USER MOD reduce.3.24.130724 H: found=0, std=0, add=759, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 759 hydrogens (0 hets) 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 Set 1.1: A 47 LYS NZ :NH3+ 158:sc= 1.2 (180deg=0) USER MOD Set 1.2: A 93 ASN : amide:sc= 1.02 K(o=2.2,f=-4.4) USER MOD Set 2.1: A 37 TYR OH : rot 165:sc= 0.0578 USER MOD Set 2.2: A 40 LYS NZ :NH3+ -122:sc= 1.26 (180deg=-0.0334) USER MOD Set 3.1: A 18 ASN : amide:sc= 1.01 K(o=2.2,f=-1) USER MOD Set 3.2: A 22 GLN : amide:sc= 1.16 K(o=2.2,f=-0.19) USER MOD Single : A 1 ALA N :NH3+ 142:sc= 0.0438 (180deg=0) USER MOD Single : A 5 ASN : amide:sc= -0.211 K(o=-0.21,f=-1.4!) USER MOD Single : A 6 THR OG1 : rot 180:sc= -0.0917 USER MOD Single : A 7 LYS NZ :NH3+ -127:sc= 1.22 (180deg=0.565) USER MOD Single : A 8 ASN : amide:sc= 0.38 K(o=0.38,f=-4.4!) USER MOD Single : A 9 ASN : amide:sc= 0.438 X(o=0.44,f=0) USER MOD Single : A 12 SER OG : rot 180:sc= 0.0193 USER MOD Single : A 17 ASN : amide:sc= 0.00829 X(o=0.0083,f=0) USER MOD Single : A 19 TYR OH : rot -54:sc= 1.28 USER MOD Single : A 24 LYS NZ :NH3+ -148:sc= 1.18 (180deg=0.52) USER MOD Single : A 25 SER OG : rot 180:sc= 0.0332 USER MOD Single : A 29 SER OG : rot 95:sc= 1.24 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 SER OG : rot 180:sc= 0.103 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 41 THR OG1 : rot 180:sc= 0.00836 USER MOD Single : A 43 THR OG1 : rot -83:sc= 1.28 USER MOD Single : A 53 MET CE :methyl -158:sc= 0 (180deg=-0.75) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 GLN : amide:sc= -0.0107 X(o=-0.011,f=0) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 LYS NZ :NH3+ -138:sc= -0.193 (180deg=-0.933) USER MOD Single : A 81 LYS NZ :NH3+ 178:sc= 1.21 (180deg=1.07) USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 85 GLN : amide:sc= 0.715 K(o=0.71,f=-5.9!) USER MOD Single : A 88 TYR OH : rot 180:sc= -0.418 USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 HIS : no HE2:sc= 1.05 K(o=1,f=-6!) USER MOD Single : A 102 HIS : no HD1:sc= -0.014 X(o=-0.014,f=-0.11) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 28.786 14.091 -7.914 1.00 0.00 N ATOM 2 CA ALA A 1 27.632 13.176 -8.040 1.00 0.00 C ATOM 3 C ALA A 1 27.271 12.586 -6.687 1.00 0.00 C ATOM 4 O ALA A 1 28.141 12.369 -5.845 1.00 0.00 O ATOM 5 CB ALA A 1 27.935 12.064 -9.032 1.00 0.00 C ATOM 0 H1 ALA A 1 29.404 13.987 -8.744 1.00 0.00 H new ATOM 0 H2 ALA A 1 28.446 15.072 -7.857 1.00 0.00 H new ATOM 0 H3 ALA A 1 29.321 13.859 -7.053 1.00 0.00 H new ATOM 0 HA ALA A 1 26.782 13.749 -8.410 1.00 0.00 H new ATOM 0 HB1 ALA A 1 27.073 11.401 -9.110 1.00 0.00 H new ATOM 0 HB2 ALA A 1 28.150 12.497 -10.009 1.00 0.00 H new ATOM 0 HB3 ALA A 1 28.799 11.496 -8.689 1.00 0.00 H new ATOM 13 N GLU A 2 25.989 12.312 -6.494 1.00 0.00 N ATOM 14 CA GLU A 2 25.516 11.722 -5.251 1.00 0.00 C ATOM 15 C GLU A 2 25.956 10.269 -5.158 1.00 0.00 C ATOM 16 O GLU A 2 25.390 9.390 -5.811 1.00 0.00 O ATOM 17 CB GLU A 2 23.990 11.823 -5.140 1.00 0.00 C ATOM 18 CG GLU A 2 23.270 11.811 -6.479 1.00 0.00 C ATOM 19 CD GLU A 2 23.198 13.184 -7.111 1.00 0.00 C ATOM 20 OE1 GLU A 2 22.532 14.072 -6.543 1.00 0.00 O ATOM 21 OE2 GLU A 2 23.824 13.387 -8.171 1.00 0.00 O ATOM 0 H GLU A 2 25.258 12.489 -7.183 1.00 0.00 H new ATOM 0 HA GLU A 2 25.954 12.278 -4.422 1.00 0.00 H new ATOM 0 HB2 GLU A 2 23.624 10.993 -4.535 1.00 0.00 H new ATOM 0 HB3 GLU A 2 23.735 12.741 -4.610 1.00 0.00 H new ATOM 0 HG2 GLU A 2 23.783 11.129 -7.157 1.00 0.00 H new ATOM 0 HG3 GLU A 2 22.260 11.425 -6.341 1.00 0.00 H new ATOM 28 N PHE A 3 26.997 10.029 -4.379 1.00 0.00 N ATOM 29 CA PHE A 3 27.549 8.695 -4.233 1.00 0.00 C ATOM 30 C PHE A 3 26.859 7.954 -3.100 1.00 0.00 C ATOM 31 O PHE A 3 26.361 6.843 -3.292 1.00 0.00 O ATOM 32 CB PHE A 3 29.057 8.759 -3.976 1.00 0.00 C ATOM 33 CG PHE A 3 29.889 8.695 -5.226 1.00 0.00 C ATOM 34 CD1 PHE A 3 29.299 8.468 -6.462 1.00 0.00 C ATOM 35 CD2 PHE A 3 31.261 8.852 -5.166 1.00 0.00 C ATOM 36 CE1 PHE A 3 30.065 8.403 -7.610 1.00 0.00 C ATOM 37 CE2 PHE A 3 32.033 8.788 -6.310 1.00 0.00 C ATOM 38 CZ PHE A 3 31.434 8.562 -7.533 1.00 0.00 C ATOM 0 H PHE A 3 27.478 10.746 -3.836 1.00 0.00 H new ATOM 0 HA PHE A 3 27.377 8.153 -5.163 1.00 0.00 H new ATOM 0 HB2 PHE A 3 29.287 9.683 -3.445 1.00 0.00 H new ATOM 0 HB3 PHE A 3 29.340 7.936 -3.320 1.00 0.00 H new ATOM 0 HD1 PHE A 3 28.228 8.341 -6.527 1.00 0.00 H new ATOM 0 HD2 PHE A 3 31.736 9.027 -4.212 1.00 0.00 H new ATOM 0 HE1 PHE A 3 29.594 8.228 -8.566 1.00 0.00 H new ATOM 0 HE2 PHE A 3 33.104 8.915 -6.248 1.00 0.00 H new ATOM 0 HZ PHE A 3 32.036 8.510 -8.428 1.00 0.00 H new ATOM 48 N GLY A 4 26.871 8.558 -1.913 1.00 0.00 N ATOM 49 CA GLY A 4 26.289 7.925 -0.743 1.00 0.00 C ATOM 50 C GLY A 4 27.023 6.654 -0.373 1.00 0.00 C ATOM 51 O GLY A 4 28.120 6.702 0.182 1.00 0.00 O ATOM 0 H GLY A 4 27.276 9.479 -1.742 1.00 0.00 H new ATOM 0 HA2 GLY A 4 26.315 8.619 0.097 1.00 0.00 H new ATOM 0 HA3 GLY A 4 25.241 7.697 -0.936 1.00 0.00 H new ATOM 55 N ASN A 5 26.481 5.530 -0.803 1.00 0.00 N ATOM 56 CA ASN A 5 27.144 4.248 -0.645 1.00 0.00 C ATOM 57 C ASN A 5 26.711 3.309 -1.764 1.00 0.00 C ATOM 58 O ASN A 5 26.707 3.704 -2.933 1.00 0.00 O ATOM 59 CB ASN A 5 26.830 3.642 0.725 1.00 0.00 C ATOM 60 CG ASN A 5 28.016 2.896 1.304 1.00 0.00 C ATOM 61 OD1 ASN A 5 29.163 3.298 1.122 1.00 0.00 O ATOM 62 ND2 ASN A 5 27.749 1.806 2.003 1.00 0.00 N ATOM 0 H ASN A 5 25.575 5.479 -1.269 1.00 0.00 H new ATOM 0 HA ASN A 5 28.222 4.395 -0.704 1.00 0.00 H new ATOM 0 HB2 ASN A 5 26.530 4.434 1.411 1.00 0.00 H new ATOM 0 HB3 ASN A 5 25.983 2.962 0.634 1.00 0.00 H new ATOM 0 HD21 ASN A 5 28.510 1.265 2.415 1.00 0.00 H new ATOM 0 HD22 ASN A 5 26.782 1.506 2.131 1.00 0.00 H new ATOM 69 N THR A 6 26.265 2.110 -1.394 1.00 0.00 N ATOM 70 CA THR A 6 25.731 1.132 -2.342 1.00 0.00 C ATOM 71 C THR A 6 26.708 0.846 -3.487 1.00 0.00 C ATOM 72 O THR A 6 27.606 0.008 -3.341 1.00 0.00 O ATOM 73 CB THR A 6 24.366 1.577 -2.912 1.00 0.00 C ATOM 74 OG1 THR A 6 23.840 2.679 -2.158 1.00 0.00 O ATOM 75 CG2 THR A 6 23.370 0.428 -2.890 1.00 0.00 C ATOM 0 H THR A 6 26.263 1.788 -0.426 1.00 0.00 H new ATOM 0 HA THR A 6 25.588 0.209 -1.780 1.00 0.00 H new ATOM 0 HB THR A 6 24.523 1.890 -3.944 1.00 0.00 H new ATOM 0 HG1 THR A 6 22.976 2.949 -2.533 1.00 0.00 H new ATOM 0 HG21 THR A 6 22.416 0.765 -3.296 1.00 0.00 H new ATOM 0 HG22 THR A 6 23.751 -0.395 -3.494 1.00 0.00 H new ATOM 0 HG23 THR A 6 23.228 0.089 -1.864 1.00 0.00 H new ATOM 83 N LYS A 7 26.499 1.517 -4.629 1.00 0.00 N ATOM 84 CA LYS A 7 27.312 1.334 -5.838 1.00 0.00 C ATOM 85 C LYS A 7 26.978 0.013 -6.524 1.00 0.00 C ATOM 86 O LYS A 7 26.468 -0.004 -7.641 1.00 0.00 O ATOM 87 CB LYS A 7 28.810 1.419 -5.526 1.00 0.00 C ATOM 88 CG LYS A 7 29.453 2.718 -5.990 1.00 0.00 C ATOM 89 CD LYS A 7 29.038 3.897 -5.119 1.00 0.00 C ATOM 90 CE LYS A 7 28.243 4.922 -5.910 1.00 0.00 C ATOM 91 NZ LYS A 7 26.824 4.985 -5.473 1.00 0.00 N ATOM 0 H LYS A 7 25.756 2.207 -4.739 1.00 0.00 H new ATOM 0 HA LYS A 7 27.069 2.147 -6.522 1.00 0.00 H new ATOM 0 HB2 LYS A 7 28.956 1.314 -4.451 1.00 0.00 H new ATOM 0 HB3 LYS A 7 29.320 0.580 -6.000 1.00 0.00 H new ATOM 0 HG2 LYS A 7 30.538 2.614 -5.969 1.00 0.00 H new ATOM 0 HG3 LYS A 7 29.172 2.914 -7.025 1.00 0.00 H new ATOM 0 HD2 LYS A 7 28.440 3.539 -4.281 1.00 0.00 H new ATOM 0 HD3 LYS A 7 29.925 4.370 -4.698 1.00 0.00 H new ATOM 0 HE2 LYS A 7 28.702 5.904 -5.794 1.00 0.00 H new ATOM 0 HE3 LYS A 7 28.285 4.673 -6.970 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 26.201 4.869 -6.298 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 26.637 4.224 -4.789 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 26.639 5.906 -5.026 1.00 0.00 H new ATOM 105 N ASN A 8 27.145 -1.078 -5.797 1.00 0.00 N ATOM 106 CA ASN A 8 26.733 -2.385 -6.280 1.00 0.00 C ATOM 107 C ASN A 8 25.294 -2.651 -5.850 1.00 0.00 C ATOM 108 O ASN A 8 24.651 -1.768 -5.273 1.00 0.00 O ATOM 109 CB ASN A 8 27.663 -3.474 -5.739 1.00 0.00 C ATOM 110 CG ASN A 8 28.011 -4.508 -6.793 1.00 0.00 C ATOM 111 OD1 ASN A 8 27.143 -5.240 -7.269 1.00 0.00 O ATOM 112 ND2 ASN A 8 29.278 -4.576 -7.166 1.00 0.00 N ATOM 0 H ASN A 8 27.564 -1.085 -4.867 1.00 0.00 H new ATOM 0 HA ASN A 8 26.792 -2.400 -7.368 1.00 0.00 H new ATOM 0 HB2 ASN A 8 28.579 -3.015 -5.367 1.00 0.00 H new ATOM 0 HB3 ASN A 8 27.187 -3.968 -4.892 1.00 0.00 H new ATOM 0 HD21 ASN A 8 29.566 -5.253 -7.872 1.00 0.00 H new ATOM 0 HD22 ASN A 8 29.967 -3.951 -6.747 1.00 0.00 H new ATOM 119 N ASN A 9 24.800 -3.863 -6.106 1.00 0.00 N ATOM 120 CA ASN A 9 23.441 -4.249 -5.719 1.00 0.00 C ATOM 121 C ASN A 9 22.408 -3.303 -6.333 1.00 0.00 C ATOM 122 O ASN A 9 21.569 -2.732 -5.632 1.00 0.00 O ATOM 123 CB ASN A 9 23.308 -4.265 -4.187 1.00 0.00 C ATOM 124 CG ASN A 9 22.257 -5.243 -3.695 1.00 0.00 C ATOM 125 OD1 ASN A 9 22.580 -6.325 -3.200 1.00 0.00 O ATOM 126 ND2 ASN A 9 20.994 -4.867 -3.812 1.00 0.00 N ATOM 0 H ASN A 9 25.323 -4.598 -6.582 1.00 0.00 H new ATOM 0 HA ASN A 9 23.250 -5.252 -6.099 1.00 0.00 H new ATOM 0 HB2 ASN A 9 24.271 -4.523 -3.747 1.00 0.00 H new ATOM 0 HB3 ASN A 9 23.056 -3.263 -3.839 1.00 0.00 H new ATOM 0 HD21 ASN A 9 20.247 -5.481 -3.487 1.00 0.00 H new ATOM 0 HD22 ASN A 9 20.767 -3.963 -4.227 1.00 0.00 H new ATOM 133 N GLY A 10 22.496 -3.113 -7.644 1.00 0.00 N ATOM 134 CA GLY A 10 21.592 -2.206 -8.325 1.00 0.00 C ATOM 135 C GLY A 10 20.341 -2.902 -8.818 1.00 0.00 C ATOM 136 O GLY A 10 20.288 -3.367 -9.957 1.00 0.00 O ATOM 0 H GLY A 10 23.178 -3.571 -8.248 1.00 0.00 H new ATOM 0 HA2 GLY A 10 21.313 -1.399 -7.648 1.00 0.00 H new ATOM 0 HA3 GLY A 10 22.108 -1.749 -9.170 1.00 0.00 H new ATOM 140 N ALA A 11 19.331 -2.971 -7.963 1.00 0.00 N ATOM 141 CA ALA A 11 18.071 -3.610 -8.318 1.00 0.00 C ATOM 142 C ALA A 11 16.929 -2.602 -8.326 1.00 0.00 C ATOM 143 O ALA A 11 16.614 -1.997 -7.294 1.00 0.00 O ATOM 144 CB ALA A 11 17.766 -4.751 -7.359 1.00 0.00 C ATOM 0 H ALA A 11 19.359 -2.592 -7.017 1.00 0.00 H new ATOM 0 HA ALA A 11 18.170 -4.016 -9.325 1.00 0.00 H new ATOM 0 HB1 ALA A 11 16.821 -5.218 -7.638 1.00 0.00 H new ATOM 0 HB2 ALA A 11 18.565 -5.491 -7.408 1.00 0.00 H new ATOM 0 HB3 ALA A 11 17.693 -4.363 -6.343 1.00 0.00 H new ATOM 150 N SER A 12 16.291 -2.446 -9.477 1.00 0.00 N ATOM 151 CA SER A 12 15.160 -1.540 -9.618 1.00 0.00 C ATOM 152 C SER A 12 13.880 -2.205 -9.116 1.00 0.00 C ATOM 153 O SER A 12 13.016 -2.605 -9.898 1.00 0.00 O ATOM 154 CB SER A 12 15.010 -1.116 -11.080 1.00 0.00 C ATOM 155 OG SER A 12 16.227 -1.304 -11.790 1.00 0.00 O ATOM 0 H SER A 12 16.540 -2.940 -10.334 1.00 0.00 H new ATOM 0 HA SER A 12 15.342 -0.651 -9.014 1.00 0.00 H new ATOM 0 HB2 SER A 12 14.216 -1.695 -11.551 1.00 0.00 H new ATOM 0 HB3 SER A 12 14.713 -0.068 -11.130 1.00 0.00 H new ATOM 0 HG SER A 12 16.108 -1.028 -12.723 1.00 0.00 H new ATOM 161 N GLY A 13 13.792 -2.360 -7.807 1.00 0.00 N ATOM 162 CA GLY A 13 12.652 -3.019 -7.211 1.00 0.00 C ATOM 163 C GLY A 13 12.883 -3.308 -5.748 1.00 0.00 C ATOM 164 O GLY A 13 11.932 -3.438 -4.976 1.00 0.00 O ATOM 0 H GLY A 13 14.495 -2.039 -7.142 1.00 0.00 H new ATOM 0 HA2 GLY A 13 11.768 -2.392 -7.324 1.00 0.00 H new ATOM 0 HA3 GLY A 13 12.451 -3.951 -7.740 1.00 0.00 H new ATOM 168 N ALA A 14 14.155 -3.382 -5.367 1.00 0.00 N ATOM 169 CA ALA A 14 14.537 -3.630 -3.981 1.00 0.00 C ATOM 170 C ALA A 14 13.897 -2.605 -3.051 1.00 0.00 C ATOM 171 O ALA A 14 13.873 -1.412 -3.361 1.00 0.00 O ATOM 172 CB ALA A 14 16.053 -3.604 -3.838 1.00 0.00 C ATOM 0 H ALA A 14 14.944 -3.273 -6.004 1.00 0.00 H new ATOM 0 HA ALA A 14 14.176 -4.619 -3.698 1.00 0.00 H new ATOM 0 HB1 ALA A 14 16.324 -3.790 -2.799 1.00 0.00 H new ATOM 0 HB2 ALA A 14 16.491 -4.375 -4.471 1.00 0.00 H new ATOM 0 HB3 ALA A 14 16.430 -2.628 -4.142 1.00 0.00 H new ATOM 178 N ASP A 15 13.346 -3.097 -1.941 1.00 0.00 N ATOM 179 CA ASP A 15 12.647 -2.275 -0.942 1.00 0.00 C ATOM 180 C ASP A 15 11.287 -1.798 -1.445 1.00 0.00 C ATOM 181 O ASP A 15 10.285 -1.922 -0.744 1.00 0.00 O ATOM 182 CB ASP A 15 13.490 -1.078 -0.493 1.00 0.00 C ATOM 183 CG ASP A 15 13.410 -0.863 1.003 1.00 0.00 C ATOM 184 OD1 ASP A 15 13.469 -1.867 1.751 1.00 0.00 O ATOM 185 OD2 ASP A 15 13.304 0.302 1.436 1.00 0.00 O ATOM 0 H ASP A 15 13.371 -4.089 -1.704 1.00 0.00 H new ATOM 0 HA ASP A 15 12.484 -2.920 -0.079 1.00 0.00 H new ATOM 0 HB2 ASP A 15 14.529 -1.236 -0.782 1.00 0.00 H new ATOM 0 HB3 ASP A 15 13.149 -0.180 -1.008 1.00 0.00 H new ATOM 190 N ILE A 16 11.252 -1.266 -2.663 1.00 0.00 N ATOM 191 CA ILE A 16 10.011 -0.784 -3.265 1.00 0.00 C ATOM 192 C ILE A 16 8.986 -1.910 -3.380 1.00 0.00 C ATOM 193 O ILE A 16 7.824 -1.747 -3.005 1.00 0.00 O ATOM 194 CB ILE A 16 10.256 -0.174 -4.661 1.00 0.00 C ATOM 195 CG1 ILE A 16 11.480 0.745 -4.636 1.00 0.00 C ATOM 196 CG2 ILE A 16 9.025 0.591 -5.130 1.00 0.00 C ATOM 197 CD1 ILE A 16 12.169 0.878 -5.976 1.00 0.00 C ATOM 0 H ILE A 16 12.074 -1.157 -3.257 1.00 0.00 H new ATOM 0 HA ILE A 16 9.621 -0.007 -2.608 1.00 0.00 H new ATOM 0 HB ILE A 16 10.448 -0.985 -5.364 1.00 0.00 H new ATOM 0 HG12 ILE A 16 11.174 1.734 -4.295 1.00 0.00 H new ATOM 0 HG13 ILE A 16 12.195 0.364 -3.906 1.00 0.00 H new ATOM 0 HG21 ILE A 16 9.214 1.015 -6.116 1.00 0.00 H new ATOM 0 HG22 ILE A 16 8.174 -0.088 -5.184 1.00 0.00 H new ATOM 0 HG23 ILE A 16 8.805 1.394 -4.426 1.00 0.00 H new ATOM 0 HD11 ILE A 16 13.026 1.544 -5.880 1.00 0.00 H new ATOM 0 HD12 ILE A 16 12.507 -0.103 -6.310 1.00 0.00 H new ATOM 0 HD13 ILE A 16 11.471 1.289 -6.705 1.00 0.00 H new ATOM 209 N ASN A 17 9.439 -3.064 -3.858 1.00 0.00 N ATOM 210 CA ASN A 17 8.583 -4.242 -3.983 1.00 0.00 C ATOM 211 C ASN A 17 8.071 -4.682 -2.617 1.00 0.00 C ATOM 212 O ASN A 17 6.927 -5.115 -2.479 1.00 0.00 O ATOM 213 CB ASN A 17 9.355 -5.395 -4.626 1.00 0.00 C ATOM 214 CG ASN A 17 8.498 -6.252 -5.540 1.00 0.00 C ATOM 215 OD1 ASN A 17 8.804 -6.407 -6.722 1.00 0.00 O ATOM 216 ND2 ASN A 17 7.433 -6.829 -5.003 1.00 0.00 N ATOM 0 H ASN A 17 10.400 -3.211 -4.167 1.00 0.00 H new ATOM 0 HA ASN A 17 7.735 -3.976 -4.614 1.00 0.00 H new ATOM 0 HB2 ASN A 17 10.191 -4.990 -5.196 1.00 0.00 H new ATOM 0 HB3 ASN A 17 9.778 -6.023 -3.842 1.00 0.00 H new ATOM 0 HD21 ASN A 17 6.834 -7.426 -5.574 1.00 0.00 H new ATOM 0 HD22 ASN A 17 7.212 -6.676 -4.019 1.00 0.00 H new ATOM 223 N ASN A 18 8.929 -4.566 -1.615 1.00 0.00 N ATOM 224 CA ASN A 18 8.577 -4.951 -0.255 1.00 0.00 C ATOM 225 C ASN A 18 7.562 -3.979 0.336 1.00 0.00 C ATOM 226 O ASN A 18 6.559 -4.394 0.907 1.00 0.00 O ATOM 227 CB ASN A 18 9.827 -4.997 0.623 1.00 0.00 C ATOM 228 CG ASN A 18 9.751 -6.081 1.676 1.00 0.00 C ATOM 229 OD1 ASN A 18 9.104 -5.921 2.709 1.00 0.00 O ATOM 230 ND2 ASN A 18 10.412 -7.195 1.420 1.00 0.00 N ATOM 0 H ASN A 18 9.878 -4.207 -1.718 1.00 0.00 H new ATOM 0 HA ASN A 18 8.128 -5.944 -0.287 1.00 0.00 H new ATOM 0 HB2 ASN A 18 10.703 -5.164 -0.004 1.00 0.00 H new ATOM 0 HB3 ASN A 18 9.963 -4.031 1.109 1.00 0.00 H new ATOM 0 HD21 ASN A 18 10.397 -7.962 2.092 1.00 0.00 H new ATOM 0 HD22 ASN A 18 10.937 -7.288 0.551 1.00 0.00 H new ATOM 237 N TYR A 19 7.831 -2.688 0.182 1.00 0.00 N ATOM 238 CA TYR A 19 6.946 -1.640 0.684 1.00 0.00 C ATOM 239 C TYR A 19 5.552 -1.768 0.082 1.00 0.00 C ATOM 240 O TYR A 19 4.553 -1.748 0.799 1.00 0.00 O ATOM 241 CB TYR A 19 7.530 -0.269 0.344 1.00 0.00 C ATOM 242 CG TYR A 19 7.157 0.825 1.318 1.00 0.00 C ATOM 243 CD1 TYR A 19 7.810 0.950 2.535 1.00 0.00 C ATOM 244 CD2 TYR A 19 6.158 1.740 1.011 1.00 0.00 C ATOM 245 CE1 TYR A 19 7.480 1.957 3.422 1.00 0.00 C ATOM 246 CE2 TYR A 19 5.820 2.749 1.892 1.00 0.00 C ATOM 247 CZ TYR A 19 6.484 2.854 3.095 1.00 0.00 C ATOM 248 OH TYR A 19 6.152 3.860 3.974 1.00 0.00 O ATOM 0 H TYR A 19 8.664 -2.338 -0.292 1.00 0.00 H new ATOM 0 HA TYR A 19 6.864 -1.747 1.766 1.00 0.00 H new ATOM 0 HB2 TYR A 19 8.616 -0.349 0.305 1.00 0.00 H new ATOM 0 HB3 TYR A 19 7.195 0.018 -0.653 1.00 0.00 H new ATOM 0 HD1 TYR A 19 8.589 0.249 2.794 1.00 0.00 H new ATOM 0 HD2 TYR A 19 5.637 1.661 0.068 1.00 0.00 H new ATOM 0 HE1 TYR A 19 7.999 2.041 4.366 1.00 0.00 H new ATOM 0 HE2 TYR A 19 5.040 3.452 1.639 1.00 0.00 H new ATOM 0 HH TYR A 19 5.941 3.473 4.849 1.00 0.00 H new ATOM 258 N ALA A 20 5.496 -1.909 -1.238 1.00 0.00 N ATOM 259 CA ALA A 20 4.227 -2.046 -1.941 1.00 0.00 C ATOM 260 C ALA A 20 3.495 -3.317 -1.519 1.00 0.00 C ATOM 261 O ALA A 20 2.263 -3.345 -1.456 1.00 0.00 O ATOM 262 CB ALA A 20 4.453 -2.045 -3.443 1.00 0.00 C ATOM 0 H ALA A 20 6.317 -1.931 -1.843 1.00 0.00 H new ATOM 0 HA ALA A 20 3.603 -1.193 -1.675 1.00 0.00 H new ATOM 0 HB1 ALA A 20 3.496 -2.148 -3.955 1.00 0.00 H new ATOM 0 HB2 ALA A 20 4.924 -1.108 -3.739 1.00 0.00 H new ATOM 0 HB3 ALA A 20 5.101 -2.878 -3.714 1.00 0.00 H new ATOM 268 N GLY A 21 4.259 -4.362 -1.232 1.00 0.00 N ATOM 269 CA GLY A 21 3.675 -5.621 -0.812 1.00 0.00 C ATOM 270 C GLY A 21 3.172 -5.570 0.617 1.00 0.00 C ATOM 271 O GLY A 21 2.057 -6.003 0.904 1.00 0.00 O ATOM 0 H GLY A 21 5.278 -4.360 -1.283 1.00 0.00 H new ATOM 0 HA2 GLY A 21 2.850 -5.877 -1.477 1.00 0.00 H new ATOM 0 HA3 GLY A 21 4.418 -6.413 -0.906 1.00 0.00 H new ATOM 275 N GLN A 22 4.023 -5.082 1.516 1.00 0.00 N ATOM 276 CA GLN A 22 3.715 -5.021 2.945 1.00 0.00 C ATOM 277 C GLN A 22 2.437 -4.234 3.212 1.00 0.00 C ATOM 278 O GLN A 22 1.634 -4.616 4.063 1.00 0.00 O ATOM 279 CB GLN A 22 4.879 -4.388 3.715 1.00 0.00 C ATOM 280 CG GLN A 22 5.992 -5.367 4.051 1.00 0.00 C ATOM 281 CD GLN A 22 6.836 -4.911 5.225 1.00 0.00 C ATOM 282 OE1 GLN A 22 6.323 -4.663 6.316 1.00 0.00 O ATOM 283 NE2 GLN A 22 8.138 -4.799 5.015 1.00 0.00 N ATOM 0 H GLN A 22 4.945 -4.718 1.276 1.00 0.00 H new ATOM 0 HA GLN A 22 3.563 -6.044 3.290 1.00 0.00 H new ATOM 0 HB2 GLN A 22 5.292 -3.570 3.124 1.00 0.00 H new ATOM 0 HB3 GLN A 22 4.498 -3.953 4.639 1.00 0.00 H new ATOM 0 HG2 GLN A 22 5.558 -6.341 4.277 1.00 0.00 H new ATOM 0 HG3 GLN A 22 6.631 -5.498 3.178 1.00 0.00 H new ATOM 0 HE21 GLN A 22 8.527 -5.013 4.097 1.00 0.00 H new ATOM 0 HE22 GLN A 22 8.753 -4.498 5.771 1.00 0.00 H new ATOM 292 N ILE A 23 2.248 -3.146 2.469 1.00 0.00 N ATOM 293 CA ILE A 23 1.054 -2.318 2.614 1.00 0.00 C ATOM 294 C ILE A 23 -0.208 -3.148 2.380 1.00 0.00 C ATOM 295 O ILE A 23 -1.178 -3.055 3.135 1.00 0.00 O ATOM 296 CB ILE A 23 1.072 -1.117 1.637 1.00 0.00 C ATOM 297 CG1 ILE A 23 2.147 -0.113 2.056 1.00 0.00 C ATOM 298 CG2 ILE A 23 -0.291 -0.435 1.581 1.00 0.00 C ATOM 299 CD1 ILE A 23 2.485 0.898 0.982 1.00 0.00 C ATOM 0 H ILE A 23 2.905 -2.818 1.762 1.00 0.00 H new ATOM 0 HA ILE A 23 1.050 -1.932 3.633 1.00 0.00 H new ATOM 0 HB ILE A 23 1.304 -1.493 0.641 1.00 0.00 H new ATOM 0 HG12 ILE A 23 1.810 0.416 2.948 1.00 0.00 H new ATOM 0 HG13 ILE A 23 3.052 -0.656 2.330 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -0.249 0.405 0.887 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -1.041 -1.149 1.242 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -0.558 -0.073 2.574 1.00 0.00 H new ATOM 0 HD11 ILE A 23 3.254 1.577 1.350 1.00 0.00 H new ATOM 0 HD12 ILE A 23 2.853 0.379 0.097 1.00 0.00 H new ATOM 0 HD13 ILE A 23 1.592 1.467 0.724 1.00 0.00 H new ATOM 311 N LYS A 24 -0.166 -3.977 1.342 1.00 0.00 N ATOM 312 CA LYS A 24 -1.283 -4.850 1.003 1.00 0.00 C ATOM 313 C LYS A 24 -1.519 -5.884 2.100 1.00 0.00 C ATOM 314 O LYS A 24 -2.645 -6.072 2.549 1.00 0.00 O ATOM 315 CB LYS A 24 -1.026 -5.546 -0.337 1.00 0.00 C ATOM 316 CG LYS A 24 -0.907 -4.585 -1.508 1.00 0.00 C ATOM 317 CD LYS A 24 -0.313 -5.267 -2.727 1.00 0.00 C ATOM 318 CE LYS A 24 -0.251 -4.322 -3.915 1.00 0.00 C ATOM 319 NZ LYS A 24 1.061 -3.628 -4.008 1.00 0.00 N ATOM 0 H LYS A 24 0.636 -4.062 0.717 1.00 0.00 H new ATOM 0 HA LYS A 24 -2.180 -4.237 0.915 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -0.109 -6.131 -0.263 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -1.837 -6.247 -0.534 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -1.891 -4.187 -1.755 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -0.283 -3.738 -1.223 1.00 0.00 H new ATOM 0 HD2 LYS A 24 0.689 -5.626 -2.493 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -0.912 -6.140 -2.985 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -0.431 -4.882 -4.833 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -1.047 -3.582 -3.832 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 0.924 -2.680 -4.413 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 1.476 -3.542 -3.058 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 1.701 -4.176 -4.618 1.00 0.00 H new ATOM 333 N SER A 25 -0.447 -6.533 2.542 1.00 0.00 N ATOM 334 CA SER A 25 -0.537 -7.532 3.601 1.00 0.00 C ATOM 335 C SER A 25 -1.124 -6.938 4.878 1.00 0.00 C ATOM 336 O SER A 25 -1.933 -7.576 5.557 1.00 0.00 O ATOM 337 CB SER A 25 0.841 -8.121 3.883 1.00 0.00 C ATOM 338 OG SER A 25 1.607 -8.215 2.695 1.00 0.00 O ATOM 0 H SER A 25 0.496 -6.385 2.183 1.00 0.00 H new ATOM 0 HA SER A 25 -1.205 -8.323 3.261 1.00 0.00 H new ATOM 0 HB2 SER A 25 1.364 -7.499 4.609 1.00 0.00 H new ATOM 0 HB3 SER A 25 0.733 -9.110 4.329 1.00 0.00 H new ATOM 0 HG SER A 25 2.487 -8.594 2.902 1.00 0.00 H new ATOM 344 N ALA A 26 -0.736 -5.708 5.189 1.00 0.00 N ATOM 345 CA ALA A 26 -1.244 -5.017 6.366 1.00 0.00 C ATOM 346 C ALA A 26 -2.729 -4.725 6.218 1.00 0.00 C ATOM 347 O ALA A 26 -3.515 -4.940 7.144 1.00 0.00 O ATOM 348 CB ALA A 26 -0.482 -3.720 6.586 1.00 0.00 C ATOM 0 H ALA A 26 -0.068 -5.167 4.640 1.00 0.00 H new ATOM 0 HA ALA A 26 -1.100 -5.665 7.230 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -0.872 -3.214 7.469 1.00 0.00 H new ATOM 0 HB2 ALA A 26 0.576 -3.940 6.731 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -0.602 -3.075 5.715 1.00 0.00 H new ATOM 354 N ILE A 27 -3.094 -4.208 5.055 1.00 0.00 N ATOM 355 CA ILE A 27 -4.468 -3.839 4.762 1.00 0.00 C ATOM 356 C ILE A 27 -5.387 -5.057 4.791 1.00 0.00 C ATOM 357 O ILE A 27 -6.456 -5.024 5.404 1.00 0.00 O ATOM 358 CB ILE A 27 -4.557 -3.142 3.383 1.00 0.00 C ATOM 359 CG1 ILE A 27 -4.100 -1.683 3.522 1.00 0.00 C ATOM 360 CG2 ILE A 27 -5.965 -3.240 2.797 1.00 0.00 C ATOM 361 CD1 ILE A 27 -4.678 -0.740 2.485 1.00 0.00 C ATOM 0 H ILE A 27 -2.445 -4.033 4.288 1.00 0.00 H new ATOM 0 HA ILE A 27 -4.798 -3.145 5.535 1.00 0.00 H new ATOM 0 HB ILE A 27 -3.895 -3.652 2.683 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -4.373 -1.323 4.514 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -3.012 -1.649 3.459 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -5.992 -2.740 1.829 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -6.235 -4.289 2.672 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -6.674 -2.761 3.472 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -4.301 0.268 2.660 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -4.383 -1.070 1.489 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -5.765 -0.739 2.560 1.00 0.00 H new ATOM 373 N GLU A 28 -4.992 -6.106 4.080 1.00 0.00 N ATOM 374 CA GLU A 28 -5.808 -7.307 3.962 1.00 0.00 C ATOM 375 C GLU A 28 -5.994 -8.007 5.305 1.00 0.00 C ATOM 376 O GLU A 28 -6.966 -8.732 5.497 1.00 0.00 O ATOM 377 CB GLU A 28 -5.207 -8.269 2.939 1.00 0.00 C ATOM 378 CG GLU A 28 -6.106 -8.488 1.735 1.00 0.00 C ATOM 379 CD GLU A 28 -5.592 -7.813 0.478 1.00 0.00 C ATOM 380 OE1 GLU A 28 -4.384 -7.500 0.411 1.00 0.00 O ATOM 381 OE2 GLU A 28 -6.393 -7.628 -0.461 1.00 0.00 O ATOM 0 H GLU A 28 -4.107 -6.149 3.574 1.00 0.00 H new ATOM 0 HA GLU A 28 -6.793 -6.994 3.617 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -4.246 -7.880 2.603 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -5.012 -9.228 3.420 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -6.203 -9.558 1.552 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -7.104 -8.111 1.961 1.00 0.00 H new ATOM 388 N SER A 29 -5.106 -7.732 6.255 1.00 0.00 N ATOM 389 CA SER A 29 -5.232 -8.293 7.600 1.00 0.00 C ATOM 390 C SER A 29 -6.457 -7.719 8.324 1.00 0.00 C ATOM 391 O SER A 29 -6.872 -8.232 9.363 1.00 0.00 O ATOM 392 CB SER A 29 -3.967 -8.018 8.415 1.00 0.00 C ATOM 393 OG SER A 29 -2.828 -8.614 7.811 1.00 0.00 O ATOM 0 H SER A 29 -4.295 -7.128 6.122 1.00 0.00 H new ATOM 0 HA SER A 29 -5.364 -9.371 7.502 1.00 0.00 H new ATOM 0 HB2 SER A 29 -3.814 -6.942 8.503 1.00 0.00 H new ATOM 0 HB3 SER A 29 -4.091 -8.406 9.426 1.00 0.00 H new ATOM 0 HG SER A 29 -2.379 -7.956 7.240 1.00 0.00 H new ATOM 399 N LYS A 30 -7.040 -6.669 7.752 1.00 0.00 N ATOM 400 CA LYS A 30 -8.229 -6.043 8.318 1.00 0.00 C ATOM 401 C LYS A 30 -9.423 -6.253 7.392 1.00 0.00 C ATOM 402 O LYS A 30 -10.487 -5.658 7.575 1.00 0.00 O ATOM 403 CB LYS A 30 -7.983 -4.545 8.533 1.00 0.00 C ATOM 404 CG LYS A 30 -7.332 -4.215 9.867 1.00 0.00 C ATOM 405 CD LYS A 30 -5.815 -4.222 9.768 1.00 0.00 C ATOM 406 CE LYS A 30 -5.171 -3.844 11.090 1.00 0.00 C ATOM 407 NZ LYS A 30 -4.773 -5.036 11.881 1.00 0.00 N ATOM 0 H LYS A 30 -6.706 -6.233 6.893 1.00 0.00 H new ATOM 0 HA LYS A 30 -8.447 -6.505 9.281 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -7.350 -4.171 7.728 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -8.934 -4.016 8.463 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -7.670 -3.235 10.205 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -7.651 -4.939 10.617 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -5.473 -5.212 9.465 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -5.496 -3.524 8.994 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -4.293 -3.226 10.901 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -5.867 -3.240 11.672 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -4.338 -4.730 12.775 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -5.613 -5.614 12.085 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -4.088 -5.600 11.338 1.00 0.00 H new ATOM 421 N PHE A 31 -9.233 -7.102 6.393 1.00 0.00 N ATOM 422 CA PHE A 31 -10.273 -7.396 5.421 1.00 0.00 C ATOM 423 C PHE A 31 -10.733 -8.840 5.554 1.00 0.00 C ATOM 424 O PHE A 31 -9.924 -9.735 5.796 1.00 0.00 O ATOM 425 CB PHE A 31 -9.753 -7.163 4.004 1.00 0.00 C ATOM 426 CG PHE A 31 -9.932 -5.758 3.499 1.00 0.00 C ATOM 427 CD1 PHE A 31 -10.698 -4.841 4.201 1.00 0.00 C ATOM 428 CD2 PHE A 31 -9.341 -5.362 2.311 1.00 0.00 C ATOM 429 CE1 PHE A 31 -10.868 -3.557 3.727 1.00 0.00 C ATOM 430 CE2 PHE A 31 -9.508 -4.080 1.832 1.00 0.00 C ATOM 431 CZ PHE A 31 -10.274 -3.175 2.539 1.00 0.00 C ATOM 0 H PHE A 31 -8.359 -7.603 6.235 1.00 0.00 H new ATOM 0 HA PHE A 31 -11.115 -6.732 5.613 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -8.693 -7.415 3.973 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -10.263 -7.847 3.326 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -11.167 -5.135 5.129 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -8.742 -6.066 1.753 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -11.465 -2.850 4.284 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -9.040 -3.784 0.905 1.00 0.00 H new ATOM 0 HZ PHE A 31 -10.409 -2.171 2.165 1.00 0.00 H new ATOM 441 N TYR A 32 -12.017 -9.076 5.338 1.00 0.00 N ATOM 442 CA TYR A 32 -12.552 -10.426 5.377 1.00 0.00 C ATOM 443 C TYR A 32 -13.068 -10.829 4.005 1.00 0.00 C ATOM 444 O TYR A 32 -12.414 -11.573 3.275 1.00 0.00 O ATOM 445 CB TYR A 32 -13.674 -10.531 6.407 1.00 0.00 C ATOM 446 CG TYR A 32 -13.183 -10.818 7.805 1.00 0.00 C ATOM 447 CD1 TYR A 32 -12.747 -9.790 8.630 1.00 0.00 C ATOM 448 CD2 TYR A 32 -13.146 -12.114 8.298 1.00 0.00 C ATOM 449 CE1 TYR A 32 -12.290 -10.045 9.907 1.00 0.00 C ATOM 450 CE2 TYR A 32 -12.692 -12.378 9.573 1.00 0.00 C ATOM 451 CZ TYR A 32 -12.266 -11.340 10.373 1.00 0.00 C ATOM 452 OH TYR A 32 -11.812 -11.600 11.647 1.00 0.00 O ATOM 0 H TYR A 32 -12.706 -8.352 5.134 1.00 0.00 H new ATOM 0 HA TYR A 32 -11.749 -11.103 5.667 1.00 0.00 H new ATOM 0 HB2 TYR A 32 -14.239 -9.599 6.413 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -14.363 -11.319 6.103 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -12.766 -8.773 8.266 1.00 0.00 H new ATOM 0 HD2 TYR A 32 -13.478 -12.930 7.673 1.00 0.00 H new ATOM 0 HE1 TYR A 32 -11.954 -9.234 10.536 1.00 0.00 H new ATOM 0 HE2 TYR A 32 -12.670 -13.393 9.943 1.00 0.00 H new ATOM 0 HH TYR A 32 -11.861 -12.563 11.821 1.00 0.00 H new ATOM 462 N ASP A 33 -14.229 -10.304 3.645 1.00 0.00 N ATOM 463 CA ASP A 33 -14.821 -10.581 2.343 1.00 0.00 C ATOM 464 C ASP A 33 -14.483 -9.483 1.366 1.00 0.00 C ATOM 465 O ASP A 33 -14.800 -9.550 0.181 1.00 0.00 O ATOM 466 CB ASP A 33 -16.337 -10.737 2.458 1.00 0.00 C ATOM 467 CG ASP A 33 -17.017 -9.434 2.832 1.00 0.00 C ATOM 468 OD1 ASP A 33 -16.568 -8.779 3.800 1.00 0.00 O ATOM 469 OD2 ASP A 33 -18.003 -9.060 2.169 1.00 0.00 O ATOM 0 H ASP A 33 -14.781 -9.683 4.236 1.00 0.00 H new ATOM 0 HA ASP A 33 -14.406 -11.519 1.974 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -16.737 -11.095 1.510 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -16.567 -11.494 3.208 1.00 0.00 H new ATOM 474 N ALA A 34 -13.741 -8.536 1.868 1.00 0.00 N ATOM 475 CA ALA A 34 -13.217 -7.443 1.062 1.00 0.00 C ATOM 476 C ALA A 34 -12.018 -7.911 0.255 1.00 0.00 C ATOM 477 O ALA A 34 -11.849 -7.538 -0.903 1.00 0.00 O ATOM 478 CB ALA A 34 -12.840 -6.266 1.941 1.00 0.00 C ATOM 0 H ALA A 34 -13.475 -8.491 2.852 1.00 0.00 H new ATOM 0 HA ALA A 34 -13.995 -7.118 0.371 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -12.450 -5.459 1.321 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -13.721 -5.917 2.479 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -12.077 -6.575 2.656 1.00 0.00 H new ATOM 484 N SER A 35 -11.223 -8.788 0.856 1.00 0.00 N ATOM 485 CA SER A 35 -10.080 -9.373 0.179 1.00 0.00 C ATOM 486 C SER A 35 -10.553 -10.438 -0.808 1.00 0.00 C ATOM 487 O SER A 35 -9.853 -10.787 -1.752 1.00 0.00 O ATOM 488 CB SER A 35 -9.136 -9.983 1.210 1.00 0.00 C ATOM 489 OG SER A 35 -9.792 -10.132 2.463 1.00 0.00 O ATOM 0 H SER A 35 -11.353 -9.109 1.816 1.00 0.00 H new ATOM 0 HA SER A 35 -9.547 -8.599 -0.374 1.00 0.00 H new ATOM 0 HB2 SER A 35 -8.784 -10.953 0.860 1.00 0.00 H new ATOM 0 HB3 SER A 35 -8.257 -9.349 1.327 1.00 0.00 H new ATOM 0 HG SER A 35 -9.172 -10.526 3.112 1.00 0.00 H new ATOM 495 N SER A 36 -11.781 -10.891 -0.614 1.00 0.00 N ATOM 496 CA SER A 36 -12.403 -11.849 -1.511 1.00 0.00 C ATOM 497 C SER A 36 -13.304 -11.130 -2.513 1.00 0.00 C ATOM 498 O SER A 36 -14.450 -11.519 -2.741 1.00 0.00 O ATOM 499 CB SER A 36 -13.201 -12.869 -0.698 1.00 0.00 C ATOM 500 OG SER A 36 -12.336 -13.668 0.095 1.00 0.00 O ATOM 0 H SER A 36 -12.372 -10.606 0.167 1.00 0.00 H new ATOM 0 HA SER A 36 -11.628 -12.374 -2.070 1.00 0.00 H new ATOM 0 HB2 SER A 36 -13.915 -12.352 -0.057 1.00 0.00 H new ATOM 0 HB3 SER A 36 -13.778 -13.505 -1.369 1.00 0.00 H new ATOM 0 HG SER A 36 -12.866 -14.313 0.609 1.00 0.00 H new ATOM 506 N TYR A 37 -12.780 -10.051 -3.077 1.00 0.00 N ATOM 507 CA TYR A 37 -13.522 -9.228 -4.022 1.00 0.00 C ATOM 508 C TYR A 37 -12.635 -8.874 -5.213 1.00 0.00 C ATOM 509 O TYR A 37 -12.628 -7.734 -5.680 1.00 0.00 O ATOM 510 CB TYR A 37 -14.005 -7.949 -3.329 1.00 0.00 C ATOM 511 CG TYR A 37 -15.394 -7.501 -3.731 1.00 0.00 C ATOM 512 CD1 TYR A 37 -16.368 -8.420 -4.103 1.00 0.00 C ATOM 513 CD2 TYR A 37 -15.729 -6.153 -3.731 1.00 0.00 C ATOM 514 CE1 TYR A 37 -17.635 -8.005 -4.464 1.00 0.00 C ATOM 515 CE2 TYR A 37 -16.994 -5.733 -4.089 1.00 0.00 C ATOM 516 CZ TYR A 37 -17.943 -6.661 -4.455 1.00 0.00 C ATOM 517 OH TYR A 37 -19.206 -6.243 -4.812 1.00 0.00 O ATOM 0 H TYR A 37 -11.832 -9.722 -2.893 1.00 0.00 H new ATOM 0 HA TYR A 37 -14.387 -9.787 -4.380 1.00 0.00 H new ATOM 0 HB2 TYR A 37 -13.986 -8.106 -2.251 1.00 0.00 H new ATOM 0 HB3 TYR A 37 -13.301 -7.146 -3.546 1.00 0.00 H new ATOM 0 HD1 TYR A 37 -16.131 -9.474 -4.110 1.00 0.00 H new ATOM 0 HD2 TYR A 37 -14.987 -5.421 -3.446 1.00 0.00 H new ATOM 0 HE1 TYR A 37 -18.381 -8.730 -4.752 1.00 0.00 H new ATOM 0 HE2 TYR A 37 -17.238 -4.681 -4.082 1.00 0.00 H new ATOM 0 HH TYR A 37 -19.336 -5.314 -4.528 1.00 0.00 H new ATOM 527 N ALA A 38 -11.810 -9.836 -5.625 1.00 0.00 N ATOM 528 CA ALA A 38 -10.811 -9.615 -6.674 1.00 0.00 C ATOM 529 C ALA A 38 -11.438 -9.242 -8.013 1.00 0.00 C ATOM 530 O ALA A 38 -10.750 -8.756 -8.911 1.00 0.00 O ATOM 531 CB ALA A 38 -9.935 -10.845 -6.835 1.00 0.00 C ATOM 0 H ALA A 38 -11.813 -10.783 -5.246 1.00 0.00 H new ATOM 0 HA ALA A 38 -10.201 -8.769 -6.357 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -9.198 -10.667 -7.618 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -9.424 -11.053 -5.895 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -10.554 -11.699 -7.108 1.00 0.00 H new ATOM 537 N GLY A 39 -12.741 -9.447 -8.140 1.00 0.00 N ATOM 538 CA GLY A 39 -13.433 -9.095 -9.365 1.00 0.00 C ATOM 539 C GLY A 39 -13.564 -7.596 -9.534 1.00 0.00 C ATOM 540 O GLY A 39 -13.789 -7.098 -10.640 1.00 0.00 O ATOM 0 H GLY A 39 -13.334 -9.852 -7.415 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -12.895 -9.510 -10.217 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -14.425 -9.547 -9.364 1.00 0.00 H new ATOM 544 N LYS A 40 -13.372 -6.871 -8.441 1.00 0.00 N ATOM 545 CA LYS A 40 -13.418 -5.420 -8.469 1.00 0.00 C ATOM 546 C LYS A 40 -12.052 -4.839 -8.129 1.00 0.00 C ATOM 547 O LYS A 40 -11.310 -5.396 -7.321 1.00 0.00 O ATOM 548 CB LYS A 40 -14.470 -4.901 -7.487 1.00 0.00 C ATOM 549 CG LYS A 40 -15.819 -5.593 -7.618 1.00 0.00 C ATOM 550 CD LYS A 40 -16.895 -4.643 -8.117 1.00 0.00 C ATOM 551 CE LYS A 40 -18.280 -5.262 -7.999 1.00 0.00 C ATOM 552 NZ LYS A 40 -19.247 -4.340 -7.349 1.00 0.00 N ATOM 0 H LYS A 40 -13.182 -7.268 -7.521 1.00 0.00 H new ATOM 0 HA LYS A 40 -13.692 -5.103 -9.475 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -14.101 -5.032 -6.470 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -14.603 -3.830 -7.643 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -15.730 -6.435 -8.305 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -16.114 -6.000 -6.651 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -16.859 -3.717 -7.544 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -16.699 -4.382 -9.157 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -18.644 -5.529 -8.991 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -18.217 -6.186 -7.424 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -19.644 -4.794 -6.502 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -18.760 -3.463 -7.076 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -20.015 -4.117 -8.014 1.00 0.00 H new ATOM 566 N THR A 41 -11.736 -3.711 -8.738 1.00 0.00 N ATOM 567 CA THR A 41 -10.475 -3.037 -8.492 1.00 0.00 C ATOM 568 C THR A 41 -10.626 -2.005 -7.377 1.00 0.00 C ATOM 569 O THR A 41 -11.745 -1.691 -6.965 1.00 0.00 O ATOM 570 CB THR A 41 -9.976 -2.347 -9.773 1.00 0.00 C ATOM 571 OG1 THR A 41 -10.700 -2.861 -10.903 1.00 0.00 O ATOM 572 CG2 THR A 41 -8.484 -2.572 -9.971 1.00 0.00 C ATOM 0 H THR A 41 -12.340 -3.240 -9.411 1.00 0.00 H new ATOM 0 HA THR A 41 -9.745 -3.785 -8.183 1.00 0.00 H new ATOM 0 HB THR A 41 -10.147 -1.275 -9.679 1.00 0.00 H new ATOM 0 HG1 THR A 41 -10.385 -2.422 -11.721 1.00 0.00 H new ATOM 0 HG21 THR A 41 -8.159 -2.073 -10.884 1.00 0.00 H new ATOM 0 HG22 THR A 41 -7.938 -2.164 -9.120 1.00 0.00 H new ATOM 0 HG23 THR A 41 -8.285 -3.641 -10.051 1.00 0.00 H new ATOM 580 N CYS A 42 -9.508 -1.484 -6.895 1.00 0.00 N ATOM 581 CA CYS A 42 -9.527 -0.489 -5.834 1.00 0.00 C ATOM 582 C CYS A 42 -8.291 0.405 -5.916 1.00 0.00 C ATOM 583 O CYS A 42 -7.537 0.534 -4.954 1.00 0.00 O ATOM 584 CB CYS A 42 -9.602 -1.166 -4.463 1.00 0.00 C ATOM 585 SG CYS A 42 -10.276 -0.102 -3.144 1.00 0.00 S ATOM 0 H CYS A 42 -8.575 -1.734 -7.222 1.00 0.00 H new ATOM 0 HA CYS A 42 -10.414 0.132 -5.963 1.00 0.00 H new ATOM 0 HB2 CYS A 42 -10.219 -2.061 -4.545 1.00 0.00 H new ATOM 0 HB3 CYS A 42 -8.603 -1.493 -4.176 1.00 0.00 H new ATOM 590 N THR A 43 -8.108 1.057 -7.056 1.00 0.00 N ATOM 591 CA THR A 43 -6.998 1.978 -7.236 1.00 0.00 C ATOM 592 C THR A 43 -7.201 3.222 -6.378 1.00 0.00 C ATOM 593 O THR A 43 -8.165 3.969 -6.566 1.00 0.00 O ATOM 594 CB THR A 43 -6.852 2.388 -8.711 1.00 0.00 C ATOM 595 OG1 THR A 43 -7.154 1.268 -9.555 1.00 0.00 O ATOM 596 CG2 THR A 43 -5.445 2.889 -9.002 1.00 0.00 C ATOM 0 H THR A 43 -8.716 0.964 -7.870 1.00 0.00 H new ATOM 0 HA THR A 43 -6.086 1.468 -6.926 1.00 0.00 H new ATOM 0 HB THR A 43 -7.551 3.199 -8.914 1.00 0.00 H new ATOM 0 HG1 THR A 43 -6.360 0.700 -9.641 1.00 0.00 H new ATOM 0 HG21 THR A 43 -5.369 3.172 -10.052 1.00 0.00 H new ATOM 0 HG22 THR A 43 -5.231 3.755 -8.376 1.00 0.00 H new ATOM 0 HG23 THR A 43 -4.726 2.099 -8.787 1.00 0.00 H new ATOM 604 N LEU A 44 -6.334 3.406 -5.397 1.00 0.00 N ATOM 605 CA LEU A 44 -6.459 4.514 -4.470 1.00 0.00 C ATOM 606 C LEU A 44 -5.395 5.567 -4.740 1.00 0.00 C ATOM 607 O LEU A 44 -4.196 5.293 -4.652 1.00 0.00 O ATOM 608 CB LEU A 44 -6.350 4.016 -3.028 1.00 0.00 C ATOM 609 CG LEU A 44 -7.410 2.997 -2.608 1.00 0.00 C ATOM 610 CD1 LEU A 44 -6.778 1.869 -1.808 1.00 0.00 C ATOM 611 CD2 LEU A 44 -8.510 3.676 -1.807 1.00 0.00 C ATOM 0 H LEU A 44 -5.533 2.799 -5.223 1.00 0.00 H new ATOM 0 HA LEU A 44 -7.439 4.969 -4.614 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -5.365 3.570 -2.888 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -6.409 4.874 -2.359 1.00 0.00 H new ATOM 0 HG LEU A 44 -7.855 2.569 -3.506 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -7.547 1.153 -1.518 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -6.027 1.367 -2.418 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -6.306 2.277 -0.914 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -9.257 2.937 -1.516 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -8.082 4.131 -0.914 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -8.981 4.447 -2.417 1.00 0.00 H new ATOM 623 N ARG A 45 -5.845 6.790 -4.963 1.00 0.00 N ATOM 624 CA ARG A 45 -4.947 7.918 -5.120 1.00 0.00 C ATOM 625 C ARG A 45 -4.451 8.349 -3.751 1.00 0.00 C ATOM 626 O ARG A 45 -5.175 9.003 -2.995 1.00 0.00 O ATOM 627 CB ARG A 45 -5.663 9.074 -5.819 1.00 0.00 C ATOM 628 CG ARG A 45 -4.801 10.309 -6.007 1.00 0.00 C ATOM 629 CD ARG A 45 -5.442 11.526 -5.361 1.00 0.00 C ATOM 630 NE ARG A 45 -5.995 12.453 -6.347 1.00 0.00 N ATOM 631 CZ ARG A 45 -6.086 13.767 -6.159 1.00 0.00 C ATOM 632 NH1 ARG A 45 -5.692 14.307 -5.010 1.00 0.00 N ATOM 633 NH2 ARG A 45 -6.586 14.549 -7.110 1.00 0.00 N ATOM 0 H ARG A 45 -6.834 7.026 -5.040 1.00 0.00 H new ATOM 0 HA ARG A 45 -4.097 7.625 -5.737 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -6.012 8.735 -6.794 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -6.546 9.344 -5.240 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -3.816 10.139 -5.572 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -4.652 10.494 -7.071 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -6.235 11.201 -4.687 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -4.700 12.045 -4.754 1.00 0.00 H new ATOM 0 HE ARG A 45 -6.331 12.070 -7.231 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -5.319 13.714 -4.269 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -5.763 15.315 -4.869 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -6.903 14.143 -7.990 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -6.653 15.556 -6.960 1.00 0.00 H new ATOM 647 N ILE A 46 -3.270 7.885 -3.390 1.00 0.00 N ATOM 648 CA ILE A 46 -2.737 8.127 -2.064 1.00 0.00 C ATOM 649 C ILE A 46 -1.404 8.858 -2.135 1.00 0.00 C ATOM 650 O ILE A 46 -0.587 8.605 -3.020 1.00 0.00 O ATOM 651 CB ILE A 46 -2.554 6.812 -1.274 1.00 0.00 C ATOM 652 CG1 ILE A 46 -1.667 5.831 -2.045 1.00 0.00 C ATOM 653 CG2 ILE A 46 -3.907 6.184 -0.973 1.00 0.00 C ATOM 654 CD1 ILE A 46 -0.522 5.279 -1.223 1.00 0.00 C ATOM 0 H ILE A 46 -2.661 7.337 -3.998 1.00 0.00 H new ATOM 0 HA ILE A 46 -3.463 8.750 -1.542 1.00 0.00 H new ATOM 0 HB ILE A 46 -2.060 7.046 -0.331 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -2.280 5.003 -2.402 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -1.264 6.332 -2.925 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -3.763 5.258 -0.416 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -4.505 6.875 -0.379 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -4.424 5.968 -1.908 1.00 0.00 H new ATOM 0 HD11 ILE A 46 0.065 4.591 -1.832 1.00 0.00 H new ATOM 0 HD12 ILE A 46 0.113 6.099 -0.887 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -0.918 4.749 -0.357 1.00 0.00 H new ATOM 666 N LYS A 47 -1.170 9.716 -1.162 1.00 0.00 N ATOM 667 CA LYS A 47 0.088 10.431 -1.056 1.00 0.00 C ATOM 668 C LYS A 47 0.654 10.250 0.340 1.00 0.00 C ATOM 669 O LYS A 47 0.023 10.634 1.333 1.00 0.00 O ATOM 670 CB LYS A 47 -0.102 11.918 -1.369 1.00 0.00 C ATOM 671 CG LYS A 47 1.001 12.497 -2.239 1.00 0.00 C ATOM 672 CD LYS A 47 0.771 13.973 -2.528 1.00 0.00 C ATOM 673 CE LYS A 47 2.030 14.640 -3.061 1.00 0.00 C ATOM 674 NZ LYS A 47 1.874 15.076 -4.476 1.00 0.00 N ATOM 0 H LYS A 47 -1.841 9.937 -0.426 1.00 0.00 H new ATOM 0 HA LYS A 47 0.789 10.024 -1.785 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -1.060 12.057 -1.870 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -0.147 12.476 -0.434 1.00 0.00 H new ATOM 0 HG2 LYS A 47 1.962 12.369 -1.742 1.00 0.00 H new ATOM 0 HG3 LYS A 47 1.052 11.946 -3.178 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -0.035 14.081 -3.254 1.00 0.00 H new ATOM 0 HD3 LYS A 47 0.449 14.477 -1.617 1.00 0.00 H new ATOM 0 HE2 LYS A 47 2.274 15.503 -2.441 1.00 0.00 H new ATOM 0 HE3 LYS A 47 2.867 13.946 -2.986 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 2.563 15.826 -4.686 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 2.039 14.267 -5.109 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 0.911 15.440 -4.623 1.00 0.00 H new ATOM 688 N LEU A 48 1.796 9.591 0.418 1.00 0.00 N ATOM 689 CA LEU A 48 2.403 9.268 1.695 1.00 0.00 C ATOM 690 C LEU A 48 3.424 10.325 2.089 1.00 0.00 C ATOM 691 O LEU A 48 4.400 10.557 1.375 1.00 0.00 O ATOM 692 CB LEU A 48 3.078 7.897 1.631 1.00 0.00 C ATOM 693 CG LEU A 48 2.171 6.696 1.914 1.00 0.00 C ATOM 694 CD1 LEU A 48 2.939 5.395 1.716 1.00 0.00 C ATOM 695 CD2 LEU A 48 1.611 6.769 3.327 1.00 0.00 C ATOM 0 H LEU A 48 2.324 9.268 -0.393 1.00 0.00 H new ATOM 0 HA LEU A 48 1.615 9.244 2.448 1.00 0.00 H new ATOM 0 HB2 LEU A 48 3.515 7.773 0.640 1.00 0.00 H new ATOM 0 HB3 LEU A 48 3.901 7.884 2.346 1.00 0.00 H new ATOM 0 HG LEU A 48 1.338 6.721 1.212 1.00 0.00 H new ATOM 0 HD11 LEU A 48 2.282 4.550 1.921 1.00 0.00 H new ATOM 0 HD12 LEU A 48 3.296 5.336 0.688 1.00 0.00 H new ATOM 0 HD13 LEU A 48 3.789 5.367 2.398 1.00 0.00 H new ATOM 0 HD21 LEU A 48 0.969 5.907 3.509 1.00 0.00 H new ATOM 0 HD22 LEU A 48 2.432 6.768 4.044 1.00 0.00 H new ATOM 0 HD23 LEU A 48 1.030 7.684 3.441 1.00 0.00 H new ATOM 707 N ALA A 49 3.246 10.887 3.274 1.00 0.00 N ATOM 708 CA ALA A 49 4.206 11.824 3.820 1.00 0.00 C ATOM 709 C ALA A 49 5.431 11.064 4.312 1.00 0.00 C ATOM 710 O ALA A 49 5.323 9.898 4.699 1.00 0.00 O ATOM 711 CB ALA A 49 3.579 12.628 4.952 1.00 0.00 C ATOM 0 H ALA A 49 2.442 10.708 3.875 1.00 0.00 H new ATOM 0 HA ALA A 49 4.511 12.523 3.041 1.00 0.00 H new ATOM 0 HB1 ALA A 49 4.313 13.327 5.352 1.00 0.00 H new ATOM 0 HB2 ALA A 49 2.720 13.181 4.573 1.00 0.00 H new ATOM 0 HB3 ALA A 49 3.255 11.951 5.743 1.00 0.00 H new ATOM 717 N PRO A 50 6.619 11.684 4.234 1.00 0.00 N ATOM 718 CA PRO A 50 7.896 11.055 4.593 1.00 0.00 C ATOM 719 C PRO A 50 7.873 10.354 5.951 1.00 0.00 C ATOM 720 O PRO A 50 8.629 9.411 6.180 1.00 0.00 O ATOM 721 CB PRO A 50 8.890 12.228 4.622 1.00 0.00 C ATOM 722 CG PRO A 50 8.078 13.465 4.414 1.00 0.00 C ATOM 723 CD PRO A 50 6.829 13.037 3.709 1.00 0.00 C ATOM 0 HA PRO A 50 8.152 10.269 3.882 1.00 0.00 H new ATOM 0 HB2 PRO A 50 9.421 12.266 5.573 1.00 0.00 H new ATOM 0 HB3 PRO A 50 9.643 12.120 3.841 1.00 0.00 H new ATOM 0 HG2 PRO A 50 7.843 13.940 5.366 1.00 0.00 H new ATOM 0 HG3 PRO A 50 8.628 14.195 3.821 1.00 0.00 H new ATOM 0 HD2 PRO A 50 5.990 13.695 3.934 1.00 0.00 H new ATOM 0 HD3 PRO A 50 6.953 13.038 2.626 1.00 0.00 H new ATOM 731 N ASP A 51 7.034 10.834 6.859 1.00 0.00 N ATOM 732 CA ASP A 51 6.961 10.266 8.203 1.00 0.00 C ATOM 733 C ASP A 51 6.118 8.990 8.243 1.00 0.00 C ATOM 734 O ASP A 51 5.872 8.432 9.312 1.00 0.00 O ATOM 735 CB ASP A 51 6.397 11.292 9.187 1.00 0.00 C ATOM 736 CG ASP A 51 7.209 11.360 10.464 1.00 0.00 C ATOM 737 OD1 ASP A 51 8.204 10.617 10.583 1.00 0.00 O ATOM 738 OD2 ASP A 51 6.854 12.154 11.357 1.00 0.00 O ATOM 0 H ASP A 51 6.396 11.612 6.693 1.00 0.00 H new ATOM 0 HA ASP A 51 7.977 10.002 8.496 1.00 0.00 H new ATOM 0 HB2 ASP A 51 6.380 12.275 8.716 1.00 0.00 H new ATOM 0 HB3 ASP A 51 5.365 11.035 9.427 1.00 0.00 H new ATOM 743 N GLY A 52 5.717 8.505 7.075 1.00 0.00 N ATOM 744 CA GLY A 52 4.958 7.272 7.004 1.00 0.00 C ATOM 745 C GLY A 52 3.507 7.466 7.386 1.00 0.00 C ATOM 746 O GLY A 52 2.948 6.685 8.155 1.00 0.00 O ATOM 0 H GLY A 52 5.904 8.945 6.174 1.00 0.00 H new ATOM 0 HA2 GLY A 52 5.014 6.872 5.992 1.00 0.00 H new ATOM 0 HA3 GLY A 52 5.409 6.532 7.665 1.00 0.00 H new ATOM 750 N MET A 53 2.892 8.501 6.837 1.00 0.00 N ATOM 751 CA MET A 53 1.491 8.788 7.108 1.00 0.00 C ATOM 752 C MET A 53 0.834 9.367 5.866 1.00 0.00 C ATOM 753 O MET A 53 1.448 10.148 5.143 1.00 0.00 O ATOM 754 CB MET A 53 1.352 9.761 8.286 1.00 0.00 C ATOM 755 CG MET A 53 2.400 10.862 8.303 1.00 0.00 C ATOM 756 SD MET A 53 1.884 12.300 9.255 1.00 0.00 S ATOM 757 CE MET A 53 2.940 12.150 10.694 1.00 0.00 C ATOM 0 H MET A 53 3.341 9.158 6.199 1.00 0.00 H new ATOM 0 HA MET A 53 0.991 7.857 7.376 1.00 0.00 H new ATOM 0 HB2 MET A 53 0.362 10.216 8.254 1.00 0.00 H new ATOM 0 HB3 MET A 53 1.414 9.199 9.218 1.00 0.00 H new ATOM 0 HG2 MET A 53 3.327 10.469 8.721 1.00 0.00 H new ATOM 0 HG3 MET A 53 2.616 11.168 7.279 1.00 0.00 H new ATOM 0 HE1 MET A 53 2.499 12.697 11.527 1.00 0.00 H new ATOM 0 HE2 MET A 53 3.041 11.099 10.963 1.00 0.00 H new ATOM 0 HE3 MET A 53 3.923 12.563 10.468 1.00 0.00 H new ATOM 767 N LEU A 54 -0.390 8.943 5.591 1.00 0.00 N ATOM 768 CA LEU A 54 -1.095 9.389 4.397 1.00 0.00 C ATOM 769 C LEU A 54 -1.626 10.803 4.578 1.00 0.00 C ATOM 770 O LEU A 54 -2.442 11.060 5.467 1.00 0.00 O ATOM 771 CB LEU A 54 -2.255 8.441 4.059 1.00 0.00 C ATOM 772 CG LEU A 54 -2.167 7.047 4.680 1.00 0.00 C ATOM 773 CD1 LEU A 54 -3.308 6.825 5.663 1.00 0.00 C ATOM 774 CD2 LEU A 54 -2.179 5.982 3.593 1.00 0.00 C ATOM 0 H LEU A 54 -0.915 8.293 6.176 1.00 0.00 H new ATOM 0 HA LEU A 54 -0.383 9.382 3.572 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -3.187 8.905 4.382 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -2.310 8.334 2.976 1.00 0.00 H new ATOM 0 HG LEU A 54 -1.228 6.971 5.227 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -3.228 5.827 6.094 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -3.254 7.569 6.458 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -4.261 6.919 5.142 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -2.116 4.995 4.050 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -3.103 6.058 3.020 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -1.327 6.130 2.929 1.00 0.00 H new ATOM 786 N LEU A 55 -1.221 11.698 3.690 1.00 0.00 N ATOM 787 CA LEU A 55 -1.727 13.063 3.700 1.00 0.00 C ATOM 788 C LEU A 55 -2.914 13.169 2.750 1.00 0.00 C ATOM 789 O LEU A 55 -3.874 13.898 3.008 1.00 0.00 O ATOM 790 CB LEU A 55 -0.627 14.064 3.306 1.00 0.00 C ATOM 791 CG LEU A 55 -0.087 13.930 1.879 1.00 0.00 C ATOM 792 CD1 LEU A 55 -0.484 15.140 1.045 1.00 0.00 C ATOM 793 CD2 LEU A 55 1.426 13.771 1.902 1.00 0.00 C ATOM 0 H LEU A 55 -0.543 11.504 2.953 1.00 0.00 H new ATOM 0 HA LEU A 55 -2.051 13.311 4.711 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -1.018 15.074 3.434 1.00 0.00 H new ATOM 0 HB3 LEU A 55 0.205 13.954 4.001 1.00 0.00 H new ATOM 0 HG LEU A 55 -0.523 13.041 1.423 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -0.093 15.029 0.034 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -1.571 15.215 1.007 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -0.073 16.043 1.496 1.00 0.00 H new ATOM 0 HD21 LEU A 55 1.797 13.677 0.882 1.00 0.00 H new ATOM 0 HD22 LEU A 55 1.877 14.645 2.373 1.00 0.00 H new ATOM 0 HD23 LEU A 55 1.689 12.877 2.468 1.00 0.00 H new ATOM 805 N ASP A 56 -2.874 12.360 1.700 1.00 0.00 N ATOM 806 CA ASP A 56 -3.973 12.267 0.752 1.00 0.00 C ATOM 807 C ASP A 56 -4.347 10.808 0.545 1.00 0.00 C ATOM 808 O ASP A 56 -3.467 9.946 0.451 1.00 0.00 O ATOM 809 CB ASP A 56 -3.590 12.907 -0.589 1.00 0.00 C ATOM 810 CG ASP A 56 -4.804 13.248 -1.432 1.00 0.00 C ATOM 811 OD1 ASP A 56 -5.911 13.366 -0.868 1.00 0.00 O ATOM 812 OD2 ASP A 56 -4.650 13.429 -2.659 1.00 0.00 O ATOM 0 H ASP A 56 -2.083 11.753 1.483 1.00 0.00 H new ATOM 0 HA ASP A 56 -4.829 12.807 1.156 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -3.012 13.813 -0.405 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -2.945 12.225 -1.144 1.00 0.00 H new ATOM 817 N ILE A 57 -5.640 10.532 0.486 1.00 0.00 N ATOM 818 CA ILE A 57 -6.127 9.173 0.296 1.00 0.00 C ATOM 819 C ILE A 57 -7.559 9.198 -0.241 1.00 0.00 C ATOM 820 O ILE A 57 -8.496 9.600 0.454 1.00 0.00 O ATOM 821 CB ILE A 57 -6.050 8.342 1.606 1.00 0.00 C ATOM 822 CG1 ILE A 57 -6.734 6.984 1.425 1.00 0.00 C ATOM 823 CG2 ILE A 57 -6.655 9.101 2.785 1.00 0.00 C ATOM 824 CD1 ILE A 57 -6.133 5.886 2.276 1.00 0.00 C ATOM 0 H ILE A 57 -6.375 11.234 0.567 1.00 0.00 H new ATOM 0 HA ILE A 57 -5.480 8.687 -0.434 1.00 0.00 H new ATOM 0 HB ILE A 57 -4.997 8.171 1.830 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -7.792 7.084 1.669 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -6.675 6.693 0.376 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -6.585 8.491 3.685 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -6.111 10.033 2.935 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -7.702 9.321 2.577 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -6.667 4.953 2.096 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -5.082 5.758 2.016 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -6.217 6.155 3.329 1.00 0.00 H new ATOM 836 N LYS A 58 -7.707 8.867 -1.516 1.00 0.00 N ATOM 837 CA LYS A 58 -9.002 8.946 -2.181 1.00 0.00 C ATOM 838 C LYS A 58 -9.155 7.830 -3.208 1.00 0.00 C ATOM 839 O LYS A 58 -8.224 7.540 -3.957 1.00 0.00 O ATOM 840 CB LYS A 58 -9.160 10.304 -2.875 1.00 0.00 C ATOM 841 CG LYS A 58 -9.864 11.347 -2.025 1.00 0.00 C ATOM 842 CD LYS A 58 -9.093 12.655 -2.000 1.00 0.00 C ATOM 843 CE LYS A 58 -9.060 13.249 -0.603 1.00 0.00 C ATOM 844 NZ LYS A 58 -9.950 14.432 -0.479 1.00 0.00 N ATOM 0 H LYS A 58 -6.946 8.541 -2.112 1.00 0.00 H new ATOM 0 HA LYS A 58 -9.777 8.834 -1.423 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -8.174 10.678 -3.150 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -9.718 10.166 -3.801 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -10.866 11.521 -2.417 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -9.980 10.972 -1.008 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -8.075 12.486 -2.350 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -9.553 13.364 -2.688 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -9.362 12.491 0.120 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -8.038 13.537 -0.356 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -9.897 14.806 0.490 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -9.647 15.166 -1.151 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -10.930 14.153 -0.689 1.00 0.00 H new ATOM 858 N PRO A 59 -10.350 7.231 -3.300 1.00 0.00 N ATOM 859 CA PRO A 59 -10.640 6.198 -4.296 1.00 0.00 C ATOM 860 C PRO A 59 -10.610 6.771 -5.710 1.00 0.00 C ATOM 861 O PRO A 59 -11.313 7.737 -6.009 1.00 0.00 O ATOM 862 CB PRO A 59 -12.061 5.726 -3.942 1.00 0.00 C ATOM 863 CG PRO A 59 -12.349 6.296 -2.592 1.00 0.00 C ATOM 864 CD PRO A 59 -11.535 7.554 -2.493 1.00 0.00 C ATOM 0 HA PRO A 59 -9.906 5.393 -4.279 1.00 0.00 H new ATOM 0 HB2 PRO A 59 -12.785 6.076 -4.678 1.00 0.00 H new ATOM 0 HB3 PRO A 59 -12.121 4.638 -3.929 1.00 0.00 H new ATOM 0 HG2 PRO A 59 -13.412 6.509 -2.477 1.00 0.00 H new ATOM 0 HG3 PRO A 59 -12.077 5.592 -1.805 1.00 0.00 H new ATOM 0 HD2 PRO A 59 -12.072 8.417 -2.888 1.00 0.00 H new ATOM 0 HD3 PRO A 59 -11.272 7.787 -1.461 1.00 0.00 H new ATOM 872 N GLU A 60 -9.738 6.236 -6.555 1.00 0.00 N ATOM 873 CA GLU A 60 -9.572 6.769 -7.897 1.00 0.00 C ATOM 874 C GLU A 60 -10.272 5.898 -8.932 1.00 0.00 C ATOM 875 O GLU A 60 -11.030 6.399 -9.762 1.00 0.00 O ATOM 876 CB GLU A 60 -8.092 6.912 -8.240 1.00 0.00 C ATOM 877 CG GLU A 60 -7.763 8.270 -8.829 1.00 0.00 C ATOM 878 CD GLU A 60 -6.361 8.361 -9.393 1.00 0.00 C ATOM 879 OE1 GLU A 60 -5.957 7.455 -10.148 1.00 0.00 O ATOM 880 OE2 GLU A 60 -5.668 9.355 -9.097 1.00 0.00 O ATOM 0 H GLU A 60 -9.140 5.439 -6.335 1.00 0.00 H new ATOM 0 HA GLU A 60 -10.035 7.756 -7.919 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -7.497 6.755 -7.340 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -7.809 6.134 -8.949 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -8.479 8.498 -9.619 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -7.886 9.031 -8.058 1.00 0.00 H new ATOM 887 N GLY A 61 -10.024 4.601 -8.875 1.00 0.00 N ATOM 888 CA GLY A 61 -10.648 3.690 -9.812 1.00 0.00 C ATOM 889 C GLY A 61 -10.951 2.345 -9.189 1.00 0.00 C ATOM 890 O GLY A 61 -10.039 1.578 -8.885 1.00 0.00 O ATOM 0 H GLY A 61 -9.402 4.161 -8.197 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -11.572 4.132 -10.185 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -9.992 3.551 -10.671 1.00 0.00 H new ATOM 894 N GLY A 62 -12.225 2.045 -9.008 1.00 0.00 N ATOM 895 CA GLY A 62 -12.596 0.771 -8.431 1.00 0.00 C ATOM 896 C GLY A 62 -13.996 0.776 -7.866 1.00 0.00 C ATOM 897 O GLY A 62 -14.802 1.645 -8.199 1.00 0.00 O ATOM 0 H GLY A 62 -13.006 2.656 -9.248 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -12.518 -0.005 -9.192 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -11.890 0.515 -7.641 1.00 0.00 H new ATOM 901 N ASP A 63 -14.284 -0.191 -7.010 1.00 0.00 N ATOM 902 CA ASP A 63 -15.599 -0.304 -6.393 1.00 0.00 C ATOM 903 C ASP A 63 -15.743 0.691 -5.244 1.00 0.00 C ATOM 904 O ASP A 63 -14.855 0.808 -4.396 1.00 0.00 O ATOM 905 CB ASP A 63 -15.830 -1.730 -5.890 1.00 0.00 C ATOM 906 CG ASP A 63 -17.215 -1.924 -5.306 1.00 0.00 C ATOM 907 OD1 ASP A 63 -17.406 -1.627 -4.114 1.00 0.00 O ATOM 908 OD2 ASP A 63 -18.116 -2.384 -6.033 1.00 0.00 O ATOM 0 H ASP A 63 -13.622 -0.913 -6.725 1.00 0.00 H new ATOM 0 HA ASP A 63 -16.352 -0.072 -7.146 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -15.685 -2.430 -6.713 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -15.083 -1.970 -5.133 1.00 0.00 H new ATOM 913 N PRO A 64 -16.842 1.468 -5.236 1.00 0.00 N ATOM 914 CA PRO A 64 -17.078 2.511 -4.231 1.00 0.00 C ATOM 915 C PRO A 64 -17.185 1.957 -2.813 1.00 0.00 C ATOM 916 O PRO A 64 -16.753 2.597 -1.856 1.00 0.00 O ATOM 917 CB PRO A 64 -18.414 3.132 -4.654 1.00 0.00 C ATOM 918 CG PRO A 64 -18.570 2.770 -6.090 1.00 0.00 C ATOM 919 CD PRO A 64 -17.912 1.431 -6.247 1.00 0.00 C ATOM 0 HA PRO A 64 -16.250 3.220 -4.197 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -19.238 2.741 -4.057 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -18.407 4.213 -4.518 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -19.623 2.724 -6.370 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -18.101 3.514 -6.734 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -18.611 0.614 -6.066 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -17.513 1.292 -7.252 1.00 0.00 H new ATOM 927 N ALA A 65 -17.739 0.760 -2.686 1.00 0.00 N ATOM 928 CA ALA A 65 -17.876 0.120 -1.387 1.00 0.00 C ATOM 929 C ALA A 65 -16.559 -0.512 -0.959 1.00 0.00 C ATOM 930 O ALA A 65 -16.152 -0.405 0.200 1.00 0.00 O ATOM 931 CB ALA A 65 -18.981 -0.924 -1.428 1.00 0.00 C ATOM 0 H ALA A 65 -18.101 0.213 -3.467 1.00 0.00 H new ATOM 0 HA ALA A 65 -18.143 0.880 -0.653 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -19.073 -1.395 -0.449 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -19.924 -0.445 -1.690 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -18.739 -1.681 -2.174 1.00 0.00 H new ATOM 937 N LEU A 66 -15.891 -1.151 -1.911 1.00 0.00 N ATOM 938 CA LEU A 66 -14.603 -1.788 -1.665 1.00 0.00 C ATOM 939 C LEU A 66 -13.583 -0.768 -1.175 1.00 0.00 C ATOM 940 O LEU A 66 -12.911 -0.975 -0.166 1.00 0.00 O ATOM 941 CB LEU A 66 -14.088 -2.450 -2.946 1.00 0.00 C ATOM 942 CG LEU A 66 -12.844 -3.326 -2.787 1.00 0.00 C ATOM 943 CD1 LEU A 66 -13.094 -4.445 -1.787 1.00 0.00 C ATOM 944 CD2 LEU A 66 -12.428 -3.894 -4.135 1.00 0.00 C ATOM 0 H LEU A 66 -16.224 -1.242 -2.871 1.00 0.00 H new ATOM 0 HA LEU A 66 -14.741 -2.547 -0.895 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -14.888 -3.060 -3.365 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -13.869 -1.669 -3.674 1.00 0.00 H new ATOM 0 HG LEU A 66 -12.033 -2.708 -2.403 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -12.195 -5.054 -1.691 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -13.347 -4.017 -0.817 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -13.919 -5.067 -2.135 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -11.542 -4.516 -4.010 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -13.240 -4.497 -4.542 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -12.204 -3.077 -4.821 1.00 0.00 H new ATOM 956 N CYS A 67 -13.438 0.308 -1.930 1.00 0.00 N ATOM 957 CA CYS A 67 -12.452 1.327 -1.615 1.00 0.00 C ATOM 958 C CYS A 67 -12.869 2.162 -0.409 1.00 0.00 C ATOM 959 O CYS A 67 -12.033 2.792 0.233 1.00 0.00 O ATOM 960 CB CYS A 67 -12.208 2.214 -2.834 1.00 0.00 C ATOM 961 SG CYS A 67 -11.223 1.400 -4.135 1.00 0.00 S ATOM 0 H CYS A 67 -13.991 0.498 -2.766 1.00 0.00 H new ATOM 0 HA CYS A 67 -11.521 0.825 -1.352 1.00 0.00 H new ATOM 0 HB2 CYS A 67 -13.168 2.517 -3.252 1.00 0.00 H new ATOM 0 HB3 CYS A 67 -11.697 3.123 -2.517 1.00 0.00 H new ATOM 966 N GLN A 68 -14.139 2.072 -0.032 1.00 0.00 N ATOM 967 CA GLN A 68 -14.616 2.729 1.179 1.00 0.00 C ATOM 968 C GLN A 68 -14.098 1.990 2.408 1.00 0.00 C ATOM 969 O GLN A 68 -13.668 2.603 3.387 1.00 0.00 O ATOM 970 CB GLN A 68 -16.145 2.778 1.202 1.00 0.00 C ATOM 971 CG GLN A 68 -16.705 4.152 1.533 1.00 0.00 C ATOM 972 CD GLN A 68 -16.557 4.506 3.001 1.00 0.00 C ATOM 973 OE1 GLN A 68 -15.880 5.473 3.353 1.00 0.00 O ATOM 974 NE2 GLN A 68 -17.198 3.735 3.868 1.00 0.00 N ATOM 0 H GLN A 68 -14.853 1.554 -0.544 1.00 0.00 H new ATOM 0 HA GLN A 68 -14.239 3.752 1.190 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -16.525 2.465 0.230 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -16.512 2.059 1.934 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -16.195 4.903 0.929 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -17.760 4.186 1.260 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -17.749 2.943 3.536 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -17.141 3.934 4.867 1.00 0.00 H new ATOM 983 N ALA A 69 -14.080 0.666 2.316 1.00 0.00 N ATOM 984 CA ALA A 69 -13.551 -0.167 3.382 1.00 0.00 C ATOM 985 C ALA A 69 -12.030 -0.089 3.411 1.00 0.00 C ATOM 986 O ALA A 69 -11.410 -0.217 4.467 1.00 0.00 O ATOM 987 CB ALA A 69 -14.008 -1.606 3.200 1.00 0.00 C ATOM 0 H ALA A 69 -14.428 0.147 1.510 1.00 0.00 H new ATOM 0 HA ALA A 69 -13.932 0.200 4.335 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -13.605 -2.220 4.005 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -15.097 -1.647 3.222 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -13.650 -1.983 2.242 1.00 0.00 H new ATOM 993 N ALA A 70 -11.437 0.134 2.241 1.00 0.00 N ATOM 994 CA ALA A 70 -9.988 0.242 2.120 1.00 0.00 C ATOM 995 C ALA A 70 -9.451 1.400 2.950 1.00 0.00 C ATOM 996 O ALA A 70 -8.399 1.283 3.576 1.00 0.00 O ATOM 997 CB ALA A 70 -9.587 0.403 0.661 1.00 0.00 C ATOM 0 H ALA A 70 -11.941 0.244 1.361 1.00 0.00 H new ATOM 0 HA ALA A 70 -9.549 -0.679 2.504 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -8.502 0.482 0.588 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -9.926 -0.463 0.093 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -10.045 1.305 0.255 1.00 0.00 H new ATOM 1003 N LEU A 71 -10.195 2.504 2.982 1.00 0.00 N ATOM 1004 CA LEU A 71 -9.805 3.668 3.771 1.00 0.00 C ATOM 1005 C LEU A 71 -9.747 3.307 5.254 1.00 0.00 C ATOM 1006 O LEU A 71 -8.818 3.688 5.966 1.00 0.00 O ATOM 1007 CB LEU A 71 -10.788 4.824 3.559 1.00 0.00 C ATOM 1008 CG LEU A 71 -11.198 5.077 2.108 1.00 0.00 C ATOM 1009 CD1 LEU A 71 -12.600 5.661 2.042 1.00 0.00 C ATOM 1010 CD2 LEU A 71 -10.206 6.004 1.425 1.00 0.00 C ATOM 0 H LEU A 71 -11.070 2.616 2.471 1.00 0.00 H new ATOM 0 HA LEU A 71 -8.816 3.985 3.440 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -11.686 4.627 4.144 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -10.342 5.736 3.957 1.00 0.00 H new ATOM 0 HG LEU A 71 -11.196 4.122 1.582 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -12.873 5.834 1.001 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -13.306 4.963 2.492 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -12.627 6.605 2.586 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -10.515 6.172 0.393 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -10.175 6.957 1.954 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -9.215 5.549 1.437 1.00 0.00 H new ATOM 1022 N ALA A 72 -10.727 2.532 5.699 1.00 0.00 N ATOM 1023 CA ALA A 72 -10.775 2.077 7.082 1.00 0.00 C ATOM 1024 C ALA A 72 -9.638 1.107 7.372 1.00 0.00 C ATOM 1025 O ALA A 72 -8.959 1.219 8.394 1.00 0.00 O ATOM 1026 CB ALA A 72 -12.118 1.426 7.375 1.00 0.00 C ATOM 0 H ALA A 72 -11.501 2.205 5.121 1.00 0.00 H new ATOM 0 HA ALA A 72 -10.656 2.943 7.733 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -12.141 1.090 8.412 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -12.917 2.149 7.210 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -12.260 0.571 6.714 1.00 0.00 H new ATOM 1032 N ALA A 73 -9.447 0.148 6.479 1.00 0.00 N ATOM 1033 CA ALA A 73 -8.412 -0.862 6.645 1.00 0.00 C ATOM 1034 C ALA A 73 -7.023 -0.237 6.677 1.00 0.00 C ATOM 1035 O ALA A 73 -6.204 -0.588 7.519 1.00 0.00 O ATOM 1036 CB ALA A 73 -8.495 -1.891 5.533 1.00 0.00 C ATOM 0 H ALA A 73 -9.999 0.048 5.627 1.00 0.00 H new ATOM 0 HA ALA A 73 -8.581 -1.356 7.602 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -7.715 -2.639 5.671 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -9.471 -2.376 5.558 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -8.359 -1.398 4.570 1.00 0.00 H new ATOM 1042 N ALA A 74 -6.763 0.673 5.746 1.00 0.00 N ATOM 1043 CA ALA A 74 -5.462 1.330 5.652 1.00 0.00 C ATOM 1044 C ALA A 74 -5.181 2.185 6.885 1.00 0.00 C ATOM 1045 O ALA A 74 -4.031 2.341 7.297 1.00 0.00 O ATOM 1046 CB ALA A 74 -5.396 2.177 4.389 1.00 0.00 C ATOM 0 H ALA A 74 -7.437 0.975 5.043 1.00 0.00 H new ATOM 0 HA ALA A 74 -4.694 0.558 5.603 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -4.422 2.663 4.327 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -5.540 1.540 3.516 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -6.179 2.935 4.418 1.00 0.00 H new ATOM 1052 N LYS A 75 -6.240 2.717 7.485 1.00 0.00 N ATOM 1053 CA LYS A 75 -6.112 3.532 8.687 1.00 0.00 C ATOM 1054 C LYS A 75 -5.862 2.644 9.908 1.00 0.00 C ATOM 1055 O LYS A 75 -5.146 3.026 10.834 1.00 0.00 O ATOM 1056 CB LYS A 75 -7.376 4.389 8.870 1.00 0.00 C ATOM 1057 CG LYS A 75 -7.815 4.584 10.314 1.00 0.00 C ATOM 1058 CD LYS A 75 -9.201 4.004 10.549 1.00 0.00 C ATOM 1059 CE LYS A 75 -10.278 4.840 9.874 1.00 0.00 C ATOM 1060 NZ LYS A 75 -11.605 4.675 10.527 1.00 0.00 N ATOM 0 H LYS A 75 -7.199 2.598 7.158 1.00 0.00 H new ATOM 0 HA LYS A 75 -5.257 4.199 8.581 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -7.201 5.368 8.423 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -8.194 3.927 8.316 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -7.099 4.106 10.982 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -7.816 5.647 10.556 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -9.239 2.984 10.168 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -9.398 3.952 11.620 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -9.990 5.891 9.900 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -10.353 4.555 8.824 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -12.309 5.262 10.036 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -11.893 3.677 10.480 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -11.541 4.971 11.522 1.00 0.00 H new ATOM 1074 N LEU A 76 -6.436 1.448 9.887 1.00 0.00 N ATOM 1075 CA LEU A 76 -6.258 0.491 10.973 1.00 0.00 C ATOM 1076 C LEU A 76 -4.928 -0.241 10.833 1.00 0.00 C ATOM 1077 O LEU A 76 -4.308 -0.625 11.825 1.00 0.00 O ATOM 1078 CB LEU A 76 -7.405 -0.519 10.984 1.00 0.00 C ATOM 1079 CG LEU A 76 -8.347 -0.418 12.184 1.00 0.00 C ATOM 1080 CD1 LEU A 76 -9.751 -0.846 11.792 1.00 0.00 C ATOM 1081 CD2 LEU A 76 -7.830 -1.269 13.334 1.00 0.00 C ATOM 0 H LEU A 76 -7.031 1.116 9.128 1.00 0.00 H new ATOM 0 HA LEU A 76 -6.258 1.041 11.914 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -7.989 -0.392 10.072 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -6.984 -1.524 10.956 1.00 0.00 H new ATOM 0 HG LEU A 76 -8.383 0.621 12.512 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -10.410 -0.769 12.657 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -10.120 -0.199 10.996 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -9.732 -1.878 11.441 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -8.511 -1.187 14.182 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -7.768 -2.310 13.017 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -6.840 -0.920 13.629 1.00 0.00 H new ATOM 1093 N ALA A 77 -4.502 -0.433 9.594 1.00 0.00 N ATOM 1094 CA ALA A 77 -3.253 -1.117 9.305 1.00 0.00 C ATOM 1095 C ALA A 77 -2.059 -0.260 9.698 1.00 0.00 C ATOM 1096 O ALA A 77 -2.165 0.962 9.802 1.00 0.00 O ATOM 1097 CB ALA A 77 -3.175 -1.474 7.830 1.00 0.00 C ATOM 0 H ALA A 77 -5.009 -0.121 8.766 1.00 0.00 H new ATOM 0 HA ALA A 77 -3.226 -2.034 9.894 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -2.234 -1.986 7.629 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -4.007 -2.128 7.570 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -3.228 -0.564 7.232 1.00 0.00 H new ATOM 1103 N LYS A 78 -0.929 -0.903 9.919 1.00 0.00 N ATOM 1104 CA LYS A 78 0.279 -0.200 10.303 1.00 0.00 C ATOM 1105 C LYS A 78 1.280 -0.190 9.157 1.00 0.00 C ATOM 1106 O LYS A 78 2.085 -1.114 9.012 1.00 0.00 O ATOM 1107 CB LYS A 78 0.897 -0.852 11.539 1.00 0.00 C ATOM 1108 CG LYS A 78 1.306 0.142 12.613 1.00 0.00 C ATOM 1109 CD LYS A 78 2.714 -0.137 13.123 1.00 0.00 C ATOM 1110 CE LYS A 78 2.730 -1.282 14.126 1.00 0.00 C ATOM 1111 NZ LYS A 78 1.773 -1.063 15.243 1.00 0.00 N ATOM 0 H LYS A 78 -0.822 -1.914 9.839 1.00 0.00 H new ATOM 0 HA LYS A 78 0.018 0.831 10.541 1.00 0.00 H new ATOM 0 HB2 LYS A 78 0.182 -1.558 11.963 1.00 0.00 H new ATOM 0 HB3 LYS A 78 1.772 -1.427 11.236 1.00 0.00 H new ATOM 0 HG2 LYS A 78 1.257 1.154 12.211 1.00 0.00 H new ATOM 0 HG3 LYS A 78 0.601 0.094 13.443 1.00 0.00 H new ATOM 0 HD2 LYS A 78 3.365 -0.379 12.283 1.00 0.00 H new ATOM 0 HD3 LYS A 78 3.117 0.762 13.589 1.00 0.00 H new ATOM 0 HE2 LYS A 78 2.484 -2.213 13.616 1.00 0.00 H new ATOM 0 HE3 LYS A 78 3.736 -1.396 14.529 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 2.218 -1.341 16.141 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 1.511 -0.057 15.284 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 0.920 -1.637 15.087 1.00 0.00 H new ATOM 1125 N ILE A 79 1.253 0.873 8.371 1.00 0.00 N ATOM 1126 CA ILE A 79 2.185 1.033 7.266 1.00 0.00 C ATOM 1127 C ILE A 79 3.552 1.442 7.799 1.00 0.00 C ATOM 1128 O ILE A 79 3.676 2.436 8.514 1.00 0.00 O ATOM 1129 CB ILE A 79 1.686 2.091 6.253 1.00 0.00 C ATOM 1130 CG1 ILE A 79 0.261 1.765 5.786 1.00 0.00 C ATOM 1131 CG2 ILE A 79 2.627 2.190 5.059 1.00 0.00 C ATOM 1132 CD1 ILE A 79 0.088 0.352 5.270 1.00 0.00 C ATOM 0 H ILE A 79 0.592 1.642 8.478 1.00 0.00 H new ATOM 0 HA ILE A 79 2.260 0.076 6.749 1.00 0.00 H new ATOM 0 HB ILE A 79 1.673 3.057 6.757 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -0.427 1.924 6.616 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -0.021 2.465 4.999 1.00 0.00 H new ATOM 0 HG21 ILE A 79 2.253 2.940 4.362 1.00 0.00 H new ATOM 0 HG22 ILE A 79 3.621 2.476 5.402 1.00 0.00 H new ATOM 0 HG23 ILE A 79 2.681 1.224 4.557 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -0.946 0.202 4.960 1.00 0.00 H new ATOM 0 HD12 ILE A 79 0.749 0.192 4.418 1.00 0.00 H new ATOM 0 HD13 ILE A 79 0.336 -0.357 6.060 1.00 0.00 H new ATOM 1144 N PRO A 80 4.588 0.647 7.501 1.00 0.00 N ATOM 1145 CA PRO A 80 5.944 0.900 7.989 1.00 0.00 C ATOM 1146 C PRO A 80 6.520 2.182 7.408 1.00 0.00 C ATOM 1147 O PRO A 80 6.181 2.572 6.292 1.00 0.00 O ATOM 1148 CB PRO A 80 6.747 -0.312 7.493 1.00 0.00 C ATOM 1149 CG PRO A 80 5.726 -1.345 7.162 1.00 0.00 C ATOM 1150 CD PRO A 80 4.518 -0.584 6.702 1.00 0.00 C ATOM 0 HA PRO A 80 5.970 1.024 9.072 1.00 0.00 H new ATOM 0 HB2 PRO A 80 7.347 -0.057 6.620 1.00 0.00 H new ATOM 0 HB3 PRO A 80 7.435 -0.669 8.259 1.00 0.00 H new ATOM 0 HG2 PRO A 80 6.086 -2.017 6.383 1.00 0.00 H new ATOM 0 HG3 PRO A 80 5.494 -1.960 8.031 1.00 0.00 H new ATOM 0 HD2 PRO A 80 4.554 -0.375 5.633 1.00 0.00 H new ATOM 0 HD3 PRO A 80 3.597 -1.136 6.888 1.00 0.00 H new ATOM 1158 N LYS A 81 7.448 2.790 8.130 1.00 0.00 N ATOM 1159 CA LYS A 81 8.132 3.970 7.635 1.00 0.00 C ATOM 1160 C LYS A 81 9.138 3.555 6.565 1.00 0.00 C ATOM 1161 O LYS A 81 9.700 2.462 6.640 1.00 0.00 O ATOM 1162 CB LYS A 81 8.844 4.693 8.783 1.00 0.00 C ATOM 1163 CG LYS A 81 8.519 6.176 8.867 1.00 0.00 C ATOM 1164 CD LYS A 81 9.223 6.838 10.040 1.00 0.00 C ATOM 1165 CE LYS A 81 8.274 7.049 11.210 1.00 0.00 C ATOM 1166 NZ LYS A 81 8.504 8.349 11.890 1.00 0.00 N ATOM 0 H LYS A 81 7.743 2.486 9.058 1.00 0.00 H new ATOM 0 HA LYS A 81 7.404 4.655 7.200 1.00 0.00 H new ATOM 0 HB2 LYS A 81 8.572 4.217 9.725 1.00 0.00 H new ATOM 0 HB3 LYS A 81 9.921 4.572 8.664 1.00 0.00 H new ATOM 0 HG2 LYS A 81 8.815 6.667 7.940 1.00 0.00 H new ATOM 0 HG3 LYS A 81 7.442 6.308 8.967 1.00 0.00 H new ATOM 0 HD2 LYS A 81 10.063 6.220 10.358 1.00 0.00 H new ATOM 0 HD3 LYS A 81 9.634 7.797 9.725 1.00 0.00 H new ATOM 0 HE2 LYS A 81 7.245 7.004 10.854 1.00 0.00 H new ATOM 0 HE3 LYS A 81 8.399 6.238 11.928 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 7.814 8.465 12.659 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 9.467 8.370 12.283 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 8.393 9.124 11.205 1.00 0.00 H new ATOM 1180 N PRO A 82 9.370 4.405 5.551 1.00 0.00 N ATOM 1181 CA PRO A 82 10.309 4.111 4.463 1.00 0.00 C ATOM 1182 C PRO A 82 11.688 3.721 4.989 1.00 0.00 C ATOM 1183 O PRO A 82 12.339 4.498 5.693 1.00 0.00 O ATOM 1184 CB PRO A 82 10.384 5.429 3.676 1.00 0.00 C ATOM 1185 CG PRO A 82 9.756 6.452 4.563 1.00 0.00 C ATOM 1186 CD PRO A 82 8.734 5.712 5.370 1.00 0.00 C ATOM 0 HA PRO A 82 9.980 3.266 3.858 1.00 0.00 H new ATOM 0 HB2 PRO A 82 11.416 5.690 3.443 1.00 0.00 H new ATOM 0 HB3 PRO A 82 9.853 5.352 2.727 1.00 0.00 H new ATOM 0 HG2 PRO A 82 10.499 6.922 5.207 1.00 0.00 H new ATOM 0 HG3 PRO A 82 9.293 7.247 3.978 1.00 0.00 H new ATOM 0 HD2 PRO A 82 8.534 6.203 6.322 1.00 0.00 H new ATOM 0 HD3 PRO A 82 7.781 5.632 4.846 1.00 0.00 H new ATOM 1194 N PRO A 83 12.123 2.486 4.713 1.00 0.00 N ATOM 1195 CA PRO A 83 13.392 1.980 5.214 1.00 0.00 C ATOM 1196 C PRO A 83 14.583 2.497 4.410 1.00 0.00 C ATOM 1197 O PRO A 83 15.427 3.228 4.937 1.00 0.00 O ATOM 1198 CB PRO A 83 13.276 0.458 5.093 1.00 0.00 C ATOM 1199 CG PRO A 83 12.017 0.167 4.335 1.00 0.00 C ATOM 1200 CD PRO A 83 11.381 1.475 3.947 1.00 0.00 C ATOM 0 HA PRO A 83 13.573 2.311 6.237 1.00 0.00 H new ATOM 0 HB2 PRO A 83 14.141 0.047 4.573 1.00 0.00 H new ATOM 0 HB3 PRO A 83 13.247 -0.005 6.079 1.00 0.00 H new ATOM 0 HG2 PRO A 83 12.238 -0.425 3.447 1.00 0.00 H new ATOM 0 HG3 PRO A 83 11.333 -0.420 4.948 1.00 0.00 H new ATOM 0 HD2 PRO A 83 11.460 1.652 2.874 1.00 0.00 H new ATOM 0 HD3 PRO A 83 10.320 1.489 4.195 1.00 0.00 H new ATOM 1208 N SER A 84 14.656 2.121 3.141 1.00 0.00 N ATOM 1209 CA SER A 84 15.751 2.560 2.292 1.00 0.00 C ATOM 1210 C SER A 84 15.360 3.798 1.484 1.00 0.00 C ATOM 1211 O SER A 84 14.181 4.141 1.373 1.00 0.00 O ATOM 1212 CB SER A 84 16.192 1.424 1.369 1.00 0.00 C ATOM 1213 OG SER A 84 16.852 0.402 2.101 1.00 0.00 O ATOM 0 H SER A 84 13.975 1.517 2.681 1.00 0.00 H new ATOM 0 HA SER A 84 16.591 2.834 2.931 1.00 0.00 H new ATOM 0 HB2 SER A 84 15.324 1.008 0.858 1.00 0.00 H new ATOM 0 HB3 SER A 84 16.858 1.814 0.599 1.00 0.00 H new ATOM 0 HG SER A 84 17.123 -0.315 1.490 1.00 0.00 H new ATOM 1219 N GLN A 85 16.373 4.514 1.010 1.00 0.00 N ATOM 1220 CA GLN A 85 16.184 5.783 0.310 1.00 0.00 C ATOM 1221 C GLN A 85 15.459 5.591 -1.018 1.00 0.00 C ATOM 1222 O GLN A 85 14.806 6.509 -1.518 1.00 0.00 O ATOM 1223 CB GLN A 85 17.540 6.454 0.061 1.00 0.00 C ATOM 1224 CG GLN A 85 18.462 6.459 1.273 1.00 0.00 C ATOM 1225 CD GLN A 85 19.431 5.287 1.285 1.00 0.00 C ATOM 1226 OE1 GLN A 85 19.023 4.132 1.419 1.00 0.00 O ATOM 1227 NE2 GLN A 85 20.718 5.569 1.153 1.00 0.00 N ATOM 0 H GLN A 85 17.349 4.233 1.099 1.00 0.00 H new ATOM 0 HA GLN A 85 15.568 6.420 0.944 1.00 0.00 H new ATOM 0 HB2 GLN A 85 18.041 5.943 -0.761 1.00 0.00 H new ATOM 0 HB3 GLN A 85 17.371 7.482 -0.258 1.00 0.00 H new ATOM 0 HG2 GLN A 85 19.027 7.391 1.289 1.00 0.00 H new ATOM 0 HG3 GLN A 85 17.860 6.435 2.181 1.00 0.00 H new ATOM 0 HE21 GLN A 85 21.019 6.537 1.044 1.00 0.00 H new ATOM 0 HE22 GLN A 85 21.408 4.818 1.160 1.00 0.00 H new ATOM 1236 N ALA A 86 15.616 4.414 -1.609 1.00 0.00 N ATOM 1237 CA ALA A 86 15.022 4.121 -2.907 1.00 0.00 C ATOM 1238 C ALA A 86 13.500 4.213 -2.861 1.00 0.00 C ATOM 1239 O ALA A 86 12.887 4.880 -3.690 1.00 0.00 O ATOM 1240 CB ALA A 86 15.455 2.748 -3.389 1.00 0.00 C ATOM 0 H ALA A 86 16.152 3.644 -1.209 1.00 0.00 H new ATOM 0 HA ALA A 86 15.378 4.872 -3.612 1.00 0.00 H new ATOM 0 HB1 ALA A 86 15.003 2.544 -4.360 1.00 0.00 H new ATOM 0 HB2 ALA A 86 16.541 2.720 -3.481 1.00 0.00 H new ATOM 0 HB3 ALA A 86 15.133 1.992 -2.673 1.00 0.00 H new ATOM 1246 N VAL A 87 12.890 3.540 -1.895 1.00 0.00 N ATOM 1247 CA VAL A 87 11.439 3.553 -1.771 1.00 0.00 C ATOM 1248 C VAL A 87 10.942 4.884 -1.205 1.00 0.00 C ATOM 1249 O VAL A 87 9.797 5.277 -1.441 1.00 0.00 O ATOM 1250 CB VAL A 87 10.930 2.380 -0.905 1.00 0.00 C ATOM 1251 CG1 VAL A 87 11.120 2.655 0.579 1.00 0.00 C ATOM 1252 CG2 VAL A 87 9.474 2.088 -1.218 1.00 0.00 C ATOM 0 H VAL A 87 13.373 2.982 -1.191 1.00 0.00 H new ATOM 0 HA VAL A 87 11.033 3.432 -2.775 1.00 0.00 H new ATOM 0 HB VAL A 87 11.524 1.500 -1.150 1.00 0.00 H new ATOM 0 HG11 VAL A 87 10.750 1.808 1.156 1.00 0.00 H new ATOM 0 HG12 VAL A 87 12.179 2.803 0.789 1.00 0.00 H new ATOM 0 HG13 VAL A 87 10.567 3.552 0.857 1.00 0.00 H new ATOM 0 HG21 VAL A 87 9.128 1.259 -0.600 1.00 0.00 H new ATOM 0 HG22 VAL A 87 8.872 2.972 -1.008 1.00 0.00 H new ATOM 0 HG23 VAL A 87 9.374 1.823 -2.270 1.00 0.00 H new ATOM 1262 N TYR A 88 11.822 5.593 -0.502 1.00 0.00 N ATOM 1263 CA TYR A 88 11.496 6.901 0.057 1.00 0.00 C ATOM 1264 C TYR A 88 11.160 7.893 -1.054 1.00 0.00 C ATOM 1265 O TYR A 88 10.304 8.762 -0.897 1.00 0.00 O ATOM 1266 CB TYR A 88 12.670 7.423 0.894 1.00 0.00 C ATOM 1267 CG TYR A 88 12.446 8.807 1.462 1.00 0.00 C ATOM 1268 CD1 TYR A 88 11.652 8.993 2.586 1.00 0.00 C ATOM 1269 CD2 TYR A 88 13.023 9.927 0.873 1.00 0.00 C ATOM 1270 CE1 TYR A 88 11.437 10.252 3.105 1.00 0.00 C ATOM 1271 CE2 TYR A 88 12.812 11.191 1.389 1.00 0.00 C ATOM 1272 CZ TYR A 88 12.018 11.348 2.503 1.00 0.00 C ATOM 1273 OH TYR A 88 11.802 12.603 3.020 1.00 0.00 O ATOM 0 H TYR A 88 12.773 5.280 -0.305 1.00 0.00 H new ATOM 0 HA TYR A 88 10.622 6.794 0.699 1.00 0.00 H new ATOM 0 HB2 TYR A 88 12.856 6.729 1.714 1.00 0.00 H new ATOM 0 HB3 TYR A 88 13.568 7.435 0.276 1.00 0.00 H new ATOM 0 HD1 TYR A 88 11.195 8.137 3.061 1.00 0.00 H new ATOM 0 HD2 TYR A 88 13.646 9.807 -0.001 1.00 0.00 H new ATOM 0 HE1 TYR A 88 10.816 10.379 3.979 1.00 0.00 H new ATOM 0 HE2 TYR A 88 13.267 12.051 0.921 1.00 0.00 H new ATOM 0 HH TYR A 88 12.282 13.266 2.481 1.00 0.00 H new ATOM 1283 N GLU A 89 11.854 7.767 -2.171 1.00 0.00 N ATOM 1284 CA GLU A 89 11.647 8.662 -3.295 1.00 0.00 C ATOM 1285 C GLU A 89 10.393 8.274 -4.087 1.00 0.00 C ATOM 1286 O GLU A 89 9.882 9.060 -4.886 1.00 0.00 O ATOM 1287 CB GLU A 89 12.899 8.675 -4.188 1.00 0.00 C ATOM 1288 CG GLU A 89 12.747 7.965 -5.524 1.00 0.00 C ATOM 1289 CD GLU A 89 13.401 8.732 -6.653 1.00 0.00 C ATOM 1290 OE1 GLU A 89 13.146 9.948 -6.776 1.00 0.00 O ATOM 1291 OE2 GLU A 89 14.177 8.125 -7.422 1.00 0.00 O ATOM 0 H GLU A 89 12.566 7.053 -2.324 1.00 0.00 H new ATOM 0 HA GLU A 89 11.484 9.671 -2.917 1.00 0.00 H new ATOM 0 HB2 GLU A 89 13.182 9.711 -4.375 1.00 0.00 H new ATOM 0 HB3 GLU A 89 13.721 8.214 -3.641 1.00 0.00 H new ATOM 0 HG2 GLU A 89 13.189 6.971 -5.458 1.00 0.00 H new ATOM 0 HG3 GLU A 89 11.688 7.830 -5.744 1.00 0.00 H new ATOM 1298 N VAL A 90 9.928 7.046 -3.892 1.00 0.00 N ATOM 1299 CA VAL A 90 8.778 6.537 -4.630 1.00 0.00 C ATOM 1300 C VAL A 90 7.463 6.782 -3.881 1.00 0.00 C ATOM 1301 O VAL A 90 6.478 7.211 -4.479 1.00 0.00 O ATOM 1302 CB VAL A 90 8.919 5.023 -4.908 1.00 0.00 C ATOM 1303 CG1 VAL A 90 7.750 4.511 -5.738 1.00 0.00 C ATOM 1304 CG2 VAL A 90 10.234 4.729 -5.609 1.00 0.00 C ATOM 0 H VAL A 90 10.330 6.384 -3.229 1.00 0.00 H new ATOM 0 HA VAL A 90 8.752 7.082 -5.574 1.00 0.00 H new ATOM 0 HB VAL A 90 8.911 4.502 -3.950 1.00 0.00 H new ATOM 0 HG11 VAL A 90 7.873 3.443 -5.920 1.00 0.00 H new ATOM 0 HG12 VAL A 90 6.818 4.682 -5.199 1.00 0.00 H new ATOM 0 HG13 VAL A 90 7.721 5.040 -6.690 1.00 0.00 H new ATOM 0 HG21 VAL A 90 10.315 3.658 -5.796 1.00 0.00 H new ATOM 0 HG22 VAL A 90 10.269 5.267 -6.556 1.00 0.00 H new ATOM 0 HG23 VAL A 90 11.063 5.051 -4.978 1.00 0.00 H new ATOM 1314 N PHE A 91 7.410 6.351 -2.624 1.00 0.00 N ATOM 1315 CA PHE A 91 6.159 6.348 -1.856 1.00 0.00 C ATOM 1316 C PHE A 91 5.571 7.747 -1.662 1.00 0.00 C ATOM 1317 O PHE A 91 4.392 7.889 -1.335 1.00 0.00 O ATOM 1318 CB PHE A 91 6.373 5.656 -0.496 1.00 0.00 C ATOM 1319 CG PHE A 91 6.839 6.569 0.614 1.00 0.00 C ATOM 1320 CD1 PHE A 91 7.984 7.337 0.478 1.00 0.00 C ATOM 1321 CD2 PHE A 91 6.122 6.656 1.793 1.00 0.00 C ATOM 1322 CE1 PHE A 91 8.399 8.174 1.494 1.00 0.00 C ATOM 1323 CE2 PHE A 91 6.532 7.491 2.812 1.00 0.00 C ATOM 1324 CZ PHE A 91 7.671 8.251 2.661 1.00 0.00 C ATOM 0 H PHE A 91 8.218 5.998 -2.111 1.00 0.00 H new ATOM 0 HA PHE A 91 5.430 5.786 -2.440 1.00 0.00 H new ATOM 0 HB2 PHE A 91 5.437 5.186 -0.192 1.00 0.00 H new ATOM 0 HB3 PHE A 91 7.104 4.858 -0.622 1.00 0.00 H new ATOM 0 HD1 PHE A 91 8.559 7.280 -0.434 1.00 0.00 H new ATOM 0 HD2 PHE A 91 5.229 6.062 1.918 1.00 0.00 H new ATOM 0 HE1 PHE A 91 9.293 8.768 1.374 1.00 0.00 H new ATOM 0 HE2 PHE A 91 5.961 7.549 3.727 1.00 0.00 H new ATOM 0 HZ PHE A 91 7.993 8.907 3.457 1.00 0.00 H new ATOM 1334 N LYS A 92 6.392 8.773 -1.834 1.00 0.00 N ATOM 1335 CA LYS A 92 5.938 10.144 -1.632 1.00 0.00 C ATOM 1336 C LYS A 92 5.024 10.607 -2.767 1.00 0.00 C ATOM 1337 O LYS A 92 4.434 11.686 -2.695 1.00 0.00 O ATOM 1338 CB LYS A 92 7.132 11.092 -1.492 1.00 0.00 C ATOM 1339 CG LYS A 92 8.067 11.087 -2.690 1.00 0.00 C ATOM 1340 CD LYS A 92 9.023 12.266 -2.648 1.00 0.00 C ATOM 1341 CE LYS A 92 10.365 11.874 -2.054 1.00 0.00 C ATOM 1342 NZ LYS A 92 11.188 13.062 -1.716 1.00 0.00 N ATOM 0 H LYS A 92 7.370 8.685 -2.111 1.00 0.00 H new ATOM 0 HA LYS A 92 5.360 10.165 -0.708 1.00 0.00 H new ATOM 0 HB2 LYS A 92 6.762 12.106 -1.337 1.00 0.00 H new ATOM 0 HB3 LYS A 92 7.698 10.819 -0.601 1.00 0.00 H new ATOM 0 HG2 LYS A 92 8.634 10.156 -2.707 1.00 0.00 H new ATOM 0 HG3 LYS A 92 7.483 11.122 -3.610 1.00 0.00 H new ATOM 0 HD2 LYS A 92 9.169 12.653 -3.656 1.00 0.00 H new ATOM 0 HD3 LYS A 92 8.584 13.071 -2.058 1.00 0.00 H new ATOM 0 HE2 LYS A 92 10.204 11.276 -1.157 1.00 0.00 H new ATOM 0 HE3 LYS A 92 10.906 11.247 -2.762 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 12.096 12.752 -1.313 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 11.363 13.619 -2.576 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 10.683 13.648 -1.021 1.00 0.00 H new ATOM 1356 N ASN A 93 4.888 9.783 -3.804 1.00 0.00 N ATOM 1357 CA ASN A 93 4.023 10.116 -4.930 1.00 0.00 C ATOM 1358 C ASN A 93 3.691 8.879 -5.752 1.00 0.00 C ATOM 1359 O ASN A 93 3.825 8.877 -6.978 1.00 0.00 O ATOM 1360 CB ASN A 93 4.677 11.171 -5.828 1.00 0.00 C ATOM 1361 CG ASN A 93 3.662 12.123 -6.434 1.00 0.00 C ATOM 1362 OD1 ASN A 93 3.132 13.000 -5.751 1.00 0.00 O ATOM 1363 ND2 ASN A 93 3.389 11.968 -7.719 1.00 0.00 N ATOM 0 H ASN A 93 5.364 8.885 -3.887 1.00 0.00 H new ATOM 0 HA ASN A 93 3.098 10.523 -4.521 1.00 0.00 H new ATOM 0 HB2 ASN A 93 5.403 11.740 -5.247 1.00 0.00 H new ATOM 0 HB3 ASN A 93 5.227 10.674 -6.627 1.00 0.00 H new ATOM 0 HD21 ASN A 93 2.719 12.587 -8.176 1.00 0.00 H new ATOM 0 HD22 ASN A 93 3.848 11.230 -8.253 1.00 0.00 H new ATOM 1370 N ALA A 94 3.234 7.834 -5.080 1.00 0.00 N ATOM 1371 CA ALA A 94 2.861 6.606 -5.759 1.00 0.00 C ATOM 1372 C ALA A 94 1.507 6.099 -5.278 1.00 0.00 C ATOM 1373 O ALA A 94 1.398 5.539 -4.186 1.00 0.00 O ATOM 1374 CB ALA A 94 3.924 5.539 -5.552 1.00 0.00 C ATOM 0 H ALA A 94 3.113 7.813 -4.067 1.00 0.00 H new ATOM 0 HA ALA A 94 2.783 6.825 -6.824 1.00 0.00 H new ATOM 0 HB1 ALA A 94 3.628 4.626 -6.068 1.00 0.00 H new ATOM 0 HB2 ALA A 94 4.875 5.890 -5.953 1.00 0.00 H new ATOM 0 HB3 ALA A 94 4.032 5.335 -4.487 1.00 0.00 H new ATOM 1380 N PRO A 95 0.462 6.259 -6.104 1.00 0.00 N ATOM 1381 CA PRO A 95 -0.877 5.776 -5.784 1.00 0.00 C ATOM 1382 C PRO A 95 -0.954 4.261 -5.914 1.00 0.00 C ATOM 1383 O PRO A 95 -0.314 3.673 -6.789 1.00 0.00 O ATOM 1384 CB PRO A 95 -1.778 6.454 -6.830 1.00 0.00 C ATOM 1385 CG PRO A 95 -0.894 7.403 -7.576 1.00 0.00 C ATOM 1386 CD PRO A 95 0.503 6.878 -7.431 1.00 0.00 C ATOM 0 HA PRO A 95 -1.170 6.008 -4.760 1.00 0.00 H new ATOM 0 HB2 PRO A 95 -2.218 5.718 -7.503 1.00 0.00 H new ATOM 0 HB3 PRO A 95 -2.603 6.982 -6.352 1.00 0.00 H new ATOM 0 HG2 PRO A 95 -1.182 7.459 -8.626 1.00 0.00 H new ATOM 0 HG3 PRO A 95 -0.975 8.411 -7.169 1.00 0.00 H new ATOM 0 HD2 PRO A 95 0.750 6.157 -8.210 1.00 0.00 H new ATOM 0 HD3 PRO A 95 1.245 7.674 -7.487 1.00 0.00 H new ATOM 1394 N LEU A 96 -1.653 3.619 -4.994 1.00 0.00 N ATOM 1395 CA LEU A 96 -1.696 2.171 -4.972 1.00 0.00 C ATOM 1396 C LEU A 96 -2.842 1.637 -5.821 1.00 0.00 C ATOM 1397 O LEU A 96 -4.010 1.947 -5.580 1.00 0.00 O ATOM 1398 CB LEU A 96 -1.837 1.671 -3.532 1.00 0.00 C ATOM 1399 CG LEU A 96 -0.665 0.836 -3.015 1.00 0.00 C ATOM 1400 CD1 LEU A 96 0.038 1.548 -1.871 1.00 0.00 C ATOM 1401 CD2 LEU A 96 -1.146 -0.538 -2.570 1.00 0.00 C ATOM 0 H LEU A 96 -2.194 4.075 -4.259 1.00 0.00 H new ATOM 0 HA LEU A 96 -0.761 1.802 -5.394 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -1.966 2.532 -2.876 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -2.747 1.075 -3.459 1.00 0.00 H new ATOM 0 HG LEU A 96 0.049 0.707 -3.829 1.00 0.00 H new ATOM 0 HD11 LEU A 96 0.869 0.937 -1.518 1.00 0.00 H new ATOM 0 HD12 LEU A 96 0.417 2.509 -2.219 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -0.666 1.709 -1.055 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -0.299 -1.119 -2.205 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -1.880 -0.426 -1.772 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -1.604 -1.054 -3.414 1.00 0.00 H new ATOM 1413 N ASP A 97 -2.511 0.727 -6.724 1.00 0.00 N ATOM 1414 CA ASP A 97 -3.515 0.026 -7.506 1.00 0.00 C ATOM 1415 C ASP A 97 -3.859 -1.268 -6.793 1.00 0.00 C ATOM 1416 O ASP A 97 -3.103 -2.242 -6.852 1.00 0.00 O ATOM 1417 CB ASP A 97 -2.997 -0.264 -8.919 1.00 0.00 C ATOM 1418 CG ASP A 97 -4.083 -0.761 -9.858 1.00 0.00 C ATOM 1419 OD1 ASP A 97 -5.278 -0.566 -9.554 1.00 0.00 O ATOM 1420 OD2 ASP A 97 -3.741 -1.336 -10.916 1.00 0.00 O ATOM 0 H ASP A 97 -1.550 0.456 -6.933 1.00 0.00 H new ATOM 0 HA ASP A 97 -4.405 0.647 -7.602 1.00 0.00 H new ATOM 0 HB2 ASP A 97 -2.555 0.643 -9.331 1.00 0.00 H new ATOM 0 HB3 ASP A 97 -2.203 -1.009 -8.863 1.00 0.00 H new ATOM 1425 N PHE A 98 -4.906 -1.222 -5.987 1.00 0.00 N ATOM 1426 CA PHE A 98 -5.228 -2.335 -5.116 1.00 0.00 C ATOM 1427 C PHE A 98 -6.121 -3.347 -5.808 1.00 0.00 C ATOM 1428 O PHE A 98 -7.119 -2.995 -6.439 1.00 0.00 O ATOM 1429 CB PHE A 98 -5.895 -1.844 -3.831 1.00 0.00 C ATOM 1430 CG PHE A 98 -5.320 -2.456 -2.587 1.00 0.00 C ATOM 1431 CD1 PHE A 98 -5.615 -3.764 -2.240 1.00 0.00 C ATOM 1432 CD2 PHE A 98 -4.483 -1.720 -1.765 1.00 0.00 C ATOM 1433 CE1 PHE A 98 -5.085 -4.327 -1.094 1.00 0.00 C ATOM 1434 CE2 PHE A 98 -3.951 -2.278 -0.619 1.00 0.00 C ATOM 1435 CZ PHE A 98 -4.253 -3.583 -0.283 1.00 0.00 C ATOM 0 H PHE A 98 -5.544 -0.429 -5.919 1.00 0.00 H new ATOM 0 HA PHE A 98 -4.289 -2.828 -4.863 1.00 0.00 H new ATOM 0 HB2 PHE A 98 -5.798 -0.760 -3.772 1.00 0.00 H new ATOM 0 HB3 PHE A 98 -6.961 -2.066 -3.876 1.00 0.00 H new ATOM 0 HD1 PHE A 98 -6.266 -4.350 -2.871 1.00 0.00 H new ATOM 0 HD2 PHE A 98 -4.244 -0.699 -2.023 1.00 0.00 H new ATOM 0 HE1 PHE A 98 -5.322 -5.348 -0.834 1.00 0.00 H new ATOM 0 HE2 PHE A 98 -3.299 -1.694 0.014 1.00 0.00 H new ATOM 0 HZ PHE A 98 -3.839 -4.020 0.613 1.00 0.00 H new ATOM 1445 N LYS A 99 -5.802 -4.608 -5.591 1.00 0.00 N ATOM 1446 CA LYS A 99 -6.612 -5.706 -6.077 1.00 0.00 C ATOM 1447 C LYS A 99 -6.715 -6.759 -4.986 1.00 0.00 C ATOM 1448 O LYS A 99 -5.697 -7.306 -4.557 1.00 0.00 O ATOM 1449 CB LYS A 99 -6.006 -6.300 -7.348 1.00 0.00 C ATOM 1450 CG LYS A 99 -6.475 -5.609 -8.615 1.00 0.00 C ATOM 1451 CD LYS A 99 -5.329 -5.391 -9.589 1.00 0.00 C ATOM 1452 CE LYS A 99 -5.570 -6.114 -10.904 1.00 0.00 C ATOM 1453 NZ LYS A 99 -5.482 -7.590 -10.745 1.00 0.00 N ATOM 0 H LYS A 99 -4.973 -4.900 -5.072 1.00 0.00 H new ATOM 0 HA LYS A 99 -7.609 -5.343 -6.326 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -4.919 -6.236 -7.288 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -6.261 -7.358 -7.404 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -7.250 -6.209 -9.092 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -6.926 -4.649 -8.362 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -5.207 -4.324 -9.776 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -4.399 -5.745 -9.143 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -6.554 -5.848 -11.291 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -4.838 -5.783 -11.641 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -5.652 -8.049 -11.663 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -4.535 -7.846 -10.400 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -6.198 -7.909 -10.061 1.00 0.00 H new ATOM 1467 N PRO A 100 -7.924 -6.941 -4.434 1.00 0.00 N ATOM 1468 CA PRO A 100 -8.166 -7.810 -3.275 1.00 0.00 C ATOM 1469 C PRO A 100 -7.479 -9.170 -3.372 1.00 0.00 C ATOM 1470 O PRO A 100 -7.546 -9.849 -4.401 1.00 0.00 O ATOM 1471 CB PRO A 100 -9.679 -7.968 -3.296 1.00 0.00 C ATOM 1472 CG PRO A 100 -10.172 -6.665 -3.817 1.00 0.00 C ATOM 1473 CD PRO A 100 -9.142 -6.196 -4.811 1.00 0.00 C ATOM 0 HA PRO A 100 -7.763 -7.383 -2.357 1.00 0.00 H new ATOM 0 HB2 PRO A 100 -9.985 -8.795 -3.937 1.00 0.00 H new ATOM 0 HB3 PRO A 100 -10.072 -8.174 -2.300 1.00 0.00 H new ATOM 0 HG2 PRO A 100 -11.147 -6.778 -4.290 1.00 0.00 H new ATOM 0 HG3 PRO A 100 -10.292 -5.943 -3.010 1.00 0.00 H new ATOM 0 HD2 PRO A 100 -9.445 -6.416 -5.835 1.00 0.00 H new ATOM 0 HD3 PRO A 100 -8.987 -5.119 -4.749 1.00 0.00 H new ATOM 1481 N HIS A 101 -6.735 -9.502 -2.326 1.00 0.00 N ATOM 1482 CA HIS A 101 -5.927 -10.710 -2.290 1.00 0.00 C ATOM 1483 C HIS A 101 -6.774 -11.963 -2.059 1.00 0.00 C ATOM 1484 O HIS A 101 -6.749 -12.531 -0.963 1.00 0.00 O ATOM 1485 CB HIS A 101 -4.896 -10.584 -1.167 1.00 0.00 C ATOM 1486 CG HIS A 101 -3.556 -10.126 -1.631 1.00 0.00 C ATOM 1487 ND1 HIS A 101 -2.990 -8.941 -1.225 1.00 0.00 N ATOM 1488 CD2 HIS A 101 -2.666 -10.701 -2.466 1.00 0.00 C ATOM 1489 CE1 HIS A 101 -1.810 -8.806 -1.789 1.00 0.00 C ATOM 1490 NE2 HIS A 101 -1.587 -9.860 -2.551 1.00 0.00 N ATOM 0 H HIS A 101 -6.676 -8.939 -1.477 1.00 0.00 H new ATOM 0 HA HIS A 101 -5.437 -10.816 -3.258 1.00 0.00 H new ATOM 0 HB2 HIS A 101 -5.270 -9.885 -0.419 1.00 0.00 H new ATOM 0 HB3 HIS A 101 -4.789 -11.550 -0.674 1.00 0.00 H new ATOM 0 HD1 HIS A 101 -3.418 -8.271 -0.586 1.00 0.00 H new ATOM 0 HD2 HIS A 101 -2.782 -11.648 -2.973 1.00 0.00 H new ATOM 0 HE1 HIS A 101 -1.137 -7.973 -1.652 1.00 0.00 H new ATOM 1499 N HIS A 102 -7.415 -12.451 -3.124 1.00 0.00 N ATOM 1500 CA HIS A 102 -8.159 -13.713 -3.100 1.00 0.00 C ATOM 1501 C HIS A 102 -8.992 -13.846 -4.365 1.00 0.00 C ATOM 1502 O HIS A 102 -10.044 -14.522 -4.324 1.00 0.00 O ATOM 1503 CB HIS A 102 -9.072 -13.838 -1.874 1.00 0.00 C ATOM 1504 CG HIS A 102 -8.863 -15.115 -1.122 1.00 0.00 C ATOM 1505 ND1 HIS A 102 -8.837 -16.351 -1.730 1.00 0.00 N ATOM 1506 CD2 HIS A 102 -8.646 -15.344 0.195 1.00 0.00 C ATOM 1507 CE1 HIS A 102 -8.611 -17.281 -0.823 1.00 0.00 C ATOM 1508 NE2 HIS A 102 -8.491 -16.697 0.353 1.00 0.00 N ATOM 0 H HIS A 102 -7.433 -11.981 -4.029 1.00 0.00 H new ATOM 0 HA HIS A 102 -7.423 -14.515 -3.043 1.00 0.00 H new ATOM 0 HB2 HIS A 102 -8.893 -12.995 -1.206 1.00 0.00 H new ATOM 0 HB3 HIS A 102 -10.112 -13.776 -2.194 1.00 0.00 H new ATOM 0 HD2 HIS A 102 -8.603 -14.599 0.976 1.00 0.00 H new ATOM 0 HE1 HIS A 102 -8.537 -18.342 -1.012 1.00 0.00 H new ATOM 0 HE2 HIS A 102 -8.312 -17.174 1.237 1.00 0.00 H new TER 1517 HIS A 102