7.882 34.430 1.00 31.77 C ATOM 623 O GLY B 35 5.921 8.424 34.301 1.00 32.59 O ATOM 624 N ILE B 36 7.478 6.972 33.564 1.00 31.04 N ATOM 625 CA ILE B 36 6.678 6.585 32.409 1.00 30.20 C ATOM 626 C ILE B 36 5.754 5.436 32.767 1.00 29.37 C ATOM 627 O ILE B 36 6.252 4.397 33.197 1.00 29.40 O ATOM 628 CB ILE B 36 7.576 6.132 31.218 1.00 30.44 C ATOM 629 CG1 ILE B 36 8.696 7.150 30.982 1.00 31.04 C ATOM 630 CG2 ILE B 36 6.702 5.904 29.954 1.00 29.85 C ATOM 631 CD1 ILE B 36 10.019 6.576 30.547 1.00 30.80 C ATOM 632 N PRO B 37 4.419 5.603 32.567 1.00 28.29 N ATOM 633 CA PRO B 37 3.463 4.528 32.750 1.00 27.75 C ATOM 634 C PRO B 37 3.795 3.353 31.832 1.00 26.72 C ATOM 635 O PRO B 37 4.243 3.579 30.699 1.00 25.06 O ATOM 636 CB PRO B 37 2.131 5.160 32.341 1.00 27.98 C ATOM 637 CG PRO B 37 2.349 6.638 32.572 1.00 29.61 C ATOM 638 CD PRO B 37 3.748 6.847 32.141 1.00 29.11 C ATOM 639 N PRO B 38 3.630 2.112 32.343 1.00 26.76 N ATOM 640 CA PRO B 38 3.782 0.895 31.552 1.00 27.16 C ATOM 641 C PRO B 38 3.072 0.916 30.191 1.00 28.28 C ATOM 642 O PRO B 38 3.617 0.388 29.233 1.00 28.29 O ATOM 643 CB PRO B 38 3.233 -0.182 32.477 1.00 27.53 C ATOM 644 CG PRO B 38 3.655 0.308 33.833 1.00 27.04 C ATOM 645 CD PRO B 38 3.378 1.796 33.767 1.00 26.73 C ATOM 646 N ASP B 39 1.892 1.534 30.082 1.00 29.12 N ATOM 647 CA ASP B 39 1.203 1.526 28.784 1.00 29.42 C ATOM 648 C ASP B 39 1.763 2.486 27.734 1.00 28.73 C ATOM 649 O ASP B 39 1.391 2.397 26.552 1.00 30.24 O ATOM 650 CB ASP B 39 -0.316 1.689 28.901 1.00 30.44 C ATOM 651 CG ASP B 39 -0.711 2.815 29.777 1.00 31.39 C ATOM 652 OD1 ASP B 39 -1.710 2.618 30.475 1.00 34.65 O ATOM 653 OD2 ASP B 39 -0.037 3.874 29.804 1.00 33.73 O ATOM 654 N GLN B 40 2.624 3.407 28.143 1.00 27.04 N ATOM 655 CA GLN B 40 3.356 4.207 27.169 1.00 25.59 C ATOM 656 C GLN B 40 4.691 3.622 26.712 1.00 22.77 C ATOM 657 O GLN B 40 5.397 4.256 25.942 1.00 21.80 O ATOM 658 CB GLN B 40 3.539 5.623 27.659 1.00 26.47 C ATOM 659 CG GLN B 40 2.194 6.356 27.593 1.00 30.34 C ATOM 660 CD GLN B 40 2.044 7.350 28.667 1.00 33.09 C ATOM 661 OE1 GLN B 40 0.974 7.437 29.300 1.00 38.76 O ATOM 662 NE2 GLN B 40 3.100 8.128 28.908 1.00 34.76 N ATOM 663 N GLN B 41 5.010 2.422 27.169 1.00 18.59 N ATOM 664 CA GLN B 41 6.344 1.873 26.962 1.00 16.63 C ATOM 665 C GLN B 41 6.296 0.780 25.884 1.00 16.44 C ATOM 666 O GLN B 41 5.459 -0.128 25.926 1.00 17.03 O ATOM 667 CB GLN B 41 6.861 1.288 28.272 1.00 15.78 C ATOM 668 CG GLN B 41 7.216 2.349 29.341 1.00 14.03 C ATOM 669 CD GLN B 41 7.708 1.710 30.597 1.00 17.41 C ATOM 670 OE1 GLN B 41 8.464 0.736 30.554 1.00 14.32 O ATOM 671 NE2 GLN B 41 7.260 2.236 31.749 1.00 16.33 N ATOM 672 N ARG B 42 7.201 0.852 24.926 1.00 16.11 N ATOM 673 CA ARG B 42 7.443 -0.316 24.072 1.00 15.66 C ATOM 674 C ARG B 42 8.908 -0.692 24.229 1.00 15.54 C ATOM 675 O ARG B 42 9.776 0.192 24.132 1.00 14.66 O ATOM 676 CB ARG B 42 7.139 0.019 22.624 1.00 17.32 C ATOM 677 CG ARG B 42 5.684 0.346 22.378 1.00 21.67 C ATOM 678 CD ARG B 42 4.786 -0.854 22.733 1.00 26.53 C ATOM 679 NE ARG B 42 3.425 -0.485 22.379 1.00 33.24 N ATOM 680 CZ ARG B 42 2.576 0.130 23.197 1.00 35.30 C ATOM 681 NH1 ARG B 42 2.911 0.411 24.452 1.00 36.06 N ATOM 682 NH2 ARG B 42 1.381 0.468 22.743 1.00 38.14 N ATOM 683 N LEU B 43 9.175 -1.975 24.485 1.00 14.42 N ATOM 684 CA LEU B 43 10.552 -2.492 24.637 1.00 13.08 C ATOM 685 C LEU B 43 10.942 -3.463 23.511 1.00 14.56 C ATOM 686 O LEU B 43 10.197 -4.406 23.174 1.00 15.26 O ATOM 687 CB LEU B 43 10.703 -3.138 26.018 1.00 13.28 C ATOM 688 CG LEU B 43 10.553 -2.228 27.258 1.00 11.40 C ATOM 689 CD1 LEU B 43 10.383 -3.118 28.538 1.00 11.57 C ATOM 690 CD2 LEU B 43 11.809 -1.326 27.362 1.00 12.18 C ATOM 691 N ILE B 44 12.116 -3.226 22.950 1.00 14.10 N ATOM 692 CA ILE B 44 12.657 -3.927 21.798 1.00 15.53 C ATOM 693 C ILE B 44 13.939 -4.626 22.266 1.00 14.99 C ATOM 694 O ILE B 44 14.827 -3.998 22.850 1.00 14.40 O ATOM 695 CB ILE B 44 13.020 -2.926 20.653 1.00 15.41 C ATOM 696 CG1 ILE B 44 11.792 -2.097 20.236 1.00 17.78 C ATOM 697 CG2 ILE B 44 13.679 -3.612 19.426 1.00 16.49 C ATOM 698 CD1 ILE B 44 10.537 -2.943 19.936 1.00 16.67 C ATOM 699 N PHE B 45 14.049 -5.907 21.977 1.00 14.59 N ATOM 700 CA PHE B 45 15.312 -6.597 22.180 1.00 15.95 C ATOM 701 C PHE B 45 15.434 -7.694 21.147 1.00 15.76 C ATOM 702 O PHE B 45 14.484 -8.479 20.929 1.00 16.96 O ATOM 703 CB PHE B 45 15.438 -7.165 23.609 1.00 16.29 C ATOM 704 CG PHE B 45 16.732 -7.938 23.858 1.00 17.30 C ATOM 705 CD1 PHE B 45 17.930 -7.265 24.073 1.00 16.45 C ATOM 706 CD2 PHE B 45 16.740 -9.343 23.825 1.00 18.21 C ATOM 707 CE1 PHE B 45 19.132 -7.972 24.295 1.00 18.52 C ATOM 708 CE2 PHE B 45 17.926 -10.054 24.048 1.00 21.91 C ATOM 709 CZ PHE B 45 19.125 -9.370 24.266 1.00 19.60 C ATOM 710 N ALA B 46 16.586 -7.716 20.494 1.00 16.30 N ATOM 711 CA ALA B 46 16.955 -8.778 19.550 1.00 17.28 C ATOM 712 C ALA B 46 15.897 -8.954 18.449 1.00 17.99 C ATOM 713 O ALA B 46 15.427 -10.078 18.167 1.00 18.58 O ATOM 714 CB ALA B 46 17.205 -10.078 20.321 1.00 17.19 C ATOM 715 N GLY B 47 15.514 -7.831 17.833 1.00 17.29 N ATOM 716 CA GLY B 47 14.511 -7.808 16.754 1.00 17.86 C ATOM 717 C GLY B 47 13.097 -8.229 17.153 1.00 17.41 C ATOM 718 O GLY B 47 12.301 -8.620 16.297 1.00 18.26 O ATOM 719 N LYS B 48 12.793 -8.177 18.445 1.00 17.51 N ATOM 720 CA LYS B 48 11.472 -8.524 18.963 1.00 18.45 C ATOM 721 C LYS B 48 10.888 -7.429 19.844 1.00 19.17 C ATOM 722 O LYS B 48 11.634 -6.705 20.532 1.00 18.35 O ATOM 723 CB LYS B 48 11.531 -9.830 19.756 1.00 19.20 C ATOM 724 CG LYS B 48 11.712 -11.093 18.899 1.00 20.13 C ATOM 725 CD LYS B 48 12.024 -12.281 19.801 1.00 24.25 C ATOM 726 CE LYS B 48 13.317 -12.025 20.563 1.00 27.33 C ATOM 727 NZ LYS B 48 14.511 -12.343 19.708 1.00 30.69 N ATOM 728 N GLN B 49 9.564 -7.284 19.806 1.00 18.99 N ATOM 729 CA GLN B 49 8.897 -6.375 20.719 1.00 20.14 C ATOM 730 C GLN B 49 8.431 -7.235 21.895 1.00 20.60 C ATOM 731 O GLN B 49 7.759 -8.245 21.713 1.00 21.08 O ATOM 732 CB GLN B 49 7.737 -5.635 20.039 1.00 20.15 C ATOM 733 CG GLN B 49 7.228 -4.434 20.869 1.00 22.50 C ATOM 734 CD GLN B 49 6.088 -3.708 20.192 1.00 22.28 C ATOM 735 OE1 GLN B 49 5.001 -4.284 19.992 1.00 30.17 O ATOM 736 NE2 GLN B 49 6.304 -2.449 19.845 1.00 19.72 N ATOM 737 N LEU B 50 8.815 -6.849 23.101 1.00 19.44 N ATOM 738 CA LEU B 50 8.647 -7.704 24.277 1.00 19.67 C ATOM 739 C LEU B 50 7.212 -7.659 24.809 1.00 20.08 C ATOM 740 O LEU B 50 6.690 -6.594 25.055 1.00 19.17 O ATOM 741 CB LEU B 50 9.649 -7.300 25.367 1.00 17.99 C ATOM 742 CG LEU B 50 11.093 -7.247 24.870 1.00 18.50 C ATOM 743 CD1 LEU B 50 12.069 -6.950 26.045 1.00 17.08 C ATOM 744 CD2 LEU B 50 11.521 -8.499 24.100 1.00 19.32 C ATOM 745 N GLU B 51 6.612 -8.835 25.008 1.00 20.34 N ATOM 746 CA GLU B 51 5.221 -8.965 25.481 1.00 21.72 C ATOM 747 C GLU B 51 5.084 -9.063 27.004 1.00 22.57 C ATOM 748 O GLU B 51 5.860 -9.760 27.658 1.00 22.17 O ATOM 749 CB GLU B 51 4.576 -10.210 24.853 1.00 21.60 C ATOM 750 CG GLU B 51 4.343 -10.091 23.396 1.00 24.66 C ATOM 751 CD GLU B 51 3.899 -11.422 22.782 1.00 30.94 C ATOM 752 OE1 GLU B 51 3.330 -12.273 23.522 1.00 30.67 O ATOM 753 OE2 GLU B 51 4.147 -11.603 21.574 1.00 33.57 O ATOM 754 N ASP B 52 4.046 -8.427 27.551 1.00 23.58 N ATOM 755 CA ASP B 52 3.909 -8.196 29.013 1.00 24.76 C ATOM 756 C ASP B 52 3.977 -9.415 29.917 1.00 24.35 C ATOM 757 O ASP B 52 4.549 -9.329 31.009 1.00 23.01 O ATOM 758 CB ASP B 52 2.578 -7.550 29.334 1.00 26.18 C ATOM 759 CG ASP B 52 2.565 -6.071 29.097 1.00 28.70 C ATOM 760 OD1 ASP B 52 1.466 -5.540 29.270 1.00 33.62 O ATOM 761 OD2 ASP B 52 3.599 -5.438 28.745 1.00 32.48 O ATOM 762 N GLY B 53 3.332 -10.516 29.508 1.00 23.26 N ATOM 763 CA GLY B 53 3.204 -11.677 30.401 1.00 23.37 C ATOM 764 C GLY B 53 4.368 -12.642 30.378 1.00 23.32 C ATOM 765 O GLY B 53 4.415 -13.588 31.188 1.00 24.92 O ATOM 766 N ARG B 54 5.309 -12.414 29.459 1.00 21.54 N ATOM 767 CA ARG B 54 6.501 -13.259 29.294 1.00 19.86 C ATOM 768 C ARG B 54 7.608 -12.678 30.153 1.00 19.28 C ATOM 769 O ARG B 54 7.490 -11.541 30.628 1.00 19.24 O ATOM 770 CB ARG B 54 6.943 -13.275 27.831 1.00 20.00 C ATOM 771 CG ARG B 54 5.771 -13.569 26.903 1.00 23.44 C ATOM 772 CD ARG B 54 6.116 -14.363 25.709 1.00 24.41 C ATOM 773 NE ARG B 54 4.941 -14.451 24.839 1.00 28.73 N ATOM 774 CZ ARG B 54 4.102 -15.480 24.788 1.00 29.09 C ATOM 775 NH1 ARG B 54 3.070 -15.436 23.949 1.00 29.99 N ATOM 776 NH2 ARG B 54 4.283 -16.551 25.561 1.00 29.67 N ATOM 777 N THR B 55 8.657 -13.450 30.369 1.00 17.51 N ATOM 778 CA THR B 55 9.722 -13.024 31.270 1.00 16.43 C ATOM 779 C THR B 55 10.960 -12.647 30.477 1.00 15.25 C ATOM 780 O THR B 55 11.051 -12.931 29.282 1.00 15.23 O ATOM 781 CB THR B 55 10.101 -14.118 32.226 1.00 15.82 C ATOM 782 OG1 THR B 55 10.629 -15.210 31.461 1.00 17.34 O ATOM 783 CG2 THR B 55 8.832 -14.591 33.020 1.00 18.65 C ATOM 784 N LEU B 56 11.920 -12.012 31.146 1.00 14.38 N ATOM 785 CA LEU B 56 13.206 -11.703 30.486 1.00 13.29 C ATOM 786 C LEU B 56 13.842 -12.960 29.914 1.00 13.81 C ATOM 787 O LEU B 56 14.292 -12.961 28.762 1.00 13.68 O ATOM 788 CB LEU B 56 14.146 -11.035 31.477 1.00 12.80 C ATOM 789 CG LEU B 56 13.695 -9.650 31.940 1.00 14.86 C ATOM 790 CD1 LEU B 56 14.649 -9.263 33.090 1.00 13.74 C ATOM 791 CD2 LEU B 56 13.817 -8.641 30.797 1.00 14.17 C ATOM 792 N SER B 57 13.838 -14.043 30.709 1.00 13.54 N ATOM 793 CA SER B 57 14.412 -15.299 30.300 1.00 15.80 C ATOM 794 C SER B 57 13.737 -15.922 29.076 1.00 15.57 C ATOM 795 O SER B 57 14.411 -16.543 28.275 1.00 16.68 O ATOM 796 CB SER B 57 14.465 -16.280 31.481 1.00 16.71 C ATOM 797 OG SER B 57 15.429 -15.800 32.423 1.00 21.58 O ATOM 798 N ASP B 58 12.435 -15.713 28.912 1.00 14.80 N ATOM 799 CA ASP B 58 11.730 -16.232 27.721 1.00 15.95 C ATOM 800 C ASP B 58 12.318 -15.650 26.427 1.00 16.24 C ATOM 801 O ASP B 58 12.256 -16.276 25.365 1.00 15.94 O ATOM 802 CB ASP B 58 10.253 -15.909 27.796 1.00 14.27 C ATOM 803 CG ASP B 58 9.511 -16.729 28.865 1.00 16.32 C ATOM 804 OD1 ASP B 58 8.463 -16.253 29.282 1.00 17.61 O ATOM 805 OD2 ASP B 58 9.965 -17.807 29.300 1.00 16.01 O ATOM 806 N TYR B 59 12.901 -14.454 26.541 1.00 16.79 N ATOM 807 CA TYR B 59 13.594 -13.794 25.419 1.00 17.79 C ATOM 808 C TYR B 59 15.113 -13.944 25.443 1.00 18.93 C ATOM 809 O TYR B 59 15.811 -13.218 24.715 1.00 20.93 O ATOM 810 CB TYR B 59 13.237 -12.316 25.417 1.00 17.79 C ATOM 811 CG TYR B 59 11.780 -12.078 25.121 1.00 16.31 C ATOM 812 CD1 TYR B 59 10.899 -11.678 26.108 1.00 17.56 C ATOM 813 CD2 TYR B 59 11.294 -12.240 23.835 1.00 16.66 C ATOM 814 CE1 TYR B 59 9.551 -11.461 25.821 1.00 16.84 C ATOM 815 CE2 TYR B 59 9.925 -12.056 23.534 1.00 16.51 C ATOM 816 CZ TYR B 59 9.075 -11.659 24.540 1.00 17.97 C ATOM 817 OH TYR B 59 7.755 -11.434 24.231 1.00 18.36 O ATOM 818 N ASN B 60 15.628 -14.868 26.250 1.00 18.82 N ATOM 819 CA ASN B 60 17.072 -15.090 26.398 1.00 19.89 C ATOM 820 C ASN B 60 17.818 -13.767 26.714 1.00 19.88 C ATOM 821 O ASN B 60 18.980 -13.540 26.302 1.00 21.50 O ATOM 822 CB ASN B 60 17.637 -15.829 25.175 1.00 20.49 C ATOM 823 CG ASN B 60 18.622 -16.932 25.548 1.00 25.38 C ATOM 824 OD1 ASN B 60 19.299 -17.489 24.680 1.00 30.47 O ATOM 825 ND2 ASN B 60 18.740 -17.229 26.845 1.00 27.83 N ATOM 826 N ILE B 61 17.130 -12.880 27.428 1.00 18.78 N ATOM 827 CA ILE B 61 17.738 -11.650 27.962 1.00 17.96 C ATOM 828 C ILE B 61 18.584 -12.006 29.198 1.00 18.30 C ATOM 829 O ILE B 61 18.084 -12.504 30.202 1.00 17.90 O ATOM 830 CB ILE B 61 16.674 -10.605 28.274 1.00 17.14 C ATOM 831 CG1 ILE B 61 15.984 -10.131 26.990 1.00 18.25 C ATOM 832 CG2 ILE B 61 17.239 -9.383 29.018 1.00 16.21 C ATOM 833 CD1 ILE B 61 14.724 -9.337 27.289 1.00 16.05 C ATOM 834 N GLN B 62 19.889 -11.782 29.095 1.00 19.14 N ATOM 835 CA GLN B 62 20.822 -12.162 30.141 1.00 19.96 C ATOM 836 C GLN B 62 21.397 -10.917 30.822 1.00 17.75 C ATOM 837 O GLN B 62 21.132 -9.801 30.382 1.00 17.73 O ATOM 838 CB GLN B 62 21.921 -13.074 29.546 1.00 19.98 C ATOM 839 CG GLN B 62 21.415 -14.518 29.228 1.00 24.03 C ATOM 840 CD GLN B 62 22.538 -15.566 29.017 1.00 25.39 C ATOM 841 OE1 GLN B 62 22.495 -16.337 28.058 1.00 34.54 O ATOM 842 NE2 GLN B 62 23.506 -15.627 29.939 1.00 32.07 N ATOM 843 N LYS B 63 22.202 -11.103 31.873 1.00 15.63 N ATOM 844 CA LYS B 63 22.872 -9.981 32.531 1.00 15.57 C ATOM 845 C LYS B 63 23.594 -9.072 31.533 1.00 13.49 C ATOM 846 O LYS B 63 24.193 -9.525 30.526 1.00 13.46 O ATOM 847 CB LYS B 63 23.856 -10.449 33.602 1.00 16.14 C ATOM 848 CG LYS B 63 25.126 -11.111 33.028 1.00 16.50 C ATOM 849 CD LYS B 63 26.123 -11.408 34.201 1.00 20.85 C ATOM 850 CE LYS B 63 27.437 -11.965 33.676 1.00 26.59 C ATOM 851 NZ LYS B 63 28.268 -10.887 33.080 1.00 32.10 N ATOM 852 N GLU B 64 23.483 -7.785 31.793 1.00 13.35 N ATOM 853 CA GLU B 64 24.086 -6.751 30.926 1.00 15.82 C ATOM 854 C GLU B 64 23.525 -6.589 29.497 1.00 14.60 C ATOM 855 O GLU B 64 24.065 -5.838 28.682 1.00 14.49 O ATOM 856 CB GLU B 64 25.632 -6.827 30.970 1.00 15.96 C ATOM 857 CG GLU B 64 26.133 -6.340 32.312 1.00 19.60 C ATOM 858 CD GLU B 64 26.598 -7.418 33.281 1.00 28.16 C ATOM 859 OE1 GLU B 64 27.508 -8.195 32.867 1.00 28.71 O ATOM 860 OE2 GLU B 64 26.137 -7.406 34.481 1.00 27.69 O ATOM 861 N SER B 65 22.390 -7.223 29.214 1.00 14.40 N ATOM 862 CA SER B 65 21.688 -6.990 27.960 1.00 14.09 C ATOM 863 C SER B 65 21.168 -5.562 27.917 1.00 13.97 C ATOM 864 O SER B 65 20.849 -4.984 28.955 1.00 14.11 O ATOM 865 CB SER B 65 20.480 -7.923 27.843 1.00 13.03 C ATOM 866 OG SER B 65 20.911 -9.254 27.634 1.00 15.27 O ATOM 867 N THR B 66 21.066 -5.002 26.715 1.00 14.26 N ATOM 868 CA THR B 66 20.548 -3.634 26.540 1.00 14.61 C ATOM 869 C THR B 66 19.236 -3.721 25.763 1.00 13.88 C ATOM 870 O THR B 66 19.211 -4.200 24.632 1.00 15.09 O ATOM 871 CB THR B 66 21.550 -2.676 25.819 1.00 15.34 C ATOM 872 OG1 THR B 66 22.745 -2.555 26.597 1.00 15.29 O ATOM 873 CG2 THR B 66 20.947 -1.238 25.671 1.00 14.64 C ATOM 874 N LEU B 67 18.163 -3.269 26.383 1.00 14.02 N ATOM 875 CA LEU B 67 16.864 -3.139 25.718 1.00 14.21 C ATOM 876 C LEU B 67 16.722 -1.717 25.176 1.00 14.16 C ATOM 877 O LEU B 67 17.380 -0.791 25.698 1.00 14.09 O ATOM 878 CB LEU B 67 15.728 -3.374 26.712 1.00 13.85 C ATOM 879 CG LEU B 67 15.727 -4.527 27.743 1.00 17.53 C ATOM 880 CD1 LEU B 67 14.289 -4.759 28.356 1.00 13.56 C ATOM 881 CD2 LEU B 67 16.334 -5.800 27.270 1.00 15.62 C ATOM 882 N HIS B 68 15.883 -1.548 24.142 1.00 12.94 N ATOM 883 CA HIS B 68 15.591 -0.219 23.631 1.00 13.32 C ATOM 884 C HIS B 68 14.121 0.156 23.896 1.00 13.58 C ATOM 885 O HIS B 68 13.189 -0.586 23.550 1.00 13.76 O ATOM 886 CB HIS B 68 15.952 -0.066 22.151 1.00 13.62 C ATOM 887 CG HIS B 68 17.430 -0.145 21.896 1.00 15.18 C ATOM 888 ND1 HIS B 68 18.210 0.955 21.584 1.00 19.72 N ATOM 889 CD2 HIS B 68 18.273 -1.189 21.974 1.00 15.21 C ATOM 890 CE1 HIS B 68 19.465 0.573 21.436 1.00 14.46 C ATOM 891 NE2 HIS B 68 19.535 -0.720 21.686 1.00 19.23 N ATOM 892 N LEU B 69 13.945 1.313 24.531 1.00 13.37 N ATOM 893 CA LEU B 69 12.615 1.811 24.876 1.00 12.49 C ATOM 894 C LEU B 69 12.121 2.840 23.873 1.00 14.09 C ATOM 895 O LEU B 69 12.850 3.741 23.481 1.00 13.91 O ATOM 896 CB LEU B 69 12.664 2.463 26.250 1.00 13.05 C ATOM 897 CG LEU B 69 11.387 3.199 26.721 1.00 13.35 C ATOM 898 CD1 LEU B 69 10.205 2.249 26.900 1.00 13.45 C ATOM 899 CD2 LEU B 69 11.687 3.974 28.021 1.00 12.71 C ATOM 900 N VAL B 70 10.865 2.702 23.461 1.00 15.24 N ATOM 901 CA VAL B 70 10.202 3.725 22.644 1.00 16.94 C ATOM 902 C VAL B 70 8.907 4.084 23.338 1.00 18.01 C ATOM 903 O VAL B 70 8.175 3.205 23.805 1.00 17.45 O ATOM 904 CB VAL B 70 9.826 3.219 21.235 1.00 17.09 C ATOM 905 CG1 VAL B 70 9.240 4.348 20.378 1.00 18.23 C ATOM 906 CG2 VAL B 70 11.035 2.657 20.512 1.00 17.63 C ATOM 907 N LEU B 71 8.604 5.371 23.374 1.00 19.59 N ATOM 908 CA LEU B 71 7.394 5.810 24.027 1.00 22.46 C ATOM 909 C LEU B 71 6.250 5.806 23.006 1.00 24.37 C ATOM 910 O LEU B 71 6.475 5.911 21.776 1.00 23.74 O ATOM 911 CB LEU B 71 7.620 7.181 24.664 1.00 23.30 C ATOM 912 CG LEU B 71 8.157 7.264 26.105 1.00 24.51 C ATOM 913 CD1 LEU B 71 8.656 5.938 26.700 1.00 23.98 C ATOM 914 CD2 LEU B 71 9.199 8.358 26.203 1.00 28.65 C ATOM 915 N ARG B 72 5.034 5.575 23.479 1.00 25.38 N ATOM 916 CA ARG B 72 3.918 5.633 22.555 1.00 28.72 C ATOM 917 C ARG B 72 3.404 7.079 22.524 1.00 28.98 C ATOM 918 O ARG B 72 2.548 7.492 23.343 1.00 30.87 O ATOM 919 CB ARG B 72 2.818 4.673 22.954 1.00 29.48 C ATOM 920 CG ARG B 72 2.038 4.176 21.766 1.00 35.17 C ATOM 921 CD ARG B 72 0.501 4.250 21.994 1.00 41.46 C ATOM 922 NE ARG B 72 -0.221 3.505 20.963 1.00 44.48 N ATOM 923 CZ ARG B 72 -1.501 3.137 21.035 1.00 46.24 C ATOM 924 NH1 ARG B 72 -2.031 2.454 20.031 1.00 45.28 N ATOM 925 NH2 ARG B 72 -2.249 3.447 22.095 1.00 45.90 N