USER MOD reduce.3.24.130724 H: found=0, std=0, add=848, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 849 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 98 TYR OH : rot 180:sc= 0.237 USER MOD Set 1.2: A 102 GLN : amide:sc= 0.488 X(o=0.73,f=0.58) USER MOD Set 2.1: A 97 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 100 GLN :FLIP amide:sc=-0.00489 F(o=-1.3!,f=-0.0049) USER MOD Set 3.1: A 83 SER OG : rot 180:sc= 0 USER MOD Set 3.2: A 85 ASN : amide:sc= 0 K(o=0,f=-0.53) USER MOD Set 4.1: A 7 LYS NZ :NH3+ 177:sc= 0.649 (180deg=-0.2) USER MOD Set 4.2: A 8 SER OG : rot -170:sc= 0.699 USER MOD Single : A 3 ASN : amide:sc= 0 X(o=0,f=-0.44) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 MET CE :methyl -160:sc= -0.127 (180deg=-0.581) USER MOD Single : A 11 THR OG1 : rot -42:sc= 0.663 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 MET CE :methyl -158:sc= -0.126 (180deg=-0.719) USER MOD Single : A 24 ASN : amide:sc= -2.06! C(o=-2.1!,f=-4.7!) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 SER OG : rot -34:sc= 0.267 USER MOD Single : A 28 SER OG : rot -77:sc= 0.326 USER MOD Single : A 31 HIS : +bothHN:sc= 0.788 K(o=0.79,f=-8.2!) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 33 MET CE :methyl 129:sc= -0.319 (180deg=-1.12) USER MOD Single : A 36 SER OG : rot 180:sc= 0.0918 USER MOD Single : A 37 THR OG1 : rot -160:sc= -0.838 USER MOD Single : A 39 LYS NZ :NH3+ 144:sc= 1.54 (180deg=1.1) USER MOD Single : A 43 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.000764) USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 HIS : +bothHN:sc= -0.49! C(o=-0.49!,f=-6.5!) USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 63 GLN :FLIP amide:sc= 0 F(o=-0.96,f=0) USER MOD Single : A 67 ASN : amide:sc= -2.65! C(o=-2.6!,f=-5.9!) USER MOD Single : A 71 THR OG1 : rot 180:sc= -0.0135 USER MOD Single : A 72 LYS NZ :NH3+ -167:sc= -0.0108 (180deg=-0.162) USER MOD Single : A 73 LYS NZ :NH3+ 161:sc= 1.24 (180deg=0.372) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 LYS NZ :NH3+ -121:sc= 1.26 (180deg=0.234) USER MOD Single : A 91 ASN : amide:sc= -0.533 X(o=-0.53,f=-0.56) USER MOD Single : A 94 TYR OH : rot 180:sc= -0.146 USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 99 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 104 LYS NZ :NH3+ -128:sc= 0.0164 (180deg=-0.297) USER MOD Single : A 110 HIS : no HE2:sc= -0.399 K(o=-0.4,f=-2.1!) USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 2 22.300 5.408 -17.480 1.00 0.00 N ATOM 2 CA VAL A 2 23.443 6.311 -17.399 1.00 0.00 C ATOM 3 C VAL A 2 24.700 5.570 -16.957 1.00 0.00 C ATOM 4 O VAL A 2 25.778 6.163 -16.868 1.00 0.00 O ATOM 5 CB VAL A 2 23.178 7.486 -16.431 1.00 0.00 C ATOM 6 CG1 VAL A 2 22.049 8.363 -16.950 1.00 0.00 C ATOM 7 CG2 VAL A 2 22.865 6.980 -15.028 1.00 0.00 C ATOM 0 HA VAL A 2 23.595 6.712 -18.401 1.00 0.00 H new ATOM 0 HB VAL A 2 24.085 8.088 -16.376 1.00 0.00 H new ATOM 0 HG11 VAL A 2 21.877 9.185 -16.255 1.00 0.00 H new ATOM 0 HG12 VAL A 2 22.320 8.765 -17.927 1.00 0.00 H new ATOM 0 HG13 VAL A 2 21.140 7.769 -17.041 1.00 0.00 H new ATOM 0 HG21 VAL A 2 22.683 7.828 -14.368 1.00 0.00 H new ATOM 0 HG22 VAL A 2 21.978 6.347 -15.059 1.00 0.00 H new ATOM 0 HG23 VAL A 2 23.710 6.403 -14.652 1.00 0.00 H new ATOM 17 N ASN A 3 24.541 4.273 -16.668 1.00 0.00 N ATOM 18 CA ASN A 3 25.647 3.388 -16.267 1.00 0.00 C ATOM 19 C ASN A 3 26.119 3.679 -14.846 1.00 0.00 C ATOM 20 O ASN A 3 26.073 2.806 -13.980 1.00 0.00 O ATOM 21 CB ASN A 3 26.825 3.483 -17.248 1.00 0.00 C ATOM 22 CG ASN A 3 27.993 2.595 -16.845 1.00 0.00 C ATOM 23 OD1 ASN A 3 28.862 3.002 -16.075 1.00 0.00 O ATOM 24 ND2 ASN A 3 28.033 1.386 -17.378 1.00 0.00 N ATOM 0 H ASN A 3 23.637 3.803 -16.705 1.00 0.00 H new ATOM 0 HA ASN A 3 25.259 2.370 -16.291 1.00 0.00 H new ATOM 0 HB2 ASN A 3 26.486 3.202 -18.245 1.00 0.00 H new ATOM 0 HB3 ASN A 3 27.163 4.518 -17.306 1.00 0.00 H new ATOM 0 HD21 ASN A 3 28.803 0.755 -17.155 1.00 0.00 H new ATOM 0 HD22 ASN A 3 27.294 1.084 -18.013 1.00 0.00 H new ATOM 31 N PHE A 4 26.556 4.903 -14.613 1.00 0.00 N ATOM 32 CA PHE A 4 27.127 5.278 -13.332 1.00 0.00 C ATOM 33 C PHE A 4 26.253 6.312 -12.629 1.00 0.00 C ATOM 34 O PHE A 4 26.155 7.464 -13.057 1.00 0.00 O ATOM 35 CB PHE A 4 28.545 5.819 -13.521 1.00 0.00 C ATOM 36 CG PHE A 4 29.282 6.052 -12.233 1.00 0.00 C ATOM 37 CD1 PHE A 4 29.503 5.008 -11.348 1.00 0.00 C ATOM 38 CD2 PHE A 4 29.759 7.311 -11.910 1.00 0.00 C ATOM 39 CE1 PHE A 4 30.185 5.216 -10.165 1.00 0.00 C ATOM 40 CE2 PHE A 4 30.442 7.523 -10.726 1.00 0.00 C ATOM 41 CZ PHE A 4 30.654 6.474 -9.853 1.00 0.00 C ATOM 0 H PHE A 4 26.526 5.658 -15.298 1.00 0.00 H new ATOM 0 HA PHE A 4 27.172 4.388 -12.704 1.00 0.00 H new ATOM 0 HB2 PHE A 4 29.113 5.117 -14.132 1.00 0.00 H new ATOM 0 HB3 PHE A 4 28.495 6.756 -14.075 1.00 0.00 H new ATOM 0 HD1 PHE A 4 29.137 4.020 -11.586 1.00 0.00 H new ATOM 0 HD2 PHE A 4 29.596 8.135 -12.589 1.00 0.00 H new ATOM 0 HE1 PHE A 4 30.351 4.394 -9.485 1.00 0.00 H new ATOM 0 HE2 PHE A 4 30.810 8.509 -10.484 1.00 0.00 H new ATOM 0 HZ PHE A 4 31.186 6.639 -8.928 1.00 0.00 H new ATOM 51 N LYS A 5 25.617 5.875 -11.559 1.00 0.00 N ATOM 52 CA LYS A 5 24.749 6.718 -10.757 1.00 0.00 C ATOM 53 C LYS A 5 24.761 6.173 -9.334 1.00 0.00 C ATOM 54 O LYS A 5 25.234 5.057 -9.121 1.00 0.00 O ATOM 55 CB LYS A 5 23.324 6.710 -11.339 1.00 0.00 C ATOM 56 CG LYS A 5 22.340 7.640 -10.641 1.00 0.00 C ATOM 57 CD LYS A 5 22.740 9.101 -10.777 1.00 0.00 C ATOM 58 CE LYS A 5 21.721 10.022 -10.122 1.00 0.00 C ATOM 59 NZ LYS A 5 22.151 11.445 -10.156 1.00 0.00 N ATOM 0 H LYS A 5 25.688 4.916 -11.218 1.00 0.00 H new ATOM 0 HA LYS A 5 25.099 7.750 -10.761 1.00 0.00 H new ATOM 0 HB2 LYS A 5 23.376 6.985 -12.393 1.00 0.00 H new ATOM 0 HB3 LYS A 5 22.935 5.693 -11.294 1.00 0.00 H new ATOM 0 HG2 LYS A 5 21.345 7.496 -11.062 1.00 0.00 H new ATOM 0 HG3 LYS A 5 22.280 7.378 -9.585 1.00 0.00 H new ATOM 0 HD2 LYS A 5 23.718 9.256 -10.321 1.00 0.00 H new ATOM 0 HD3 LYS A 5 22.837 9.356 -11.832 1.00 0.00 H new ATOM 0 HE2 LYS A 5 20.762 9.921 -10.630 1.00 0.00 H new ATOM 0 HE3 LYS A 5 21.567 9.715 -9.088 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 21.428 12.037 -9.700 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 23.053 11.547 -9.649 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 22.273 11.747 -11.144 1.00 0.00 H new ATOM 73 N ASP A 6 24.276 6.955 -8.374 1.00 0.00 N ATOM 74 CA ASP A 6 24.191 6.508 -6.986 1.00 0.00 C ATOM 75 C ASP A 6 23.441 5.185 -6.894 1.00 0.00 C ATOM 76 O ASP A 6 22.220 5.131 -7.060 1.00 0.00 O ATOM 77 CB ASP A 6 23.517 7.570 -6.113 1.00 0.00 C ATOM 78 CG ASP A 6 24.381 8.800 -5.927 1.00 0.00 C ATOM 79 OD1 ASP A 6 24.335 9.706 -6.786 1.00 0.00 O ATOM 80 OD2 ASP A 6 25.116 8.870 -4.923 1.00 0.00 O ATOM 0 H ASP A 6 23.935 7.903 -8.532 1.00 0.00 H new ATOM 0 HA ASP A 6 25.205 6.356 -6.615 1.00 0.00 H new ATOM 0 HB2 ASP A 6 22.569 7.861 -6.566 1.00 0.00 H new ATOM 0 HB3 ASP A 6 23.286 7.141 -5.138 1.00 0.00 H new ATOM 85 N LYS A 7 24.189 4.121 -6.643 1.00 0.00 N ATOM 86 CA LYS A 7 23.652 2.771 -6.677 1.00 0.00 C ATOM 87 C LYS A 7 23.089 2.368 -5.321 1.00 0.00 C ATOM 88 O LYS A 7 23.664 2.697 -4.282 1.00 0.00 O ATOM 89 CB LYS A 7 24.751 1.792 -7.092 1.00 0.00 C ATOM 90 CG LYS A 7 24.259 0.372 -7.332 1.00 0.00 C ATOM 91 CD LYS A 7 25.423 -0.589 -7.508 1.00 0.00 C ATOM 92 CE LYS A 7 26.188 -0.780 -6.207 1.00 0.00 C ATOM 93 NZ LYS A 7 25.371 -1.471 -5.172 1.00 0.00 N ATOM 0 H LYS A 7 25.181 4.170 -6.411 1.00 0.00 H new ATOM 0 HA LYS A 7 22.840 2.744 -7.403 1.00 0.00 H new ATOM 0 HB2 LYS A 7 25.226 2.159 -8.002 1.00 0.00 H new ATOM 0 HB3 LYS A 7 25.518 1.774 -6.318 1.00 0.00 H new ATOM 0 HG2 LYS A 7 23.642 0.051 -6.493 1.00 0.00 H new ATOM 0 HG3 LYS A 7 23.627 0.348 -8.219 1.00 0.00 H new ATOM 0 HD2 LYS A 7 25.052 -1.552 -7.858 1.00 0.00 H new ATOM 0 HD3 LYS A 7 26.097 -0.209 -8.276 1.00 0.00 H new ATOM 0 HE2 LYS A 7 27.092 -1.358 -6.400 1.00 0.00 H new ATOM 0 HE3 LYS A 7 26.506 0.191 -5.828 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 25.948 -1.625 -4.320 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 24.547 -0.884 -4.931 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 25.046 -2.388 -5.541 1.00 0.00 H new ATOM 107 N SER A 8 21.971 1.643 -5.356 1.00 0.00 N ATOM 108 CA SER A 8 21.317 1.127 -4.157 1.00 0.00 C ATOM 109 C SER A 8 20.776 2.258 -3.286 1.00 0.00 C ATOM 110 O SER A 8 21.515 2.929 -2.566 1.00 0.00 O ATOM 111 CB SER A 8 22.272 0.237 -3.360 1.00 0.00 C ATOM 112 OG SER A 8 22.793 -0.807 -4.176 1.00 0.00 O ATOM 0 H SER A 8 21.492 1.397 -6.222 1.00 0.00 H new ATOM 0 HA SER A 8 20.469 0.522 -4.476 1.00 0.00 H new ATOM 0 HB2 SER A 8 23.091 0.838 -2.964 1.00 0.00 H new ATOM 0 HB3 SER A 8 21.749 -0.191 -2.505 1.00 0.00 H new ATOM 0 HG SER A 8 23.272 -1.452 -3.615 1.00 0.00 H new ATOM 118 N MET A 9 19.473 2.459 -3.366 1.00 0.00 N ATOM 119 CA MET A 9 18.813 3.535 -2.647 1.00 0.00 C ATOM 120 C MET A 9 17.506 3.029 -2.053 1.00 0.00 C ATOM 121 O MET A 9 16.661 2.501 -2.776 1.00 0.00 O ATOM 122 CB MET A 9 18.537 4.727 -3.575 1.00 0.00 C ATOM 123 CG MET A 9 19.792 5.427 -4.081 1.00 0.00 C ATOM 124 SD MET A 9 19.429 6.827 -5.161 1.00 0.00 S ATOM 125 CE MET A 9 18.602 6.005 -6.522 1.00 0.00 C ATOM 0 H MET A 9 18.845 1.885 -3.928 1.00 0.00 H new ATOM 0 HA MET A 9 19.472 3.870 -1.846 1.00 0.00 H new ATOM 0 HB2 MET A 9 17.958 4.381 -4.431 1.00 0.00 H new ATOM 0 HB3 MET A 9 17.919 5.451 -3.044 1.00 0.00 H new ATOM 0 HG2 MET A 9 20.377 5.774 -3.229 1.00 0.00 H new ATOM 0 HG3 MET A 9 20.410 4.709 -4.621 1.00 0.00 H new ATOM 0 HE1 MET A 9 18.632 6.643 -7.405 1.00 0.00 H new ATOM 0 HE2 MET A 9 19.105 5.063 -6.738 1.00 0.00 H new ATOM 0 HE3 MET A 9 17.564 5.808 -6.252 1.00 0.00 H new ATOM 135 N PRO A 10 17.306 3.206 -0.733 1.00 0.00 N ATOM 136 CA PRO A 10 16.103 2.736 -0.031 1.00 0.00 C ATOM 137 C PRO A 10 14.854 3.551 -0.381 1.00 0.00 C ATOM 138 O PRO A 10 13.920 3.654 0.416 1.00 0.00 O ATOM 139 CB PRO A 10 16.445 2.918 1.456 1.00 0.00 C ATOM 140 CG PRO A 10 17.902 3.236 1.504 1.00 0.00 C ATOM 141 CD PRO A 10 18.239 3.867 0.186 1.00 0.00 C ATOM 0 HA PRO A 10 15.864 1.709 -0.308 1.00 0.00 H new ATOM 0 HB2 PRO A 10 15.855 3.721 1.897 1.00 0.00 H new ATOM 0 HB3 PRO A 10 16.224 2.013 2.021 1.00 0.00 H new ATOM 0 HG2 PRO A 10 18.125 3.914 2.328 1.00 0.00 H new ATOM 0 HG3 PRO A 10 18.492 2.334 1.665 1.00 0.00 H new ATOM 0 HD2 PRO A 10 18.093 4.947 0.205 1.00 0.00 H new ATOM 0 HD3 PRO A 10 19.277 3.691 -0.094 1.00 0.00 H new ATOM 149 N THR A 11 14.823 4.091 -1.590 1.00 0.00 N ATOM 150 CA THR A 11 13.715 4.917 -2.040 1.00 0.00 C ATOM 151 C THR A 11 12.525 4.046 -2.446 1.00 0.00 C ATOM 152 O THR A 11 11.474 4.560 -2.832 1.00 0.00 O ATOM 153 CB THR A 11 14.129 5.820 -3.225 1.00 0.00 C ATOM 154 OG1 THR A 11 13.042 6.679 -3.596 1.00 0.00 O ATOM 155 CG2 THR A 11 14.555 4.989 -4.427 1.00 0.00 C ATOM 0 H THR A 11 15.562 3.969 -2.283 1.00 0.00 H new ATOM 0 HA THR A 11 13.424 5.556 -1.206 1.00 0.00 H new ATOM 0 HB THR A 11 14.978 6.424 -2.904 1.00 0.00 H new ATOM 0 HG1 THR A 11 12.205 6.170 -3.586 1.00 0.00 H new ATOM 0 HG21 THR A 11 14.840 5.651 -5.244 1.00 0.00 H new ATOM 0 HG22 THR A 11 15.404 4.363 -4.154 1.00 0.00 H new ATOM 0 HG23 THR A 11 13.726 4.357 -4.745 1.00 0.00 H new ATOM 163 N ALA A 12 12.694 2.729 -2.351 1.00 0.00 N ATOM 164 CA ALA A 12 11.619 1.791 -2.646 1.00 0.00 C ATOM 165 C ALA A 12 10.437 2.033 -1.714 1.00 0.00 C ATOM 166 O ALA A 12 9.280 1.962 -2.128 1.00 0.00 O ATOM 167 CB ALA A 12 12.110 0.356 -2.517 1.00 0.00 C ATOM 0 H ALA A 12 13.570 2.288 -2.071 1.00 0.00 H new ATOM 0 HA ALA A 12 11.293 1.951 -3.674 1.00 0.00 H new ATOM 0 HB1 ALA A 12 11.293 -0.330 -2.741 1.00 0.00 H new ATOM 0 HB2 ALA A 12 12.928 0.187 -3.217 1.00 0.00 H new ATOM 0 HB3 ALA A 12 12.461 0.182 -1.500 1.00 0.00 H new ATOM 173 N ILE A 13 10.748 2.346 -0.460 1.00 0.00 N ATOM 174 CA ILE A 13 9.728 2.648 0.538 1.00 0.00 C ATOM 175 C ILE A 13 8.953 3.899 0.134 1.00 0.00 C ATOM 176 O ILE A 13 7.721 3.919 0.146 1.00 0.00 O ATOM 177 CB ILE A 13 10.363 2.875 1.927 1.00 0.00 C ATOM 178 CG1 ILE A 13 11.254 1.688 2.303 1.00 0.00 C ATOM 179 CG2 ILE A 13 9.282 3.086 2.980 1.00 0.00 C ATOM 180 CD1 ILE A 13 12.067 1.906 3.559 1.00 0.00 C ATOM 0 H ILE A 13 11.704 2.397 -0.109 1.00 0.00 H new ATOM 0 HA ILE A 13 9.051 1.795 0.593 1.00 0.00 H new ATOM 0 HB ILE A 13 10.980 3.773 1.885 1.00 0.00 H new ATOM 0 HG12 ILE A 13 10.629 0.805 2.435 1.00 0.00 H new ATOM 0 HG13 ILE A 13 11.931 1.478 1.475 1.00 0.00 H new ATOM 0 HG21 ILE A 13 9.748 3.244 3.953 1.00 0.00 H new ATOM 0 HG22 ILE A 13 8.684 3.959 2.718 1.00 0.00 H new ATOM 0 HG23 ILE A 13 8.640 2.206 3.024 1.00 0.00 H new ATOM 0 HD11 ILE A 13 12.672 1.022 3.759 1.00 0.00 H new ATOM 0 HD12 ILE A 13 12.719 2.769 3.425 1.00 0.00 H new ATOM 0 HD13 ILE A 13 11.397 2.085 4.400 1.00 0.00 H new ATOM 192 N GLU A 14 9.695 4.934 -0.243 1.00 0.00 N ATOM 193 CA GLU A 14 9.109 6.200 -0.663 1.00 0.00 C ATOM 194 C GLU A 14 8.281 6.011 -1.932 1.00 0.00 C ATOM 195 O GLU A 14 7.231 6.625 -2.094 1.00 0.00 O ATOM 196 CB GLU A 14 10.211 7.236 -0.897 1.00 0.00 C ATOM 197 CG GLU A 14 9.695 8.622 -1.254 1.00 0.00 C ATOM 198 CD GLU A 14 10.816 9.618 -1.460 1.00 0.00 C ATOM 199 OE1 GLU A 14 11.340 10.144 -0.453 1.00 0.00 O ATOM 200 OE2 GLU A 14 11.183 9.876 -2.625 1.00 0.00 O ATOM 0 H GLU A 14 10.715 4.919 -0.266 1.00 0.00 H new ATOM 0 HA GLU A 14 8.450 6.559 0.128 1.00 0.00 H new ATOM 0 HB2 GLU A 14 10.823 7.308 0.002 1.00 0.00 H new ATOM 0 HB3 GLU A 14 10.861 6.885 -1.698 1.00 0.00 H new ATOM 0 HG2 GLU A 14 9.095 8.561 -2.162 1.00 0.00 H new ATOM 0 HG3 GLU A 14 9.037 8.978 -0.461 1.00 0.00 H new ATOM 207 N LYS A 15 8.757 5.144 -2.818 1.00 0.00 N ATOM 208 CA LYS A 15 8.069 4.868 -4.074 1.00 0.00 C ATOM 209 C LYS A 15 6.737 4.167 -3.825 1.00 0.00 C ATOM 210 O LYS A 15 5.712 4.546 -4.390 1.00 0.00 O ATOM 211 CB LYS A 15 8.956 4.015 -4.984 1.00 0.00 C ATOM 212 CG LYS A 15 8.338 3.713 -6.342 1.00 0.00 C ATOM 213 CD LYS A 15 8.048 4.990 -7.122 1.00 0.00 C ATOM 214 CE LYS A 15 9.315 5.780 -7.410 1.00 0.00 C ATOM 215 NZ LYS A 15 9.043 6.993 -8.225 1.00 0.00 N ATOM 0 H LYS A 15 9.621 4.618 -2.689 1.00 0.00 H new ATOM 0 HA LYS A 15 7.864 5.818 -4.567 1.00 0.00 H new ATOM 0 HB2 LYS A 15 9.906 4.529 -5.134 1.00 0.00 H new ATOM 0 HB3 LYS A 15 9.179 3.075 -4.480 1.00 0.00 H new ATOM 0 HG2 LYS A 15 9.014 3.080 -6.917 1.00 0.00 H new ATOM 0 HG3 LYS A 15 7.414 3.151 -6.205 1.00 0.00 H new ATOM 0 HD2 LYS A 15 7.556 4.738 -8.062 1.00 0.00 H new ATOM 0 HD3 LYS A 15 7.354 5.611 -6.556 1.00 0.00 H new ATOM 0 HE2 LYS A 15 9.781 6.073 -6.469 1.00 0.00 H new ATOM 0 HE3 LYS A 15 10.028 5.143 -7.934 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 9.933 7.502 -8.398 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 8.622 6.713 -9.134 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 8.383 7.614 -7.714 1.00 0.00 H new ATOM 229 N ALA A 16 6.756 3.146 -2.978 1.00 0.00 N ATOM 230 CA ALA A 16 5.539 2.426 -2.635 1.00 0.00 C ATOM 231 C ALA A 16 4.537 3.365 -1.976 1.00 0.00 C ATOM 232 O ALA A 16 3.342 3.326 -2.268 1.00 0.00 O ATOM 233 CB ALA A 16 5.857 1.259 -1.718 1.00 0.00 C ATOM 0 H ALA A 16 7.598 2.800 -2.518 1.00 0.00 H new ATOM 0 HA ALA A 16 5.095 2.035 -3.551 1.00 0.00 H new ATOM 0 HB1 ALA A 16 4.937 0.730 -1.470 1.00 0.00 H new ATOM 0 HB2 ALA A 16 6.543 0.578 -2.221 1.00 0.00 H new ATOM 0 HB3 ALA A 16 6.320 1.630 -0.804 1.00 0.00 H new ATOM 239 N LEU A 17 5.044 4.227 -1.100 1.00 0.00 N ATOM 240 CA LEU A 17 4.212 5.204 -0.416 1.00 0.00 C ATOM 241 C LEU A 17 3.667 6.228 -1.409 1.00 0.00 C ATOM 242 O LEU A 17 2.542 6.708 -1.267 1.00 0.00 O ATOM 243 CB LEU A 17 5.018 5.911 0.672 1.00 0.00 C ATOM 244 CG LEU A 17 4.189 6.727 1.662 1.00 0.00 C ATOM 245 CD1 LEU A 17 3.296 5.804 2.475 1.00 0.00 C ATOM 246 CD2 LEU A 17 5.094 7.543 2.571 1.00 0.00 C ATOM 0 H LEU A 17 6.032 4.266 -0.848 1.00 0.00 H new ATOM 0 HA LEU A 17 3.373 4.683 0.045 1.00 0.00 H new ATOM 0 HB2 LEU A 17 5.586 5.164 1.226 1.00 0.00 H new ATOM 0 HB3 LEU A 17 5.742 6.572 0.195 1.00 0.00 H new ATOM 0 HG LEU A 17 3.558 7.420 1.106 1.00 0.00 H new ATOM 0 HD11 LEU A 17 2.708 6.393 3.179 1.00 0.00 H new ATOM 0 HD12 LEU A 17 2.626 5.264 1.806 1.00 0.00 H new ATOM 0 HD13 LEU A 17 3.912 5.092 3.024 1.00 0.00 H new ATOM 0 HD21 LEU A 17 4.486 8.118 3.269 1.00 0.00 H new ATOM 0 HD22 LEU A 17 5.750 6.874 3.127 1.00 0.00 H new ATOM 0 HD23 LEU A 17 5.696 8.224 1.969 1.00 0.00 H new ATOM 258 N ASP A 18 4.476 6.545 -2.413 1.00 0.00 N ATOM 259 CA ASP A 18 4.097 7.495 -3.459 1.00 0.00 C ATOM 260 C ASP A 18 2.915 6.977 -4.269 1.00 0.00 C ATOM 261 O ASP A 18 1.993 7.729 -4.591 1.00 0.00 O ATOM 262 CB ASP A 18 5.289 7.758 -4.383 1.00 0.00 C ATOM 263 CG ASP A 18 4.942 8.654 -5.552 1.00 0.00 C ATOM 264 OD1 ASP A 18 4.771 9.872 -5.343 1.00 0.00 O ATOM 265 OD2 ASP A 18 4.847 8.147 -6.690 1.00 0.00 O ATOM 0 H ASP A 18 5.411 6.154 -2.527 1.00 0.00 H new ATOM 0 HA ASP A 18 3.798 8.427 -2.980 1.00 0.00 H new ATOM 0 HB2 ASP A 18 6.094 8.215 -3.808 1.00 0.00 H new ATOM 0 HB3 ASP A 18 5.667 6.808 -4.760 1.00 0.00 H new ATOM 270 N PHE A 19 2.949 5.689 -4.594 1.00 0.00 N ATOM 271 CA PHE A 19 1.863 5.054 -5.333 1.00 0.00 C ATOM 272 C PHE A 19 0.587 4.992 -4.503 1.00 0.00 C ATOM 273 O PHE A 19 -0.516 5.053 -5.045 1.00 0.00 O ATOM 274 CB PHE A 19 2.256 3.642 -5.768 1.00 0.00 C ATOM 275 CG PHE A 19 3.068 3.587 -7.032 1.00 0.00 C ATOM 276 CD1 PHE A 19 2.465 3.792 -8.263 1.00 0.00 C ATOM 277 CD2 PHE A 19 4.426 3.314 -6.996 1.00 0.00 C ATOM 278 CE1 PHE A 19 3.199 3.728 -9.433 1.00 0.00 C ATOM 279 CE2 PHE A 19 5.166 3.251 -8.163 1.00 0.00 C ATOM 280 CZ PHE A 19 4.553 3.458 -9.382 1.00 0.00 C ATOM 0 H PHE A 19 3.719 5.063 -4.357 1.00 0.00 H new ATOM 0 HA PHE A 19 1.674 5.664 -6.217 1.00 0.00 H new ATOM 0 HB2 PHE A 19 2.823 3.172 -4.965 1.00 0.00 H new ATOM 0 HB3 PHE A 19 1.350 3.052 -5.906 1.00 0.00 H new ATOM 0 HD1 PHE A 19 1.407 4.005 -8.309 1.00 0.00 H new ATOM 0 HD2 PHE A 19 4.912 3.149 -6.046 1.00 0.00 H new ATOM 0 HE1 PHE A 19 2.715 3.889 -10.385 1.00 0.00 H new ATOM 0 HE2 PHE A 19 6.224 3.040 -8.120 1.00 0.00 H new ATOM 0 HZ PHE A 19 5.130 3.409 -10.294 1.00 0.00 H new ATOM 290 N ILE A 20 0.740 4.858 -3.191 1.00 0.00 N ATOM 291 CA ILE A 20 -0.414 4.788 -2.306 1.00 0.00 C ATOM 292 C ILE A 20 -0.972 6.177 -2.019 1.00 0.00 C ATOM 293 O ILE A 20 -2.082 6.496 -2.431 1.00 0.00 O ATOM 294 CB ILE A 20 -0.072 4.090 -0.968 1.00 0.00 C ATOM 295 CG1 ILE A 20 0.416 2.660 -1.215 1.00 0.00 C ATOM 296 CG2 ILE A 20 -1.283 4.083 -0.043 1.00 0.00 C ATOM 297 CD1 ILE A 20 0.738 1.903 0.058 1.00 0.00 C ATOM 0 H ILE A 20 1.643 4.796 -2.721 1.00 0.00 H new ATOM 0 HA ILE A 20 -1.168 4.196 -2.824 1.00 0.00 H new ATOM 0 HB ILE A 20 0.729 4.650 -0.486 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -0.348 2.115 -1.769 1.00 0.00 H new ATOM 0 HG13 ILE A 20 1.305 2.692 -1.844 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -1.023 3.588 0.893 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -1.590 5.109 0.162 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -2.103 3.547 -0.521 1.00 0.00 H new ATOM 0 HD11 ILE A 20 1.077 0.898 -0.192 1.00 0.00 H new ATOM 0 HD12 ILE A 20 1.523 2.426 0.604 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -0.155 1.840 0.680 1.00 0.00 H new ATOM 309 N GLY A 21 -0.186 7.004 -1.334 1.00 0.00 N ATOM 310 CA GLY A 21 -0.665 8.305 -0.901 1.00 0.00 C ATOM 311 C GLY A 21 -1.046 9.207 -2.056 1.00 0.00 C ATOM 312 O GLY A 21 -2.149 9.752 -2.084 1.00 0.00 O ATOM 0 H GLY A 21 0.777 6.795 -1.071 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -1.530 8.170 -0.251 1.00 0.00 H new ATOM 0 HA3 GLY A 21 0.108 8.792 -0.306 1.00 0.00 H new ATOM 316 N GLY A 22 -0.125 9.352 -3.009 1.00 0.00 N ATOM 317 CA GLY A 22 -0.355 10.204 -4.163 1.00 0.00 C ATOM 318 C GLY A 22 -0.829 11.594 -3.782 1.00 0.00 C ATOM 319 O GLY A 22 -0.117 12.346 -3.108 1.00 0.00 O ATOM 0 H GLY A 22 0.784 8.889 -3.000 1.00 0.00 H new ATOM 0 HA2 GLY A 22 0.567 10.285 -4.739 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -1.096 9.737 -4.812 1.00 0.00 H new ATOM 323 N MET A 23 -2.037 11.926 -4.208 1.00 0.00 N ATOM 324 CA MET A 23 -2.641 13.215 -3.907 1.00 0.00 C ATOM 325 C MET A 23 -4.138 13.177 -4.204 1.00 0.00 C ATOM 326 O MET A 23 -4.555 12.956 -5.342 1.00 0.00 O ATOM 327 CB MET A 23 -1.966 14.344 -4.705 1.00 0.00 C ATOM 328 CG MET A 23 -1.954 14.126 -6.212 1.00 0.00 C ATOM 329 SD MET A 23 -1.269 15.526 -7.119 1.00 0.00 S ATOM 330 CE MET A 23 -2.470 16.800 -6.736 1.00 0.00 C ATOM 0 H MET A 23 -2.626 11.312 -4.771 1.00 0.00 H new ATOM 0 HA MET A 23 -2.495 13.419 -2.846 1.00 0.00 H new ATOM 0 HB2 MET A 23 -2.478 15.282 -4.489 1.00 0.00 H new ATOM 0 HB3 MET A 23 -0.939 14.455 -4.358 1.00 0.00 H new ATOM 0 HG2 MET A 23 -1.373 13.233 -6.440 1.00 0.00 H new ATOM 0 HG3 MET A 23 -2.972 13.940 -6.555 1.00 0.00 H new ATOM 0 HE1 MET A 23 -2.427 17.581 -7.496 1.00 0.00 H new ATOM 0 HE2 MET A 23 -3.469 16.365 -6.719 1.00 0.00 H new ATOM 0 HE3 MET A 23 -2.245 17.230 -5.760 1.00 0.00 H new ATOM 340 N ASN A 24 -4.946 13.373 -3.180 1.00 0.00 N ATOM 341 CA ASN A 24 -6.387 13.366 -3.355 1.00 0.00 C ATOM 342 C ASN A 24 -6.912 14.779 -3.530 1.00 0.00 C ATOM 343 O ASN A 24 -7.179 15.483 -2.554 1.00 0.00 O ATOM 344 CB ASN A 24 -7.100 12.694 -2.178 1.00 0.00 C ATOM 345 CG ASN A 24 -6.966 11.182 -2.169 1.00 0.00 C ATOM 346 OD1 ASN A 24 -7.056 10.557 -1.117 1.00 0.00 O ATOM 347 ND2 ASN A 24 -6.758 10.586 -3.335 1.00 0.00 N ATOM 0 H ASN A 24 -4.633 13.538 -2.223 1.00 0.00 H new ATOM 0 HA ASN A 24 -6.598 12.788 -4.255 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -6.698 13.091 -1.246 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -8.158 12.956 -2.207 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -6.667 9.571 -3.380 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -6.689 11.142 -4.187 1.00 0.00 H new ATOM 354 N THR A 25 -7.037 15.194 -4.778 1.00 0.00 N ATOM 355 CA THR A 25 -7.597 16.496 -5.098 1.00 0.00 C ATOM 356 C THR A 25 -9.125 16.439 -4.999 1.00 0.00 C ATOM 357 O THR A 25 -9.827 16.194 -5.981 1.00 0.00 O ATOM 358 CB THR A 25 -7.122 16.979 -6.498 1.00 0.00 C ATOM 359 OG1 THR A 25 -7.787 18.190 -6.878 1.00 0.00 O ATOM 360 CG2 THR A 25 -7.337 15.911 -7.566 1.00 0.00 C ATOM 0 H THR A 25 -6.757 14.645 -5.591 1.00 0.00 H new ATOM 0 HA THR A 25 -7.237 17.228 -4.375 1.00 0.00 H new ATOM 0 HB THR A 25 -6.052 17.173 -6.422 1.00 0.00 H new ATOM 0 HG1 THR A 25 -7.470 18.474 -7.761 1.00 0.00 H new ATOM 0 HG21 THR A 25 -6.993 16.286 -8.530 1.00 0.00 H new ATOM 0 HG22 THR A 25 -6.774 15.015 -7.303 1.00 0.00 H new ATOM 0 HG23 THR A 25 -8.398 15.668 -7.629 1.00 0.00 H new ATOM 368 N SER A 26 -9.619 16.591 -3.765 1.00 0.00 N ATOM 369 CA SER A 26 -11.053 16.521 -3.457 1.00 0.00 C ATOM 370 C SER A 26 -11.582 15.083 -3.597 1.00 0.00 C ATOM 371 O SER A 26 -12.729 14.794 -3.254 1.00 0.00 O ATOM 372 CB SER A 26 -11.848 17.487 -4.354 1.00 0.00 C ATOM 373 OG SER A 26 -13.220 17.533 -3.990 1.00 0.00 O ATOM 0 H SER A 26 -9.034 16.767 -2.948 1.00 0.00 H new ATOM 0 HA SER A 26 -11.190 16.826 -2.419 1.00 0.00 H new ATOM 0 HB2 SER A 26 -11.419 18.486 -4.283 1.00 0.00 H new ATOM 0 HB3 SER A 26 -11.758 17.175 -5.394 1.00 0.00 H new ATOM 0 HG SER A 26 -13.507 16.648 -3.683 1.00 0.00 H new ATOM 379 N ALA A 27 -10.729 14.181 -4.082 1.00 0.00 N ATOM 380 CA ALA A 27 -11.099 12.783 -4.253 1.00 0.00 C ATOM 381 C ALA A 27 -11.330 12.124 -2.905 1.00 0.00 C ATOM 382 O ALA A 27 -10.409 11.969 -2.104 1.00 0.00 O ATOM 383 CB ALA A 27 -10.030 12.035 -5.028 1.00 0.00 C ATOM 0 H ALA A 27 -9.773 14.399 -4.364 1.00 0.00 H new ATOM 0 HA ALA A 27 -12.028 12.745 -4.823 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -10.327 10.993 -5.144 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -9.908 12.489 -6.011 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -9.086 12.085 -4.486 1.00 0.00 H new ATOM 389 N SER A 28 -12.564 11.736 -2.667 1.00 0.00 N ATOM 390 CA SER A 28 -12.963 11.185 -1.387 1.00 0.00 C ATOM 391 C SER A 28 -13.941 10.042 -1.584 1.00 0.00 C ATOM 392 O SER A 28 -13.705 8.920 -1.136 1.00 0.00 O ATOM 393 CB SER A 28 -13.590 12.280 -0.542 1.00 0.00 C ATOM 394 OG SER A 28 -14.416 13.114 -1.338 1.00 0.00 O ATOM 0 H SER A 28 -13.318 11.793 -3.352 1.00 0.00 H new ATOM 0 HA SER A 28 -12.084 10.794 -0.874 1.00 0.00 H new ATOM 0 HB2 SER A 28 -14.179 11.835 0.260 1.00 0.00 H new ATOM 0 HB3 SER A 28 -12.808 12.876 -0.071 1.00 0.00 H new ATOM 0 HG SER A 28 -13.856 13.724 -1.863 1.00 0.00 H new ATOM 400 N VAL A 29 -15.036 10.337 -2.256 1.00 0.00 N ATOM 401 CA VAL A 29 -15.970 9.304 -2.655 1.00 0.00 C ATOM 402 C VAL A 29 -15.477 8.660 -3.953 1.00 0.00 C ATOM 403 O VAL A 29 -15.289 7.443 -4.007 1.00 0.00 O ATOM 404 CB VAL A 29 -17.412 9.847 -2.815 1.00 0.00 C ATOM 405 CG1 VAL A 29 -18.373 8.732 -3.195 1.00 0.00 C ATOM 406 CG2 VAL A 29 -17.866 10.534 -1.537 1.00 0.00 C ATOM 0 H VAL A 29 -15.300 11.281 -2.537 1.00 0.00 H new ATOM 0 HA VAL A 29 -16.012 8.553 -1.866 1.00 0.00 H new ATOM 0 HB VAL A 29 -17.412 10.581 -3.621 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -19.379 9.139 -3.301 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -18.060 8.288 -4.140 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -18.371 7.969 -2.417 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -18.881 10.910 -1.667 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -17.846 9.820 -0.713 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -17.197 11.365 -1.313 1.00 0.00 H new ATOM 416 N PRO A 30 -15.228 9.457 -5.017 1.00 0.00 N ATOM 417 CA PRO A 30 -14.554 8.953 -6.207 1.00 0.00 C ATOM 418 C PRO A 30 -13.037 8.920 -6.019 1.00 0.00 C ATOM 419 O PRO A 30 -12.438 9.885 -5.541 1.00 0.00 O ATOM 420 CB PRO A 30 -14.934 9.974 -7.277 1.00 0.00 C ATOM 421 CG PRO A 30 -15.082 11.252 -6.530 1.00 0.00 C ATOM 422 CD PRO A 30 -15.609 10.880 -5.172 1.00 0.00 C ATOM 0 HA PRO A 30 -14.843 7.931 -6.453 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -14.165 10.049 -8.046 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -15.861 9.697 -7.779 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -14.126 11.770 -6.449 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -15.767 11.927 -7.043 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -15.169 11.499 -4.390 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -16.689 11.013 -5.113 1.00 0.00 H new ATOM 430 N HIS A 31 -12.428 7.799 -6.362 1.00 0.00 N ATOM 431 CA HIS A 31 -10.976 7.669 -6.342 1.00 0.00 C ATOM 432 C HIS A 31 -10.531 7.060 -7.670 1.00 0.00 C ATOM 433 O HIS A 31 -11.307 6.341 -8.295 1.00 0.00 O ATOM 434 CB HIS A 31 -10.516 6.803 -5.161 1.00 0.00 C ATOM 435 CG HIS A 31 -10.545 7.499 -3.826 1.00 0.00 C ATOM 436 ND1 HIS A 31 -9.403 7.826 -3.134 1.00 0.00 N ATOM 437 CD2 HIS A 31 -11.575 7.894 -3.037 1.00 0.00 C ATOM 438 CE1 HIS A 31 -9.722 8.382 -1.985 1.00 0.00 C ATOM 439 NE2 HIS A 31 -11.034 8.434 -1.898 1.00 0.00 N ATOM 0 H HIS A 31 -12.919 6.956 -6.661 1.00 0.00 H new ATOM 0 HA HIS A 31 -10.521 8.651 -6.214 1.00 0.00 H new ATOM 0 HB2 HIS A 31 -11.149 5.917 -5.108 1.00 0.00 H new ATOM 0 HB3 HIS A 31 -9.500 6.458 -5.354 1.00 0.00 H new ATOM 0 HD1 HIS A 31 -8.451 7.662 -3.462 1.00 0.00 H new ATOM 0 HD2 HIS A 31 -12.627 7.801 -3.264 1.00 0.00 H new ATOM 0 HE1 HIS A 31 -9.025 8.736 -1.240 1.00 0.00 H new ATOM 0 HE2 HIS A 31 -11.562 8.814 -1.112 1.00 0.00 H new ATOM 448 N SER A 32 -9.309 7.343 -8.112 1.00 0.00 N ATOM 449 CA SER A 32 -8.905 6.957 -9.465 1.00 0.00 C ATOM 450 C SER A 32 -7.998 5.727 -9.471 1.00 0.00 C ATOM 451 O SER A 32 -8.452 4.602 -9.686 1.00 0.00 O ATOM 452 CB SER A 32 -8.186 8.125 -10.141 1.00 0.00 C ATOM 453 OG SER A 32 -8.949 9.316 -10.033 1.00 0.00 O ATOM 0 H SER A 32 -8.594 7.827 -7.569 1.00 0.00 H new ATOM 0 HA SER A 32 -9.811 6.701 -10.015 1.00 0.00 H new ATOM 0 HB2 SER A 32 -7.208 8.271 -9.682 1.00 0.00 H new ATOM 0 HB3 SER A 32 -8.013 7.892 -11.192 1.00 0.00 H new ATOM 0 HG SER A 32 -8.471 10.051 -10.470 1.00 0.00 H new ATOM 459 N MET A 33 -6.721 5.945 -9.204 1.00 0.00 N ATOM 460 CA MET A 33 -5.737 4.875 -9.253 1.00 0.00 C ATOM 461 C MET A 33 -5.291 4.552 -7.839 1.00 0.00 C ATOM 462 O MET A 33 -4.745 3.484 -7.560 1.00 0.00 O ATOM 463 CB MET A 33 -4.538 5.304 -10.097 1.00 0.00 C ATOM 464 CG MET A 33 -3.679 4.146 -10.576 1.00 0.00 C ATOM 465 SD MET A 33 -1.958 4.613 -10.807 1.00 0.00 S ATOM 466 CE MET A 33 -1.512 4.976 -9.113 1.00 0.00 C ATOM 0 H MET A 33 -6.340 6.856 -8.950 1.00 0.00 H new ATOM 0 HA MET A 33 -6.180 3.989 -9.708 1.00 0.00 H new ATOM 0 HB2 MET A 33 -4.896 5.861 -10.963 1.00 0.00 H new ATOM 0 HB3 MET A 33 -3.920 5.985 -9.513 1.00 0.00 H new ATOM 0 HG2 MET A 33 -3.737 3.332 -9.854 1.00 0.00 H new ATOM 0 HG3 MET A 33 -4.078 3.767 -11.517 1.00 0.00 H new ATOM 0 HE1 MET A 33 -0.601 4.437 -8.853 1.00 0.00 H new ATOM 0 HE2 MET A 33 -1.344 6.047 -9.002 1.00 0.00 H new ATOM 0 HE3 MET A 33 -2.319 4.665 -8.450 1.00 0.00 H new ATOM 476 N ASP A 34 -5.570 5.494 -6.955 1.00 0.00 N ATOM 477 CA ASP A 34 -5.227 5.397 -5.547 1.00 0.00 C ATOM 478 C ASP A 34 -6.240 4.527 -4.815 1.00 0.00 C ATOM 479 O ASP A 34 -6.157 4.320 -3.610 1.00 0.00 O ATOM 480 CB ASP A 34 -5.198 6.804 -4.946 1.00 0.00 C ATOM 481 CG ASP A 34 -6.518 7.533 -5.118 1.00 0.00 C ATOM 482 OD1 ASP A 34 -6.998 7.665 -6.275 1.00 0.00 O ATOM 483 OD2 ASP A 34 -7.092 7.966 -4.104 1.00 0.00 O ATOM 0 H ASP A 34 -6.049 6.361 -7.199 1.00 0.00 H new ATOM 0 HA ASP A 34 -4.245 4.935 -5.440 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -4.958 6.738 -3.885 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -4.403 7.381 -5.418 1.00 0.00 H new ATOM 488 N GLU A 35 -7.214 4.040 -5.562 1.00 0.00 N ATOM 489 CA GLU A 35 -8.184 3.100 -5.040 1.00 0.00 C ATOM 490 C GLU A 35 -7.847 1.689 -5.520 1.00 0.00 C ATOM 491 O GLU A 35 -7.582 0.788 -4.720 1.00 0.00 O ATOM 492 CB GLU A 35 -9.595 3.522 -5.480 1.00 0.00 C ATOM 493 CG GLU A 35 -10.721 2.623 -4.991 1.00 0.00 C ATOM 494 CD GLU A 35 -10.971 1.444 -5.905 1.00 0.00 C ATOM 495 OE1 GLU A 35 -11.402 1.665 -7.052 1.00 0.00 O ATOM 496 OE2 GLU A 35 -10.744 0.293 -5.478 1.00 0.00 O ATOM 0 H GLU A 35 -7.353 4.284 -6.542 1.00 0.00 H new ATOM 0 HA GLU A 35 -8.153 3.100 -3.950 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -9.781 4.536 -5.126 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -9.624 3.555 -6.569 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -10.480 2.258 -3.993 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -11.636 3.209 -4.904 1.00 0.00 H new ATOM 503 N SER A 36 -7.825 1.523 -6.837 1.00 0.00 N ATOM 504 CA SER A 36 -7.627 0.223 -7.461 1.00 0.00 C ATOM 505 C SER A 36 -6.176 -0.251 -7.341 1.00 0.00 C ATOM 506 O SER A 36 -5.894 -1.269 -6.700 1.00 0.00 O ATOM 507 CB SER A 36 -8.043 0.318 -8.929 1.00 0.00 C ATOM 508 OG SER A 36 -7.573 1.529 -9.504 1.00 0.00 O ATOM 0 H SER A 36 -7.944 2.287 -7.502 1.00 0.00 H new ATOM 0 HA SER A 36 -8.242 -0.513 -6.944 1.00 0.00 H new ATOM 0 HB2 SER A 36 -7.644 -0.532 -9.482 1.00 0.00 H new ATOM 0 HB3 SER A 36 -9.129 0.268 -9.009 1.00 0.00 H new ATOM 0 HG SER A 36 -7.847 1.573 -10.444 1.00 0.00 H new ATOM 514 N THR A 37 -5.260 0.500 -7.942 1.00 0.00 N ATOM 515 CA THR A 37 -3.848 0.143 -7.944 1.00 0.00 C ATOM 516 C THR A 37 -3.282 0.112 -6.525 1.00 0.00 C ATOM 517 O THR A 37 -2.405 -0.696 -6.215 1.00 0.00 O ATOM 518 CB THR A 37 -3.046 1.119 -8.823 1.00 0.00 C ATOM 519 OG1 THR A 37 -3.603 1.127 -10.144 1.00 0.00 O ATOM 520 CG2 THR A 37 -1.575 0.723 -8.895 1.00 0.00 C ATOM 0 H THR A 37 -5.473 1.366 -8.437 1.00 0.00 H new ATOM 0 HA THR A 37 -3.757 -0.859 -8.363 1.00 0.00 H new ATOM 0 HB THR A 37 -3.107 2.112 -8.379 1.00 0.00 H new ATOM 0 HG1 THR A 37 -2.941 1.477 -10.776 1.00 0.00 H new ATOM 0 HG21 THR A 37 -1.037 1.433 -9.524 1.00 0.00 H new ATOM 0 HG22 THR A 37 -1.147 0.729 -7.893 1.00 0.00 H new ATOM 0 HG23 THR A 37 -1.488 -0.277 -9.320 1.00 0.00 H new ATOM 528 N ALA A 38 -3.809 0.972 -5.658 1.00 0.00 N ATOM 529 CA ALA A 38 -3.381 1.005 -4.267 1.00 0.00 C ATOM 530 C ALA A 38 -3.704 -0.311 -3.569 1.00 0.00 C ATOM 531 O ALA A 38 -2.858 -0.865 -2.868 1.00 0.00 O ATOM 532 CB ALA A 38 -4.020 2.167 -3.533 1.00 0.00 C ATOM 0 H ALA A 38 -4.531 1.653 -5.895 1.00 0.00 H new ATOM 0 HA ALA A 38 -2.300 1.144 -4.251 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -3.685 2.171 -2.496 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -3.730 3.103 -4.011 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -5.105 2.064 -3.564 1.00 0.00 H new ATOM 538 N LYS A 39 -4.928 -0.815 -3.767 1.00 0.00 N ATOM 539 CA LYS A 39 -5.312 -2.111 -3.210 1.00 0.00 C ATOM 540 C LYS A 39 -4.361 -3.194 -3.690 1.00 0.00 C ATOM 541 O LYS A 39 -3.913 -4.032 -2.906 1.00 0.00 O ATOM 542 CB LYS A 39 -6.740 -2.500 -3.610 1.00 0.00 C ATOM 543 CG LYS A 39 -7.832 -1.738 -2.881 1.00 0.00 C ATOM 544 CD LYS A 39 -9.193 -2.354 -3.157 1.00 0.00 C ATOM 545 CE LYS A 39 -10.306 -1.619 -2.433 1.00 0.00 C ATOM 546 NZ LYS A 39 -10.498 -0.244 -2.962 1.00 0.00 N ATOM 0 H LYS A 39 -5.660 -0.349 -4.303 1.00 0.00 H new ATOM 0 HA LYS A 39 -5.264 -2.020 -2.125 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -6.859 -2.342 -4.682 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -6.876 -3.566 -3.428 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -7.634 -1.746 -1.809 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -7.828 -0.695 -3.198 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -9.387 -2.340 -4.230 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -9.188 -3.399 -2.848 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -11.236 -2.179 -2.533 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -10.076 -1.570 -1.369 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -11.510 -0.004 -2.947 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -9.973 0.432 -2.371 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -10.145 -0.196 -3.939 1.00 0.00 H new ATOM 560 N GLY A 40 -4.055 -3.160 -4.981 1.00 0.00 N ATOM 561 CA GLY A 40 -3.169 -4.140 -5.562 1.00 0.00 C ATOM 562 C GLY A 40 -1.789 -4.117 -4.943 1.00 0.00 C ATOM 563 O GLY A 40 -1.267 -5.157 -4.556 1.00 0.00 O ATOM 0 H GLY A 40 -4.410 -2.464 -5.637 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -3.601 -5.133 -5.440 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -3.085 -3.959 -6.634 1.00 0.00 H new ATOM 567 N ILE A 41 -1.204 -2.931 -4.839 1.00 0.00 N ATOM 568 CA ILE A 41 0.136 -2.785 -4.284 1.00 0.00 C ATOM 569 C ILE A 41 0.155 -3.132 -2.800 1.00 0.00 C ATOM 570 O ILE A 41 1.058 -3.819 -2.325 1.00 0.00 O ATOM 571 CB ILE A 41 0.681 -1.355 -4.498 1.00 0.00 C ATOM 572 CG1 ILE A 41 0.811 -1.068 -5.996 1.00 0.00 C ATOM 573 CG2 ILE A 41 2.025 -1.175 -3.800 1.00 0.00 C ATOM 574 CD1 ILE A 41 1.295 0.332 -6.312 1.00 0.00 C ATOM 0 H ILE A 41 -1.637 -2.055 -5.132 1.00 0.00 H new ATOM 0 HA ILE A 41 0.783 -3.483 -4.815 1.00 0.00 H new ATOM 0 HB ILE A 41 -0.021 -0.645 -4.060 1.00 0.00 H new ATOM 0 HG12 ILE A 41 1.501 -1.788 -6.436 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -0.158 -1.223 -6.471 1.00 0.00 H new ATOM 0 HG21 ILE A 41 2.388 -0.161 -3.965 1.00 0.00 H new ATOM 0 HG22 ILE A 41 1.906 -1.348 -2.730 1.00 0.00 H new ATOM 0 HG23 ILE A 41 2.744 -1.888 -4.205 1.00 0.00 H new ATOM 0 HD11 ILE A 41 1.361 0.459 -7.393 1.00 0.00 H new ATOM 0 HD12 ILE A 41 0.594 1.060 -5.904 1.00 0.00 H new ATOM 0 HD13 ILE A 41 2.278 0.486 -5.868 1.00 0.00 H new ATOM 586 N LEU A 42 -0.859 -2.669 -2.076 1.00 0.00 N ATOM 587 CA LEU A 42 -0.993 -2.969 -0.655 1.00 0.00 C ATOM 588 C LEU A 42 -1.037 -4.479 -0.436 1.00 0.00 C ATOM 589 O LEU A 42 -0.376 -5.020 0.454 1.00 0.00 O ATOM 590 CB LEU A 42 -2.270 -2.323 -0.107 1.00 0.00 C ATOM 591 CG LEU A 42 -2.502 -2.480 1.398 1.00 0.00 C ATOM 592 CD1 LEU A 42 -1.447 -1.719 2.185 1.00 0.00 C ATOM 593 CD2 LEU A 42 -3.898 -2.004 1.769 1.00 0.00 C ATOM 0 H LEU A 42 -1.603 -2.082 -2.452 1.00 0.00 H new ATOM 0 HA LEU A 42 -0.131 -2.564 -0.125 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -2.247 -1.259 -0.343 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -3.125 -2.748 -0.634 1.00 0.00 H new ATOM 0 HG LEU A 42 -2.418 -3.536 1.653 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -1.629 -1.843 3.252 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -0.459 -2.107 1.938 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -1.495 -0.661 1.929 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -4.049 -2.121 2.842 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -4.008 -0.953 1.500 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -4.639 -2.596 1.231 1.00 0.00 H new ATOM 605 N LYS A 43 -1.813 -5.151 -1.270 1.00 0.00 N ATOM 606 CA LYS A 43 -1.960 -6.594 -1.202 1.00 0.00 C ATOM 607 C LYS A 43 -0.680 -7.286 -1.674 1.00 0.00 C ATOM 608 O LYS A 43 -0.250 -8.277 -1.088 1.00 0.00 O ATOM 609 CB LYS A 43 -3.162 -7.008 -2.056 1.00 0.00 C ATOM 610 CG LYS A 43 -3.590 -8.462 -1.921 1.00 0.00 C ATOM 611 CD LYS A 43 -4.954 -8.666 -2.563 1.00 0.00 C ATOM 612 CE LYS A 43 -5.350 -10.131 -2.656 1.00 0.00 C ATOM 613 NZ LYS A 43 -5.401 -10.800 -1.329 1.00 0.00 N ATOM 0 H LYS A 43 -2.358 -4.712 -2.012 1.00 0.00 H new ATOM 0 HA LYS A 43 -2.133 -6.900 -0.170 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -4.008 -6.372 -1.794 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -2.927 -6.812 -3.102 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -2.855 -9.111 -2.396 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -3.629 -8.742 -0.868 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -5.706 -8.127 -1.986 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -4.948 -8.232 -3.563 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -6.326 -10.209 -3.135 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -4.639 -10.655 -3.295 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -5.692 -11.791 -1.451 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -4.460 -10.767 -0.887 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -6.087 -10.310 -0.719 1.00 0.00 H new ATOM 627 N TYR A 44 -0.068 -6.735 -2.715 1.00 0.00 N ATOM 628 CA TYR A 44 1.161 -7.279 -3.282 1.00 0.00 C ATOM 629 C TYR A 44 2.308 -7.227 -2.270 1.00 0.00 C ATOM 630 O TYR A 44 3.116 -8.150 -2.188 1.00 0.00 O ATOM 631 CB TYR A 44 1.538 -6.503 -4.548 1.00 0.00 C ATOM 632 CG TYR A 44 2.722 -7.072 -5.305 1.00 0.00 C ATOM 633 CD1 TYR A 44 2.663 -8.340 -5.869 1.00 0.00 C ATOM 634 CD2 TYR A 44 3.890 -6.335 -5.468 1.00 0.00 C ATOM 635 CE1 TYR A 44 3.734 -8.859 -6.570 1.00 0.00 C ATOM 636 CE2 TYR A 44 4.965 -6.849 -6.169 1.00 0.00 C ATOM 637 CZ TYR A 44 4.882 -8.112 -6.717 1.00 0.00 C ATOM 638 OH TYR A 44 5.949 -8.628 -7.416 1.00 0.00 O ATOM 0 H TYR A 44 -0.409 -5.899 -3.190 1.00 0.00 H new ATOM 0 HA TYR A 44 0.986 -8.324 -3.538 1.00 0.00 H new ATOM 0 HB2 TYR A 44 0.675 -6.478 -5.214 1.00 0.00 H new ATOM 0 HB3 TYR A 44 1.760 -5.472 -4.274 1.00 0.00 H new ATOM 0 HD1 TYR A 44 1.765 -8.930 -5.758 1.00 0.00 H new ATOM 0 HD2 TYR A 44 3.958 -5.346 -5.040 1.00 0.00 H new ATOM 0 HE1 TYR A 44 3.672 -9.847 -7.001 1.00 0.00 H new ATOM 0 HE2 TYR A 44 5.865 -6.264 -6.287 1.00 0.00 H new ATOM 0 HH TYR A 44 6.679 -7.974 -7.428 1.00 0.00 H new ATOM 648 N LEU A 45 2.377 -6.147 -1.500 1.00 0.00 N ATOM 649 CA LEU A 45 3.408 -6.013 -0.475 1.00 0.00 C ATOM 650 C LEU A 45 3.209 -7.046 0.628 1.00 0.00 C ATOM 651 O LEU A 45 4.172 -7.660 1.095 1.00 0.00 O ATOM 652 CB LEU A 45 3.416 -4.596 0.102 1.00 0.00 C ATOM 653 CG LEU A 45 3.851 -3.508 -0.884 1.00 0.00 C ATOM 654 CD1 LEU A 45 3.821 -2.139 -0.226 1.00 0.00 C ATOM 655 CD2 LEU A 45 5.241 -3.803 -1.430 1.00 0.00 C ATOM 0 H LEU A 45 1.736 -5.356 -1.564 1.00 0.00 H new ATOM 0 HA LEU A 45 4.377 -6.196 -0.940 1.00 0.00 H new ATOM 0 HB2 LEU A 45 2.416 -4.360 0.465 1.00 0.00 H new ATOM 0 HB3 LEU A 45 4.082 -4.573 0.965 1.00 0.00 H new ATOM 0 HG LEU A 45 3.146 -3.504 -1.715 1.00 0.00 H new ATOM 0 HD11 LEU A 45 4.134 -1.382 -0.946 1.00 0.00 H new ATOM 0 HD12 LEU A 45 2.808 -1.920 0.113 1.00 0.00 H new ATOM 0 HD13 LEU A 45 4.499 -2.130 0.627 1.00 0.00 H new ATOM 0 HD21 LEU A 45 5.532 -3.018 -2.129 1.00 0.00 H new ATOM 0 HD22 LEU A 45 5.955 -3.839 -0.607 1.00 0.00 H new ATOM 0 HD23 LEU A 45 5.233 -4.763 -1.946 1.00 0.00 H new ATOM 667 N HIS A 46 1.956 -7.252 1.031 1.00 0.00 N ATOM 668 CA HIS A 46 1.631 -8.296 2.002 1.00 0.00 C ATOM 669 C HIS A 46 2.001 -9.663 1.439 1.00 0.00 C ATOM 670 O HIS A 46 2.447 -10.551 2.167 1.00 0.00 O ATOM 671 CB HIS A 46 0.144 -8.273 2.364 1.00 0.00 C ATOM 672 CG HIS A 46 -0.241 -7.193 3.331 1.00 0.00 C ATOM 673 ND1 HIS A 46 -0.667 -5.942 2.937 1.00 0.00 N ATOM 674 CD2 HIS A 46 -0.285 -7.192 4.683 1.00 0.00 C ATOM 675 CE1 HIS A 46 -0.957 -5.222 4.004 1.00 0.00 C ATOM 676 NE2 HIS A 46 -0.736 -5.957 5.074 1.00 0.00 N ATOM 0 H HIS A 46 1.154 -6.714 0.703 1.00 0.00 H new ATOM 0 HA HIS A 46 2.207 -8.105 2.908 1.00 0.00 H new ATOM 0 HB2 HIS A 46 -0.438 -8.151 1.451 1.00 0.00 H new ATOM 0 HB3 HIS A 46 -0.129 -9.239 2.789 1.00 0.00 H new ATOM 0 HD1 HIS A 46 -0.746 -5.623 1.971 1.00 0.00 H new ATOM 0 HD2 HIS A 46 -0.015 -8.011 5.333 1.00 0.00 H new ATOM 0 HE1 HIS A 46 -1.315 -4.203 4.000 1.00 0.00 H new ATOM 0 HE2 HIS A 46 -0.877 -5.656 6.038 1.00 0.00 H new ATOM 685 N ASP A 47 1.808 -9.810 0.135 1.00 0.00 N ATOM 686 CA ASP A 47 2.169 -11.030 -0.573 1.00 0.00 C ATOM 687 C ASP A 47 3.671 -11.267 -0.495 1.00 0.00 C ATOM 688 O ASP A 47 4.115 -12.353 -0.116 1.00 0.00 O ATOM 689 CB ASP A 47 1.735 -10.935 -2.041 1.00 0.00 C ATOM 690 CG ASP A 47 2.021 -12.201 -2.825 1.00 0.00 C ATOM 691 OD1 ASP A 47 3.165 -12.370 -3.296 1.00 0.00 O ATOM 692 OD2 ASP A 47 1.095 -13.025 -2.980 1.00 0.00 O ATOM 0 H ASP A 47 1.398 -9.090 -0.460 1.00 0.00 H new ATOM 0 HA ASP A 47 1.656 -11.868 -0.101 1.00 0.00 H new ATOM 0 HB2 ASP A 47 0.667 -10.720 -2.086 1.00 0.00 H new ATOM 0 HB3 ASP A 47 2.249 -10.098 -2.513 1.00 0.00 H new ATOM 697 N LEU A 48 4.442 -10.239 -0.845 1.00 0.00 N ATOM 698 CA LEU A 48 5.900 -10.322 -0.841 1.00 0.00 C ATOM 699 C LEU A 48 6.428 -10.771 0.515 1.00 0.00 C ATOM 700 O LEU A 48 7.314 -11.623 0.592 1.00 0.00 O ATOM 701 CB LEU A 48 6.518 -8.974 -1.220 1.00 0.00 C ATOM 702 CG LEU A 48 6.224 -8.500 -2.645 1.00 0.00 C ATOM 703 CD1 LEU A 48 6.866 -7.146 -2.896 1.00 0.00 C ATOM 704 CD2 LEU A 48 6.717 -9.520 -3.660 1.00 0.00 C ATOM 0 H LEU A 48 4.077 -9.332 -1.137 1.00 0.00 H new ATOM 0 HA LEU A 48 6.187 -11.067 -1.583 1.00 0.00 H new ATOM 0 HB2 LEU A 48 6.159 -8.218 -0.521 1.00 0.00 H new ATOM 0 HB3 LEU A 48 7.598 -9.039 -1.091 1.00 0.00 H new ATOM 0 HG LEU A 48 5.145 -8.397 -2.758 1.00 0.00 H new ATOM 0 HD11 LEU A 48 6.648 -6.823 -3.914 1.00 0.00 H new ATOM 0 HD12 LEU A 48 6.467 -6.418 -2.190 1.00 0.00 H new ATOM 0 HD13 LEU A 48 7.945 -7.225 -2.764 1.00 0.00 H new ATOM 0 HD21 LEU A 48 6.499 -9.165 -4.667 1.00 0.00 H new ATOM 0 HD22 LEU A 48 7.793 -9.655 -3.547 1.00 0.00 H new ATOM 0 HD23 LEU A 48 6.213 -10.472 -3.493 1.00 0.00 H new ATOM 716 N GLY A 49 5.880 -10.206 1.581 1.00 0.00 N ATOM 717 CA GLY A 49 6.299 -10.605 2.909 1.00 0.00 C ATOM 718 C GLY A 49 6.310 -9.461 3.898 1.00 0.00 C ATOM 719 O GLY A 49 6.523 -9.676 5.089 1.00 0.00 O ATOM 0 H GLY A 49 5.159 -9.485 1.552 1.00 0.00 H new ATOM 0 HA2 GLY A 49 5.632 -11.386 3.274 1.00 0.00 H new ATOM 0 HA3 GLY A 49 7.298 -11.038 2.853 1.00 0.00 H new ATOM 723 N VAL A 50 6.092 -8.244 3.417 1.00 0.00 N ATOM 724 CA VAL A 50 6.038 -7.086 4.287 1.00 0.00 C ATOM 725 C VAL A 50 4.590 -6.701 4.596 1.00 0.00 C ATOM 726 O VAL A 50 3.918 -6.043 3.799 1.00 0.00 O ATOM 727 CB VAL A 50 6.793 -5.887 3.675 1.00 0.00 C ATOM 728 CG1 VAL A 50 8.292 -6.030 3.904 1.00 0.00 C ATOM 729 CG2 VAL A 50 6.502 -5.748 2.185 1.00 0.00 C ATOM 0 H VAL A 50 5.950 -8.037 2.428 1.00 0.00 H new ATOM 0 HA VAL A 50 6.532 -7.356 5.221 1.00 0.00 H new ATOM 0 HB VAL A 50 6.441 -4.984 4.174 1.00 0.00 H new ATOM 0 HG11 VAL A 50 8.810 -5.177 3.466 1.00 0.00 H new ATOM 0 HG12 VAL A 50 8.495 -6.068 4.974 1.00 0.00 H new ATOM 0 HG13 VAL A 50 8.646 -6.948 3.435 1.00 0.00 H new ATOM 0 HG21 VAL A 50 7.049 -4.894 1.785 1.00 0.00 H new ATOM 0 HG22 VAL A 50 6.815 -6.654 1.667 1.00 0.00 H new ATOM 0 HG23 VAL A 50 5.433 -5.596 2.036 1.00 0.00 H new ATOM 739 N PRO A 51 4.078 -7.128 5.756 1.00 0.00 N ATOM 740 CA PRO A 51 2.708 -6.874 6.142 1.00 0.00 C ATOM 741 C PRO A 51 2.545 -5.545 6.866 1.00 0.00 C ATOM 742 O PRO A 51 2.672 -5.461 8.089 1.00 0.00 O ATOM 743 CB PRO A 51 2.389 -8.051 7.062 1.00 0.00 C ATOM 744 CG PRO A 51 3.697 -8.434 7.682 1.00 0.00 C ATOM 745 CD PRO A 51 4.796 -7.888 6.795 1.00 0.00 C ATOM 0 HA PRO A 51 2.040 -6.797 5.284 1.00 0.00 H new ATOM 0 HB2 PRO A 51 1.661 -7.770 7.823 1.00 0.00 H new ATOM 0 HB3 PRO A 51 1.960 -8.883 6.503 1.00 0.00 H new ATOM 0 HG2 PRO A 51 3.778 -8.026 8.689 1.00 0.00 H new ATOM 0 HG3 PRO A 51 3.777 -9.517 7.770 1.00 0.00 H new ATOM 0 HD2 PRO A 51 5.479 -7.249 7.355 1.00 0.00 H new ATOM 0 HD3 PRO A 51 5.393 -8.690 6.361 1.00 0.00 H new ATOM 753 N VAL A 52 2.308 -4.493 6.097 1.00 0.00 N ATOM 754 CA VAL A 52 2.016 -3.193 6.676 1.00 0.00 C ATOM 755 C VAL A 52 0.626 -3.202 7.304 1.00 0.00 C ATOM 756 O VAL A 52 -0.348 -3.643 6.690 1.00 0.00 O ATOM 757 CB VAL A 52 2.128 -2.059 5.633 1.00 0.00 C ATOM 758 CG1 VAL A 52 3.583 -1.841 5.244 1.00 0.00 C ATOM 759 CG2 VAL A 52 1.285 -2.361 4.405 1.00 0.00 C ATOM 0 H VAL A 52 2.312 -4.514 5.077 1.00 0.00 H new ATOM 0 HA VAL A 52 2.760 -2.999 7.448 1.00 0.00 H new ATOM 0 HB VAL A 52 1.746 -1.143 6.084 1.00 0.00 H new ATOM 0 HG11 VAL A 52 3.647 -1.039 4.508 1.00 0.00 H new ATOM 0 HG12 VAL A 52 4.159 -1.569 6.128 1.00 0.00 H new ATOM 0 HG13 VAL A 52 3.987 -2.759 4.816 1.00 0.00 H new ATOM 0 HG21 VAL A 52 1.383 -1.546 3.687 1.00 0.00 H new ATOM 0 HG22 VAL A 52 1.627 -3.290 3.948 1.00 0.00 H new ATOM 0 HG23 VAL A 52 0.240 -2.464 4.697 1.00 0.00 H new ATOM 769 N SER A 53 0.553 -2.756 8.543 1.00 0.00 N ATOM 770 CA SER A 53 -0.691 -2.769 9.290 1.00 0.00 C ATOM 771 C SER A 53 -1.427 -1.440 9.131 1.00 0.00 C ATOM 772 O SER A 53 -0.809 -0.428 8.793 1.00 0.00 O ATOM 773 CB SER A 53 -0.382 -3.035 10.764 1.00 0.00 C ATOM 774 OG SER A 53 0.499 -4.141 10.901 1.00 0.00 O ATOM 0 H SER A 53 1.348 -2.377 9.058 1.00 0.00 H new ATOM 0 HA SER A 53 -1.337 -3.558 8.904 1.00 0.00 H new ATOM 0 HB2 SER A 53 0.067 -2.149 11.212 1.00 0.00 H new ATOM 0 HB3 SER A 53 -1.308 -3.232 11.305 1.00 0.00 H new ATOM 0 HG SER A 53 0.686 -4.294 11.851 1.00 0.00 H new ATOM 780 N PRO A 54 -2.755 -1.427 9.355 1.00 0.00 N ATOM 781 CA PRO A 54 -3.557 -0.200 9.297 1.00 0.00 C ATOM 782 C PRO A 54 -2.976 0.916 10.166 1.00 0.00 C ATOM 783 O PRO A 54 -3.063 2.090 9.810 1.00 0.00 O ATOM 784 CB PRO A 54 -4.940 -0.628 9.810 1.00 0.00 C ATOM 785 CG PRO A 54 -4.774 -2.011 10.349 1.00 0.00 C ATOM 786 CD PRO A 54 -3.584 -2.603 9.648 1.00 0.00 C ATOM 0 HA PRO A 54 -3.585 0.213 8.288 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -5.296 0.052 10.584 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -5.676 -0.609 9.007 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -4.618 -1.991 11.428 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -5.668 -2.608 10.167 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -3.059 -3.320 10.279 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -3.872 -3.130 8.739 1.00 0.00 H new ATOM 794 N GLU A 55 -2.374 0.535 11.297 1.00 0.00 N ATOM 795 CA GLU A 55 -1.670 1.479 12.167 1.00 0.00 C ATOM 796 C GLU A 55 -0.688 2.328 11.366 1.00 0.00 C ATOM 797 O GLU A 55 -0.688 3.558 11.453 1.00 0.00 O ATOM 798 CB GLU A 55 -0.896 0.715 13.243 1.00 0.00 C ATOM 799 CG GLU A 55 -0.067 1.612 14.150 1.00 0.00 C ATOM 800 CD GLU A 55 0.911 0.833 15.003 1.00 0.00 C ATOM 801 OE1 GLU A 55 1.942 0.370 14.469 1.00 0.00 O ATOM 802 OE2 GLU A 55 0.663 0.673 16.216 1.00 0.00 O ATOM 0 H GLU A 55 -2.361 -0.428 11.632 1.00 0.00 H new ATOM 0 HA GLU A 55 -2.412 2.131 12.628 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -1.600 0.148 13.852 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -0.238 -0.008 12.761 1.00 0.00 H new ATOM 0 HG2 GLU A 55 0.481 2.331 13.541 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -0.733 2.183 14.797 1.00 0.00 H new ATOM 809 N VAL A 56 0.136 1.652 10.576 1.00 0.00 N ATOM 810 CA VAL A 56 1.169 2.309 9.794 1.00 0.00 C ATOM 811 C VAL A 56 0.546 3.264 8.784 1.00 0.00 C ATOM 812 O VAL A 56 1.066 4.352 8.542 1.00 0.00 O ATOM 813 CB VAL A 56 2.050 1.279 9.056 1.00 0.00 C ATOM 814 CG1 VAL A 56 3.235 1.961 8.385 1.00 0.00 C ATOM 815 CG2 VAL A 56 2.526 0.197 10.016 1.00 0.00 C ATOM 0 H VAL A 56 0.106 0.639 10.461 1.00 0.00 H new ATOM 0 HA VAL A 56 1.797 2.873 10.484 1.00 0.00 H new ATOM 0 HB VAL A 56 1.446 0.809 8.280 1.00 0.00 H new ATOM 0 HG11 VAL A 56 3.841 1.215 7.871 1.00 0.00 H new ATOM 0 HG12 VAL A 56 2.873 2.693 7.664 1.00 0.00 H new ATOM 0 HG13 VAL A 56 3.840 2.464 9.139 1.00 0.00 H new ATOM 0 HG21 VAL A 56 3.146 -0.520 9.478 1.00 0.00 H new ATOM 0 HG22 VAL A 56 3.109 0.652 10.816 1.00 0.00 H new ATOM 0 HG23 VAL A 56 1.664 -0.316 10.442 1.00 0.00 H new ATOM 825 N VAL A 57 -0.583 2.856 8.220 1.00 0.00 N ATOM 826 CA VAL A 57 -1.307 3.680 7.263 1.00 0.00 C ATOM 827 C VAL A 57 -1.842 4.942 7.934 1.00 0.00 C ATOM 828 O VAL A 57 -1.669 6.048 7.422 1.00 0.00 O ATOM 829 CB VAL A 57 -2.481 2.908 6.625 1.00 0.00 C ATOM 830 CG1 VAL A 57 -3.220 3.776 5.616 1.00 0.00 C ATOM 831 CG2 VAL A 57 -1.987 1.629 5.966 1.00 0.00 C ATOM 0 H VAL A 57 -1.019 1.954 8.411 1.00 0.00 H new ATOM 0 HA VAL A 57 -0.602 3.955 6.478 1.00 0.00 H new ATOM 0 HB VAL A 57 -3.179 2.641 7.419 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -4.043 3.208 5.181 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -3.614 4.660 6.117 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -2.533 4.082 4.827 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -2.830 1.099 5.522 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -1.264 1.876 5.189 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -1.513 0.994 6.714 1.00 0.00 H new ATOM 841 N VAL A 58 -2.474 4.766 9.092 1.00 0.00 N ATOM 842 CA VAL A 58 -3.054 5.879 9.833 1.00 0.00 C ATOM 843 C VAL A 58 -1.977 6.875 10.253 1.00 0.00 C ATOM 844 O VAL A 58 -2.067 8.062 9.939 1.00 0.00 O ATOM 845 CB VAL A 58 -3.820 5.391 11.083 1.00 0.00 C ATOM 846 CG1 VAL A 58 -4.369 6.566 11.876 1.00 0.00 C ATOM 847 CG2 VAL A 58 -4.947 4.449 10.685 1.00 0.00 C ATOM 0 H VAL A 58 -2.597 3.857 9.538 1.00 0.00 H new ATOM 0 HA VAL A 58 -3.759 6.374 9.165 1.00 0.00 H new ATOM 0 HB VAL A 58 -3.120 4.848 11.717 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -4.904 6.196 12.751 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -3.546 7.205 12.197 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -5.051 7.141 11.250 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -5.475 4.116 11.578 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -5.641 4.970 10.026 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -4.533 3.585 10.165 1.00 0.00 H new ATOM 857 N ALA A 59 -0.950 6.381 10.937 1.00 0.00 N ATOM 858 CA ALA A 59 0.134 7.235 11.414 1.00 0.00 C ATOM 859 C ALA A 59 0.803 7.964 10.251 1.00 0.00 C ATOM 860 O ALA A 59 1.135 9.149 10.355 1.00 0.00 O ATOM 861 CB ALA A 59 1.155 6.410 12.182 1.00 0.00 C ATOM 0 H ALA A 59 -0.845 5.394 11.174 1.00 0.00 H new ATOM 0 HA ALA A 59 -0.288 7.983 12.085 1.00 0.00 H new ATOM 0 HB1 ALA A 59 1.958 7.059 12.532 1.00 0.00 H new ATOM 0 HB2 ALA A 59 0.672 5.937 13.037 1.00 0.00 H new ATOM 0 HB3 ALA A 59 1.568 5.642 11.528 1.00 0.00 H new ATOM 867 N ARG A 60 0.978 7.254 9.141 1.00 0.00 N ATOM 868 CA ARG A 60 1.593 7.825 7.951 1.00 0.00 C ATOM 869 C ARG A 60 0.707 8.925 7.383 1.00 0.00 C ATOM 870 O ARG A 60 1.184 10.007 7.042 1.00 0.00 O ATOM 871 CB ARG A 60 1.813 6.738 6.896 1.00 0.00 C ATOM 872 CG ARG A 60 2.797 7.120 5.805 1.00 0.00 C ATOM 873 CD ARG A 60 4.169 7.421 6.381 1.00 0.00 C ATOM 874 NE ARG A 60 4.590 6.406 7.349 1.00 0.00 N ATOM 875 CZ ARG A 60 5.704 6.483 8.082 1.00 0.00 C ATOM 876 NH1 ARG A 60 6.565 7.476 7.896 1.00 0.00 N ATOM 877 NH2 ARG A 60 5.970 5.547 8.984 1.00 0.00 N ATOM 0 H ARG A 60 0.701 6.277 9.042 1.00 0.00 H new ATOM 0 HA ARG A 60 2.558 8.251 8.226 1.00 0.00 H new ATOM 0 HB2 ARG A 60 2.169 5.834 7.391 1.00 0.00 H new ATOM 0 HB3 ARG A 60 0.855 6.494 6.437 1.00 0.00 H new ATOM 0 HG2 ARG A 60 2.874 6.309 5.081 1.00 0.00 H new ATOM 0 HG3 ARG A 60 2.426 7.993 5.267 1.00 0.00 H new ATOM 0 HD2 ARG A 60 4.898 7.476 5.572 1.00 0.00 H new ATOM 0 HD3 ARG A 60 4.154 8.398 6.863 1.00 0.00 H new ATOM 0 HE ARG A 60 3.994 5.587 7.471 1.00 0.00 H new ATOM 0 HH11 ARG A 60 6.378 8.187 7.189 1.00 0.00 H new ATOM 0 HH12 ARG A 60 7.413 7.528 8.460 1.00 0.00 H new ATOM 0 HH21 ARG A 60 5.324 4.769 9.117 1.00 0.00 H new ATOM 0 HH22 ARG A 60 6.821 5.605 9.544 1.00 0.00 H new ATOM 891 N GLY A 61 -0.587 8.638 7.299 1.00 0.00 N ATOM 892 CA GLY A 61 -1.538 9.599 6.775 1.00 0.00 C ATOM 893 C GLY A 61 -1.586 10.872 7.591 1.00 0.00 C ATOM 894 O GLY A 61 -1.629 11.970 7.036 1.00 0.00 O ATOM 0 H GLY A 61 -0.996 7.749 7.587 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -1.275 9.841 5.745 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -2.530 9.148 6.753 1.00 0.00 H new ATOM 898 N GLU A 62 -1.560 10.723 8.909 1.00 0.00 N ATOM 899 CA GLU A 62 -1.599 11.864 9.816 1.00 0.00 C ATOM 900 C GLU A 62 -0.309 12.681 9.733 1.00 0.00 C ATOM 901 O GLU A 62 -0.308 13.879 10.014 1.00 0.00 O ATOM 902 CB GLU A 62 -1.830 11.385 11.252 1.00 0.00 C ATOM 903 CG GLU A 62 -3.127 10.612 11.432 1.00 0.00 C ATOM 904 CD GLU A 62 -3.351 10.162 12.865 1.00 0.00 C ATOM 905 OE1 GLU A 62 -2.468 10.402 13.716 1.00 0.00 O ATOM 906 OE2 GLU A 62 -4.413 9.572 13.147 1.00 0.00 O ATOM 0 H GLU A 62 -1.512 9.818 9.376 1.00 0.00 H new ATOM 0 HA GLU A 62 -2.425 12.508 9.516 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -0.995 10.753 11.555 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -1.835 12.248 11.918 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -3.963 11.236 11.117 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -3.118 9.739 10.779 1.00 0.00 H new ATOM 913 N GLN A 63 0.785 12.032 9.346 1.00 0.00 N ATOM 914 CA GLN A 63 2.071 12.714 9.244 1.00 0.00 C ATOM 915 C GLN A 63 2.214 13.420 7.900 1.00 0.00 C ATOM 916 O GLN A 63 2.620 14.580 7.840 1.00 0.00 O ATOM 917 CB GLN A 63 3.232 11.734 9.437 1.00 0.00 C ATOM 918 CG GLN A 63 4.591 12.415 9.488 1.00 0.00 C ATOM 919 CD GLN A 63 5.740 11.445 9.683 1.00 0.00 C ATOM 920 OE1 GLN A 63 5.593 10.239 9.165 1.00 0.00 O flip ATOM 921 NE2 GLN A 63 6.757 11.781 10.287 1.00 0.00 N flip ATOM 0 H GLN A 63 0.808 11.042 9.100 1.00 0.00 H new ATOM 0 HA GLN A 63 2.105 13.460 10.038 1.00 0.00 H new ATOM 0 HB2 GLN A 63 3.078 11.176 10.361 1.00 0.00 H new ATOM 0 HB3 GLN A 63 3.226 11.010 8.622 1.00 0.00 H new ATOM 0 HG2 GLN A 63 4.746 12.971 8.563 1.00 0.00 H new ATOM 0 HG3 GLN A 63 4.596 13.141 10.301 1.00 0.00 H new ATOM 0 HE21 GLN A 63 6.833 12.722 10.673 1.00 0.00 H new ATOM 0 HE22 GLN A 63 7.524 11.119 10.402 1.00 0.00 H new ATOM 930 N GLU A 64 1.878 12.723 6.829 1.00 0.00 N ATOM 931 CA GLU A 64 2.052 13.264 5.485 1.00 0.00 C ATOM 932 C GLU A 64 0.941 14.250 5.141 1.00 0.00 C ATOM 933 O GLU A 64 1.125 15.146 4.319 1.00 0.00 O ATOM 934 CB GLU A 64 2.084 12.138 4.451 1.00 0.00 C ATOM 935 CG GLU A 64 3.132 11.075 4.732 1.00 0.00 C ATOM 936 CD GLU A 64 4.507 11.664 4.961 1.00 0.00 C ATOM 937 OE1 GLU A 64 5.120 12.155 3.992 1.00 0.00 O ATOM 938 OE2 GLU A 64 4.981 11.641 6.116 1.00 0.00 O ATOM 0 H GLU A 64 1.484 11.783 6.859 1.00 0.00 H new ATOM 0 HA GLU A 64 3.004 13.794 5.463 1.00 0.00 H new ATOM 0 HB2 GLU A 64 1.103 11.665 4.412 1.00 0.00 H new ATOM 0 HB3 GLU A 64 2.270 12.567 3.466 1.00 0.00 H new ATOM 0 HG2 GLU A 64 2.836 10.500 5.609 1.00 0.00 H new ATOM 0 HG3 GLU A 64 3.173 10.379 3.894 1.00 0.00 H new ATOM 945 N GLY A 65 -0.209 14.075 5.776 1.00 0.00 N ATOM 946 CA GLY A 65 -1.337 14.946 5.523 1.00 0.00 C ATOM 947 C GLY A 65 -2.236 14.407 4.431 1.00 0.00 C ATOM 948 O GLY A 65 -2.634 15.142 3.526 1.00 0.00 O ATOM 0 H GLY A 65 -0.381 13.342 6.464 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -1.914 15.068 6.440 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -0.975 15.935 5.240 1.00 0.00 H new ATOM 952 N TRP A 66 -2.554 13.118 4.509 1.00 0.00 N ATOM 953 CA TRP A 66 -3.424 12.486 3.523 1.00 0.00 C ATOM 954 C TRP A 66 -4.873 12.896 3.750 1.00 0.00 C ATOM 955 O TRP A 66 -5.224 13.418 4.813 1.00 0.00 O ATOM 956 CB TRP A 66 -3.325 10.956 3.590 1.00 0.00 C ATOM 957 CG TRP A 66 -1.974 10.396 3.253 1.00 0.00 C ATOM 958 CD1 TRP A 66 -0.894 11.071 2.757 1.00 0.00 C ATOM 959 CD2 TRP A 66 -1.569 9.027 3.379 1.00 0.00 C ATOM 960 NE1 TRP A 66 0.159 10.205 2.578 1.00 0.00 N ATOM 961 CE2 TRP A 66 -0.231 8.945 2.952 1.00 0.00 C ATOM 962 CE3 TRP A 66 -2.209 7.860 3.817 1.00 0.00 C ATOM 963 CZ2 TRP A 66 0.478 7.747 2.956 1.00 0.00 C ATOM 964 CZ3 TRP A 66 -1.504 6.672 3.814 1.00 0.00 C ATOM 965 CH2 TRP A 66 -0.174 6.623 3.387 1.00 0.00 C ATOM 0 H TRP A 66 -2.223 12.492 5.243 1.00 0.00 H new ATOM 0 HA TRP A 66 -3.095 12.820 2.539 1.00 0.00 H new ATOM 0 HB2 TRP A 66 -3.596 10.632 4.595 1.00 0.00 H new ATOM 0 HB3 TRP A 66 -4.060 10.528 2.908 1.00 0.00 H new ATOM 0 HD1 TRP A 66 -0.871 12.128 2.538 1.00 0.00 H new ATOM 0 HE1 TRP A 66 1.081 10.459 2.224 1.00 0.00 H new ATOM 0 HE3 TRP A 66 -3.236 7.889 4.151 1.00 0.00 H new ATOM 0 HZ2 TRP A 66 1.507 7.706 2.630 1.00 0.00 H new ATOM 0 HZ3 TRP A 66 -1.989 5.766 4.147 1.00 0.00 H new ATOM 0 HH2 TRP A 66 0.350 5.679 3.397 1.00 0.00 H new ATOM 976 N ASN A 67 -5.707 12.663 2.752 1.00 0.00 N ATOM 977 CA ASN A 67 -7.133 12.931 2.869 1.00 0.00 C ATOM 978 C ASN A 67 -7.757 11.925 3.833 1.00 0.00 C ATOM 979 O ASN A 67 -7.552 10.723 3.678 1.00 0.00 O ATOM 980 CB ASN A 67 -7.791 12.837 1.487 1.00 0.00 C ATOM 981 CG ASN A 67 -9.258 13.232 1.489 1.00 0.00 C ATOM 982 OD1 ASN A 67 -9.695 14.057 2.285 1.00 0.00 O ATOM 983 ND2 ASN A 67 -10.028 12.653 0.584 1.00 0.00 N ATOM 0 H ASN A 67 -5.422 12.287 1.848 1.00 0.00 H new ATOM 0 HA ASN A 67 -7.291 13.937 3.258 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -7.251 13.479 0.791 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -7.698 11.816 1.117 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -11.019 12.888 0.532 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -9.631 11.971 -0.062 1.00 0.00 H new ATOM 990 N PRO A 68 -8.502 12.401 4.853 1.00 0.00 N ATOM 991 CA PRO A 68 -9.154 11.533 5.847 1.00 0.00 C ATOM 992 C PRO A 68 -9.868 10.337 5.219 1.00 0.00 C ATOM 993 O PRO A 68 -9.693 9.203 5.660 1.00 0.00 O ATOM 994 CB PRO A 68 -10.168 12.466 6.506 1.00 0.00 C ATOM 995 CG PRO A 68 -9.560 13.819 6.401 1.00 0.00 C ATOM 996 CD PRO A 68 -8.749 13.828 5.131 1.00 0.00 C ATOM 0 HA PRO A 68 -8.431 11.094 6.535 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -11.132 12.425 5.999 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -10.343 12.190 7.546 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -10.331 14.589 6.374 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -8.930 14.029 7.265 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -9.291 14.305 4.315 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -7.816 14.377 5.258 1.00 0.00 H new ATOM 1004 N GLU A 69 -10.655 10.604 4.178 1.00 0.00 N ATOM 1005 CA GLU A 69 -11.395 9.561 3.467 1.00 0.00 C ATOM 1006 C GLU A 69 -10.472 8.469 2.941 1.00 0.00 C ATOM 1007 O GLU A 69 -10.838 7.294 2.899 1.00 0.00 O ATOM 1008 CB GLU A 69 -12.175 10.181 2.312 1.00 0.00 C ATOM 1009 CG GLU A 69 -13.602 10.528 2.676 1.00 0.00 C ATOM 1010 CD GLU A 69 -14.461 9.290 2.829 1.00 0.00 C ATOM 1011 OE1 GLU A 69 -14.430 8.666 3.907 1.00 0.00 O ATOM 1012 OE2 GLU A 69 -15.161 8.927 1.864 1.00 0.00 O ATOM 0 H GLU A 69 -10.798 11.543 3.805 1.00 0.00 H new ATOM 0 HA GLU A 69 -12.084 9.099 4.174 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -11.662 11.083 1.978 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -12.180 9.487 1.471 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -13.612 11.095 3.607 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -14.027 11.172 1.906 1.00 0.00 H new ATOM 1019 N PHE A 70 -9.273 8.863 2.548 1.00 0.00 N ATOM 1020 CA PHE A 70 -8.301 7.922 2.035 1.00 0.00 C ATOM 1021 C PHE A 70 -7.775 7.049 3.163 1.00 0.00 C ATOM 1022 O PHE A 70 -7.938 5.832 3.142 1.00 0.00 O ATOM 1023 CB PHE A 70 -7.148 8.669 1.362 1.00 0.00 C ATOM 1024 CG PHE A 70 -6.153 7.763 0.693 1.00 0.00 C ATOM 1025 CD1 PHE A 70 -6.449 7.171 -0.524 1.00 0.00 C ATOM 1026 CD2 PHE A 70 -4.926 7.499 1.284 1.00 0.00 C ATOM 1027 CE1 PHE A 70 -5.541 6.334 -1.138 1.00 0.00 C ATOM 1028 CE2 PHE A 70 -4.016 6.662 0.673 1.00 0.00 C ATOM 1029 CZ PHE A 70 -4.325 6.079 -0.539 1.00 0.00 C ATOM 0 H PHE A 70 -8.952 9.831 2.576 1.00 0.00 H new ATOM 0 HA PHE A 70 -8.784 7.285 1.294 1.00 0.00 H new ATOM 0 HB2 PHE A 70 -7.555 9.357 0.621 1.00 0.00 H new ATOM 0 HB3 PHE A 70 -6.632 9.273 2.109 1.00 0.00 H new ATOM 0 HD1 PHE A 70 -7.400 7.367 -0.997 1.00 0.00 H new ATOM 0 HD2 PHE A 70 -4.681 7.954 2.232 1.00 0.00 H new ATOM 0 HE1 PHE A 70 -5.782 5.879 -2.087 1.00 0.00 H new ATOM 0 HE2 PHE A 70 -3.064 6.463 1.142 1.00 0.00 H new ATOM 0 HZ PHE A 70 -3.614 5.423 -1.019 1.00 0.00 H new ATOM 1039 N THR A 71 -7.177 7.684 4.165 1.00 0.00 N ATOM 1040 CA THR A 71 -6.571 6.973 5.286 1.00 0.00 C ATOM 1041 C THR A 71 -7.583 6.064 5.990 1.00 0.00 C ATOM 1042 O THR A 71 -7.269 4.924 6.328 1.00 0.00 O ATOM 1043 CB THR A 71 -5.978 7.971 6.297 1.00 0.00 C ATOM 1044 OG1 THR A 71 -5.132 8.901 5.610 1.00 0.00 O ATOM 1045 CG2 THR A 71 -5.175 7.254 7.371 1.00 0.00 C ATOM 0 H THR A 71 -7.099 8.699 4.224 1.00 0.00 H new ATOM 0 HA THR A 71 -5.774 6.347 4.884 1.00 0.00 H new ATOM 0 HB THR A 71 -6.801 8.499 6.779 1.00 0.00 H new ATOM 0 HG1 THR A 71 -4.755 9.537 6.253 1.00 0.00 H new ATOM 0 HG21 THR A 71 -4.769 7.985 8.070 1.00 0.00 H new ATOM 0 HG22 THR A 71 -5.822 6.560 7.907 1.00 0.00 H new ATOM 0 HG23 THR A 71 -4.357 6.703 6.907 1.00 0.00 H new ATOM 1053 N LYS A 72 -8.796 6.569 6.178 1.00 0.00 N ATOM 1054 CA LYS A 72 -9.853 5.829 6.860 1.00 0.00 C ATOM 1055 C LYS A 72 -10.217 4.553 6.093 1.00 0.00 C ATOM 1056 O LYS A 72 -10.256 3.453 6.660 1.00 0.00 O ATOM 1057 CB LYS A 72 -11.078 6.740 7.022 1.00 0.00 C ATOM 1058 CG LYS A 72 -12.236 6.131 7.796 1.00 0.00 C ATOM 1059 CD LYS A 72 -13.307 7.178 8.071 1.00 0.00 C ATOM 1060 CE LYS A 72 -14.552 6.579 8.706 1.00 0.00 C ATOM 1061 NZ LYS A 72 -15.263 5.659 7.783 1.00 0.00 N ATOM 0 H LYS A 72 -9.075 7.499 5.864 1.00 0.00 H new ATOM 0 HA LYS A 72 -9.498 5.523 7.844 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -10.767 7.656 7.525 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -11.433 7.025 6.032 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -12.665 5.305 7.229 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -11.874 5.718 8.737 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -12.900 7.946 8.729 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -13.579 7.670 7.137 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -14.273 6.039 9.611 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -15.226 7.381 9.008 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -16.208 5.447 8.163 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -15.358 6.108 6.850 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -14.722 4.776 7.688 1.00 0.00 H new ATOM 1075 N LYS A 73 -10.459 4.697 4.795 1.00 0.00 N ATOM 1076 CA LYS A 73 -10.860 3.569 3.971 1.00 0.00 C ATOM 1077 C LYS A 73 -9.695 2.616 3.717 1.00 0.00 C ATOM 1078 O LYS A 73 -9.866 1.400 3.772 1.00 0.00 O ATOM 1079 CB LYS A 73 -11.473 4.068 2.663 1.00 0.00 C ATOM 1080 CG LYS A 73 -12.886 4.602 2.847 1.00 0.00 C ATOM 1081 CD LYS A 73 -13.408 5.314 1.609 1.00 0.00 C ATOM 1082 CE LYS A 73 -14.881 5.654 1.769 1.00 0.00 C ATOM 1083 NZ LYS A 73 -15.382 6.545 0.693 1.00 0.00 N ATOM 0 H LYS A 73 -10.384 5.582 4.294 1.00 0.00 H new ATOM 0 HA LYS A 73 -11.617 3.001 4.511 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -10.843 4.854 2.247 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -11.487 3.254 1.939 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -13.553 3.776 3.095 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -12.903 5.290 3.692 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -12.835 6.226 1.438 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -13.268 4.681 0.733 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -15.464 4.733 1.774 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -15.036 6.134 2.735 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -16.420 6.491 0.652 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -15.094 7.525 0.891 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -14.984 6.245 -0.220 1.00 0.00 H new ATOM 1097 N VAL A 74 -8.505 3.161 3.468 1.00 0.00 N ATOM 1098 CA VAL A 74 -7.329 2.323 3.234 1.00 0.00 C ATOM 1099 C VAL A 74 -6.985 1.516 4.482 1.00 0.00 C ATOM 1100 O VAL A 74 -6.562 0.365 4.384 1.00 0.00 O ATOM 1101 CB VAL A 74 -6.091 3.146 2.794 1.00 0.00 C ATOM 1102 CG1 VAL A 74 -4.863 2.254 2.655 1.00 0.00 C ATOM 1103 CG2 VAL A 74 -6.359 3.862 1.483 1.00 0.00 C ATOM 0 H VAL A 74 -8.330 4.165 3.423 1.00 0.00 H new ATOM 0 HA VAL A 74 -7.588 1.648 2.418 1.00 0.00 H new ATOM 0 HB VAL A 74 -5.896 3.889 3.568 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -4.009 2.856 2.345 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -4.646 1.782 3.613 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -5.055 1.485 1.907 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -5.477 4.433 1.193 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -6.587 3.130 0.709 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -7.205 4.538 1.604 1.00 0.00 H new ATOM 1113 N ALA A 75 -7.180 2.115 5.656 1.00 0.00 N ATOM 1114 CA ALA A 75 -6.960 1.415 6.915 1.00 0.00 C ATOM 1115 C ALA A 75 -7.865 0.192 7.001 1.00 0.00 C ATOM 1116 O ALA A 75 -7.431 -0.886 7.408 1.00 0.00 O ATOM 1117 CB ALA A 75 -7.201 2.340 8.101 1.00 0.00 C ATOM 0 H ALA A 75 -7.489 3.082 5.759 1.00 0.00 H new ATOM 0 HA ALA A 75 -5.921 1.087 6.948 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -7.030 1.794 9.029 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -6.517 3.187 8.047 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -8.229 2.702 8.077 1.00 0.00 H new ATOM 1123 N GLY A 76 -9.122 0.370 6.599 1.00 0.00 N ATOM 1124 CA GLY A 76 -10.049 -0.746 6.551 1.00 0.00 C ATOM 1125 C GLY A 76 -9.579 -1.844 5.615 1.00 0.00 C ATOM 1126 O GLY A 76 -9.680 -3.031 5.938 1.00 0.00 O ATOM 0 H GLY A 76 -9.513 1.266 6.307 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -10.174 -1.155 7.554 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -11.027 -0.390 6.228 1.00 0.00 H new ATOM 1130 N TRP A 77 -9.051 -1.453 4.457 1.00 0.00 N ATOM 1131 CA TRP A 77 -8.540 -2.416 3.484 1.00 0.00 C ATOM 1132 C TRP A 77 -7.322 -3.136 4.053 1.00 0.00 C ATOM 1133 O TRP A 77 -7.238 -4.362 4.008 1.00 0.00 O ATOM 1134 CB TRP A 77 -8.151 -1.733 2.167 1.00 0.00 C ATOM 1135 CG TRP A 77 -9.225 -0.866 1.585 1.00 0.00 C ATOM 1136 CD1 TRP A 77 -10.568 -0.960 1.800 1.00 0.00 C ATOM 1137 CD2 TRP A 77 -9.040 0.226 0.675 1.00 0.00 C ATOM 1138 NE1 TRP A 77 -11.226 0.021 1.104 1.00 0.00 N ATOM 1139 CE2 TRP A 77 -10.311 0.760 0.400 1.00 0.00 C ATOM 1140 CE3 TRP A 77 -7.920 0.810 0.071 1.00 0.00 C ATOM 1141 CZ2 TRP A 77 -10.495 1.847 -0.450 1.00 0.00 C ATOM 1142 CZ3 TRP A 77 -8.103 1.888 -0.774 1.00 0.00 C ATOM 1143 CH2 TRP A 77 -9.382 2.398 -1.027 1.00 0.00 C ATOM 0 H TRP A 77 -8.966 -0.478 4.170 1.00 0.00 H new ATOM 0 HA TRP A 77 -9.336 -3.132 3.280 1.00 0.00 H new ATOM 0 HB2 TRP A 77 -7.261 -1.127 2.334 1.00 0.00 H new ATOM 0 HB3 TRP A 77 -7.883 -2.499 1.439 1.00 0.00 H new ATOM 0 HD1 TRP A 77 -11.044 -1.699 2.427 1.00 0.00 H new ATOM 0 HE1 TRP A 77 -12.234 0.176 1.109 1.00 0.00 H new ATOM 0 HE3 TRP A 77 -6.929 0.424 0.262 1.00 0.00 H new ATOM 0 HZ2 TRP A 77 -11.481 2.242 -0.647 1.00 0.00 H new ATOM 0 HZ3 TRP A 77 -7.246 2.344 -1.247 1.00 0.00 H new ATOM 0 HH2 TRP A 77 -9.493 3.243 -1.690 1.00 0.00 H new ATOM 1154 N ALA A 78 -6.388 -2.359 4.600 1.00 0.00 N ATOM 1155 CA ALA A 78 -5.150 -2.900 5.155 1.00 0.00 C ATOM 1156 C ALA A 78 -5.439 -3.916 6.251 1.00 0.00 C ATOM 1157 O ALA A 78 -4.794 -4.961 6.319 1.00 0.00 O ATOM 1158 CB ALA A 78 -4.269 -1.777 5.687 1.00 0.00 C ATOM 0 H ALA A 78 -6.468 -1.345 4.670 1.00 0.00 H new ATOM 0 HA ALA A 78 -4.616 -3.412 4.354 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -3.351 -2.198 6.097 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -4.023 -1.092 4.876 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -4.801 -1.237 6.470 1.00 0.00 H new ATOM 1164 N GLU A 79 -6.416 -3.607 7.092 1.00 0.00 N ATOM 1165 CA GLU A 79 -6.850 -4.510 8.150 1.00 0.00 C ATOM 1166 C GLU A 79 -7.286 -5.859 7.568 1.00 0.00 C ATOM 1167 O GLU A 79 -6.850 -6.920 8.020 1.00 0.00 O ATOM 1168 CB GLU A 79 -8.004 -3.867 8.923 1.00 0.00 C ATOM 1169 CG GLU A 79 -8.529 -4.702 10.078 1.00 0.00 C ATOM 1170 CD GLU A 79 -7.495 -4.912 11.168 1.00 0.00 C ATOM 1171 OE1 GLU A 79 -7.241 -3.967 11.942 1.00 0.00 O ATOM 1172 OE2 GLU A 79 -6.950 -6.031 11.272 1.00 0.00 O ATOM 0 H GLU A 79 -6.929 -2.726 7.061 1.00 0.00 H new ATOM 0 HA GLU A 79 -6.015 -4.690 8.827 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -7.674 -2.903 9.309 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -8.823 -3.670 8.231 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -9.406 -4.214 10.504 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -8.855 -5.671 9.701 1.00 0.00 H new ATOM 1179 N LYS A 80 -8.121 -5.803 6.538 1.00 0.00 N ATOM 1180 CA LYS A 80 -8.660 -7.006 5.917 1.00 0.00 C ATOM 1181 C LYS A 80 -7.574 -7.789 5.179 1.00 0.00 C ATOM 1182 O LYS A 80 -7.530 -9.020 5.246 1.00 0.00 O ATOM 1183 CB LYS A 80 -9.798 -6.641 4.964 1.00 0.00 C ATOM 1184 CG LYS A 80 -10.959 -5.963 5.666 1.00 0.00 C ATOM 1185 CD LYS A 80 -12.072 -5.595 4.702 1.00 0.00 C ATOM 1186 CE LYS A 80 -13.232 -4.948 5.443 1.00 0.00 C ATOM 1187 NZ LYS A 80 -14.359 -4.603 4.535 1.00 0.00 N ATOM 0 H LYS A 80 -8.441 -4.932 6.113 1.00 0.00 H new ATOM 0 HA LYS A 80 -9.050 -7.648 6.707 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -9.416 -5.982 4.185 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -10.156 -7.544 4.470 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -11.352 -6.625 6.438 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -10.603 -5.064 6.169 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -11.692 -4.911 3.943 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -12.419 -6.488 4.181 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -13.588 -5.626 6.219 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -12.882 -4.045 5.944 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -15.126 -4.165 5.084 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -14.028 -3.936 3.809 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -14.712 -5.467 4.076 1.00 0.00 H new ATOM 1201 N VAL A 81 -6.690 -7.073 4.491 1.00 0.00 N ATOM 1202 CA VAL A 81 -5.594 -7.706 3.765 1.00 0.00 C ATOM 1203 C VAL A 81 -4.588 -8.321 4.739 1.00 0.00 C ATOM 1204 O VAL A 81 -4.017 -9.378 4.469 1.00 0.00 O ATOM 1205 CB VAL A 81 -4.874 -6.708 2.825 1.00 0.00 C ATOM 1206 CG1 VAL A 81 -3.727 -7.387 2.090 1.00 0.00 C ATOM 1207 CG2 VAL A 81 -5.858 -6.117 1.826 1.00 0.00 C ATOM 0 H VAL A 81 -6.711 -6.056 4.421 1.00 0.00 H new ATOM 0 HA VAL A 81 -6.027 -8.495 3.150 1.00 0.00 H new ATOM 0 HB VAL A 81 -4.464 -5.903 3.435 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -3.237 -6.666 1.436 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -3.007 -7.769 2.813 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -4.115 -8.213 1.494 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -5.337 -5.417 1.172 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -6.294 -6.917 1.228 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -6.649 -5.592 2.362 1.00 0.00 H new ATOM 1217 N ALA A 82 -4.388 -7.668 5.879 1.00 0.00 N ATOM 1218 CA ALA A 82 -3.494 -8.183 6.908 1.00 0.00 C ATOM 1219 C ALA A 82 -4.072 -9.439 7.543 1.00 0.00 C ATOM 1220 O ALA A 82 -3.340 -10.389 7.844 1.00 0.00 O ATOM 1221 CB ALA A 82 -3.234 -7.127 7.969 1.00 0.00 C ATOM 0 H ALA A 82 -4.833 -6.781 6.113 1.00 0.00 H new ATOM 0 HA ALA A 82 -2.546 -8.440 6.436 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -2.564 -7.531 8.728 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -2.774 -6.253 7.508 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -4.177 -6.838 8.434 1.00 0.00 H new ATOM 1227 N SER A 83 -5.386 -9.441 7.738 1.00 0.00 N ATOM 1228 CA SER A 83 -6.083 -10.599 8.281 1.00 0.00 C ATOM 1229 C SER A 83 -6.092 -11.740 7.261 1.00 0.00 C ATOM 1230 O SER A 83 -6.264 -12.907 7.617 1.00 0.00 O ATOM 1231 CB SER A 83 -7.518 -10.215 8.667 1.00 0.00 C ATOM 1232 OG SER A 83 -8.203 -11.298 9.276 1.00 0.00 O ATOM 0 H SER A 83 -5.992 -8.648 7.526 1.00 0.00 H new ATOM 0 HA SER A 83 -5.559 -10.939 9.174 1.00 0.00 H new ATOM 0 HB2 SER A 83 -7.497 -9.367 9.351 1.00 0.00 H new ATOM 0 HB3 SER A 83 -8.061 -9.894 7.778 1.00 0.00 H new ATOM 0 HG SER A 83 -9.113 -11.019 9.511 1.00 0.00 H new ATOM 1238 N GLY A 84 -5.899 -11.396 5.992 1.00 0.00 N ATOM 1239 CA GLY A 84 -5.860 -12.401 4.948 1.00 0.00 C ATOM 1240 C GLY A 84 -7.234 -12.708 4.402 1.00 0.00 C ATOM 1241 O GLY A 84 -7.537 -13.854 4.065 1.00 0.00 O ATOM 0 H GLY A 84 -5.769 -10.437 5.668 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -5.217 -12.056 4.138 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -5.415 -13.315 5.342 1.00 0.00 H new ATOM 1245 N ASN A 85 -8.072 -11.686 4.327 1.00 0.00 N ATOM 1246 CA ASN A 85 -9.420 -11.849 3.799 1.00 0.00 C ATOM 1247 C ASN A 85 -9.447 -11.534 2.314 1.00 0.00 C ATOM 1248 O ASN A 85 -8.416 -11.218 1.713 1.00 0.00 O ATOM 1249 CB ASN A 85 -10.411 -10.938 4.525 1.00 0.00 C ATOM 1250 CG ASN A 85 -10.445 -11.173 6.024 1.00 0.00 C ATOM 1251 OD1 ASN A 85 -10.158 -12.270 6.500 1.00 0.00 O ATOM 1252 ND2 ASN A 85 -10.813 -10.152 6.780 1.00 0.00 N ATOM 0 H ASN A 85 -7.845 -10.737 4.624 1.00 0.00 H new ATOM 0 HA ASN A 85 -9.714 -12.886 3.959 1.00 0.00 H new ATOM 0 HB2 ASN A 85 -10.148 -9.898 4.332 1.00 0.00 H new ATOM 0 HB3 ASN A 85 -11.409 -11.096 4.115 1.00 0.00 H new ATOM 0 HD21 ASN A 85 -10.866 -10.260 7.793 1.00 0.00 H new ATOM 0 HD22 ASN A 85 -11.044 -9.256 6.350 1.00 0.00 H new ATOM 1259 N ARG A 86 -10.629 -11.610 1.726 1.00 0.00 N ATOM 1260 CA ARG A 86 -10.797 -11.308 0.319 1.00 0.00 C ATOM 1261 C ARG A 86 -11.596 -10.025 0.165 1.00 0.00 C ATOM 1262 O ARG A 86 -12.571 -9.796 0.882 1.00 0.00 O ATOM 1263 CB ARG A 86 -11.487 -12.468 -0.386 1.00 0.00 C ATOM 1264 CG ARG A 86 -10.778 -13.787 -0.161 1.00 0.00 C ATOM 1265 CD ARG A 86 -11.525 -14.939 -0.808 1.00 0.00 C ATOM 1266 NE ARG A 86 -10.933 -16.242 -0.491 1.00 0.00 N ATOM 1267 CZ ARG A 86 -11.427 -17.403 -0.923 1.00 0.00 C ATOM 1268 NH1 ARG A 86 -12.490 -17.417 -1.718 1.00 0.00 N ATOM 1269 NH2 ARG A 86 -10.857 -18.546 -0.567 1.00 0.00 N ATOM 0 H ARG A 86 -11.488 -11.880 2.205 1.00 0.00 H new ATOM 0 HA ARG A 86 -9.819 -11.166 -0.142 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -12.514 -12.546 -0.030 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -11.535 -12.263 -1.455 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -9.768 -13.732 -0.568 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -10.681 -13.971 0.909 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -12.564 -14.926 -0.477 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -11.533 -14.801 -1.889 1.00 0.00 H new ATOM 0 HE ARG A 86 -10.097 -16.262 0.093 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -12.929 -16.540 -1.998 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -12.868 -18.305 -2.049 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -10.037 -18.540 0.040 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -11.238 -19.431 -0.900 1.00 0.00 H new ATOM 1283 N ILE A 87 -11.176 -9.190 -0.767 1.00 0.00 N ATOM 1284 CA ILE A 87 -11.750 -7.862 -0.909 1.00 0.00 C ATOM 1285 C ILE A 87 -12.364 -7.666 -2.288 1.00 0.00 C ATOM 1286 O ILE A 87 -11.925 -8.269 -3.267 1.00 0.00 O ATOM 1287 CB ILE A 87 -10.690 -6.760 -0.669 1.00 0.00 C ATOM 1288 CG1 ILE A 87 -9.551 -6.871 -1.691 1.00 0.00 C ATOM 1289 CG2 ILE A 87 -10.138 -6.854 0.747 1.00 0.00 C ATOM 1290 CD1 ILE A 87 -8.513 -5.770 -1.576 1.00 0.00 C ATOM 0 H ILE A 87 -10.439 -9.407 -1.438 1.00 0.00 H new ATOM 0 HA ILE A 87 -12.532 -7.778 -0.154 1.00 0.00 H new ATOM 0 HB ILE A 87 -11.171 -5.790 -0.794 1.00 0.00 H new ATOM 0 HG12 ILE A 87 -9.058 -7.836 -1.568 1.00 0.00 H new ATOM 0 HG13 ILE A 87 -9.974 -6.855 -2.695 1.00 0.00 H new ATOM 0 HG21 ILE A 87 -9.394 -6.072 0.900 1.00 0.00 H new ATOM 0 HG22 ILE A 87 -10.950 -6.727 1.463 1.00 0.00 H new ATOM 0 HG23 ILE A 87 -9.675 -7.830 0.893 1.00 0.00 H new ATOM 0 HD11 ILE A 87 -7.741 -5.917 -2.331 1.00 0.00 H new ATOM 0 HD12 ILE A 87 -8.991 -4.802 -1.729 1.00 0.00 H new ATOM 0 HD13 ILE A 87 -8.061 -5.798 -0.585 1.00 0.00 H new ATOM 1302 N LEU A 88 -13.386 -6.825 -2.359 1.00 0.00 N ATOM 1303 CA LEU A 88 -13.991 -6.479 -3.633 1.00 0.00 C ATOM 1304 C LEU A 88 -13.150 -5.422 -4.330 1.00 0.00 C ATOM 1305 O LEU A 88 -13.192 -4.241 -3.983 1.00 0.00 O ATOM 1306 CB LEU A 88 -15.429 -5.983 -3.459 1.00 0.00 C ATOM 1307 CG LEU A 88 -16.454 -7.059 -3.092 1.00 0.00 C ATOM 1308 CD1 LEU A 88 -16.389 -7.399 -1.609 1.00 0.00 C ATOM 1309 CD2 LEU A 88 -17.850 -6.608 -3.483 1.00 0.00 C ATOM 0 H LEU A 88 -13.811 -6.372 -1.550 1.00 0.00 H new ATOM 0 HA LEU A 88 -14.026 -7.379 -4.247 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -15.440 -5.216 -2.685 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -15.745 -5.505 -4.386 1.00 0.00 H new ATOM 0 HG LEU A 88 -16.212 -7.965 -3.648 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -17.129 -8.166 -1.379 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -15.394 -7.770 -1.364 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -16.598 -6.505 -1.021 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -18.570 -7.382 -3.217 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -18.096 -5.686 -2.955 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -17.888 -6.432 -4.558 1.00 0.00 H new ATOM 1321 N ILE A 89 -12.373 -5.868 -5.296 1.00 0.00 N ATOM 1322 CA ILE A 89 -11.451 -5.000 -6.009 1.00 0.00 C ATOM 1323 C ILE A 89 -12.124 -4.366 -7.230 1.00 0.00 C ATOM 1324 O ILE A 89 -12.473 -3.190 -7.196 1.00 0.00 O ATOM 1325 CB ILE A 89 -10.136 -5.770 -6.380 1.00 0.00 C ATOM 1326 CG1 ILE A 89 -9.338 -5.046 -7.469 1.00 0.00 C ATOM 1327 CG2 ILE A 89 -10.403 -7.222 -6.785 1.00 0.00 C ATOM 1328 CD1 ILE A 89 -8.074 -5.780 -7.880 1.00 0.00 C ATOM 0 H ILE A 89 -12.361 -6.838 -5.610 1.00 0.00 H new ATOM 0 HA ILE A 89 -11.165 -4.181 -5.349 1.00 0.00 H new ATOM 0 HB ILE A 89 -9.532 -5.789 -5.473 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -9.972 -4.912 -8.345 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -9.072 -4.051 -7.113 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -9.460 -7.710 -7.032 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -10.879 -7.749 -5.958 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -11.061 -7.242 -7.654 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -7.558 -5.211 -8.654 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -7.420 -5.891 -7.015 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -8.335 -6.765 -8.266 1.00 0.00 H new ATOM 1340 N LYS A 90 -12.370 -5.183 -8.244 1.00 0.00 N ATOM 1341 CA LYS A 90 -12.868 -4.777 -9.565 1.00 0.00 C ATOM 1342 C LYS A 90 -12.879 -6.037 -10.389 1.00 0.00 C ATOM 1343 O LYS A 90 -13.900 -6.521 -10.873 1.00 0.00 O ATOM 1344 CB LYS A 90 -11.926 -3.789 -10.296 1.00 0.00 C ATOM 1345 CG LYS A 90 -11.886 -2.367 -9.766 1.00 0.00 C ATOM 1346 CD LYS A 90 -13.235 -1.690 -9.867 1.00 0.00 C ATOM 1347 CE LYS A 90 -13.185 -0.296 -9.268 1.00 0.00 C ATOM 1348 NZ LYS A 90 -12.836 -0.333 -7.826 1.00 0.00 N ATOM 0 H LYS A 90 -12.224 -6.190 -8.173 1.00 0.00 H new ATOM 0 HA LYS A 90 -13.834 -4.288 -9.442 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -10.915 -4.194 -10.261 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -12.219 -3.753 -11.345 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -11.561 -2.376 -8.726 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -11.148 -1.792 -10.325 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -13.540 -1.631 -10.912 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -13.986 -2.287 -9.349 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -12.451 0.305 -9.805 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -14.152 0.191 -9.397 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -13.599 0.107 -7.273 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -12.714 -1.321 -7.524 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -11.950 0.189 -7.670 1.00 0.00 H new ATOM 1362 N ASN A 91 -11.674 -6.555 -10.472 1.00 0.00 N ATOM 1363 CA ASN A 91 -11.316 -7.741 -11.198 1.00 0.00 C ATOM 1364 C ASN A 91 -9.896 -8.054 -10.766 1.00 0.00 C ATOM 1365 O ASN A 91 -9.102 -7.132 -10.584 1.00 0.00 O ATOM 1366 CB ASN A 91 -11.408 -7.534 -12.722 1.00 0.00 C ATOM 1367 CG ASN A 91 -11.123 -6.105 -13.136 1.00 0.00 C ATOM 1368 OD1 ASN A 91 -12.040 -5.308 -13.324 1.00 0.00 O ATOM 1369 ND2 ASN A 91 -9.859 -5.758 -13.256 1.00 0.00 N ATOM 0 H ASN A 91 -10.874 -6.130 -10.004 1.00 0.00 H new ATOM 0 HA ASN A 91 -11.999 -8.562 -10.982 1.00 0.00 H new ATOM 0 HB2 ASN A 91 -10.702 -8.199 -13.218 1.00 0.00 H new ATOM 0 HB3 ASN A 91 -12.404 -7.815 -13.063 1.00 0.00 H new ATOM 0 HD21 ASN A 91 -9.615 -4.801 -13.512 1.00 0.00 H new ATOM 0 HD22 ASN A 91 -9.124 -6.446 -13.092 1.00 0.00 H new ATOM 1376 N PRO A 92 -9.563 -9.325 -10.553 1.00 0.00 N ATOM 1377 CA PRO A 92 -8.277 -9.732 -9.955 1.00 0.00 C ATOM 1378 C PRO A 92 -7.057 -9.455 -10.845 1.00 0.00 C ATOM 1379 O PRO A 92 -6.013 -10.086 -10.696 1.00 0.00 O ATOM 1380 CB PRO A 92 -8.433 -11.236 -9.730 1.00 0.00 C ATOM 1381 CG PRO A 92 -9.874 -11.553 -9.974 1.00 0.00 C ATOM 1382 CD PRO A 92 -10.410 -10.474 -10.869 1.00 0.00 C ATOM 0 HA PRO A 92 -8.083 -9.160 -9.047 1.00 0.00 H new ATOM 0 HB2 PRO A 92 -7.791 -11.799 -10.408 1.00 0.00 H new ATOM 0 HB3 PRO A 92 -8.142 -11.509 -8.716 1.00 0.00 H new ATOM 0 HG2 PRO A 92 -9.981 -12.532 -10.442 1.00 0.00 H new ATOM 0 HG3 PRO A 92 -10.427 -11.587 -9.035 1.00 0.00 H new ATOM 0 HD2 PRO A 92 -10.337 -10.750 -11.921 1.00 0.00 H new ATOM 0 HD3 PRO A 92 -11.461 -10.267 -10.666 1.00 0.00 H new ATOM 1390 N GLU A 93 -7.192 -8.496 -11.745 1.00 0.00 N ATOM 1391 CA GLU A 93 -6.088 -8.049 -12.579 1.00 0.00 C ATOM 1392 C GLU A 93 -5.130 -7.191 -11.757 1.00 0.00 C ATOM 1393 O GLU A 93 -3.940 -7.118 -12.056 1.00 0.00 O ATOM 1394 CB GLU A 93 -6.633 -7.249 -13.766 1.00 0.00 C ATOM 1395 CG GLU A 93 -5.564 -6.708 -14.700 1.00 0.00 C ATOM 1396 CD GLU A 93 -6.150 -5.915 -15.845 1.00 0.00 C ATOM 1397 OE1 GLU A 93 -6.624 -6.539 -16.820 1.00 0.00 O ATOM 1398 OE2 GLU A 93 -6.149 -4.668 -15.776 1.00 0.00 O ATOM 0 H GLU A 93 -8.069 -8.005 -11.919 1.00 0.00 H new ATOM 0 HA GLU A 93 -5.544 -8.916 -12.955 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -7.310 -7.884 -14.337 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -7.223 -6.415 -13.386 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -4.879 -6.075 -14.136 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -4.979 -7.537 -15.097 1.00 0.00 H new ATOM 1405 N TYR A 94 -5.673 -6.564 -10.706 1.00 0.00 N ATOM 1406 CA TYR A 94 -4.923 -5.653 -9.838 1.00 0.00 C ATOM 1407 C TYR A 94 -4.527 -4.388 -10.589 1.00 0.00 C ATOM 1408 O TYR A 94 -5.149 -3.337 -10.429 1.00 0.00 O ATOM 1409 CB TYR A 94 -3.672 -6.324 -9.251 1.00 0.00 C ATOM 1410 CG TYR A 94 -3.960 -7.478 -8.318 1.00 0.00 C ATOM 1411 CD1 TYR A 94 -4.269 -7.254 -6.983 1.00 0.00 C ATOM 1412 CD2 TYR A 94 -3.917 -8.789 -8.771 1.00 0.00 C ATOM 1413 CE1 TYR A 94 -4.526 -8.306 -6.124 1.00 0.00 C ATOM 1414 CE2 TYR A 94 -4.176 -9.847 -7.921 1.00 0.00 C ATOM 1415 CZ TYR A 94 -4.478 -9.599 -6.597 1.00 0.00 C ATOM 1416 OH TYR A 94 -4.733 -10.650 -5.745 1.00 0.00 O ATOM 0 H TYR A 94 -6.650 -6.676 -10.434 1.00 0.00 H new ATOM 0 HA TYR A 94 -5.583 -5.385 -9.013 1.00 0.00 H new ATOM 0 HB2 TYR A 94 -3.049 -6.682 -10.070 1.00 0.00 H new ATOM 0 HB3 TYR A 94 -3.091 -5.574 -8.713 1.00 0.00 H new ATOM 0 HD1 TYR A 94 -4.309 -6.241 -6.610 1.00 0.00 H new ATOM 0 HD2 TYR A 94 -3.677 -8.986 -9.805 1.00 0.00 H new ATOM 0 HE1 TYR A 94 -4.763 -8.115 -5.088 1.00 0.00 H new ATOM 0 HE2 TYR A 94 -4.142 -10.861 -8.290 1.00 0.00 H new ATOM 0 HH TYR A 94 -4.659 -11.495 -6.236 1.00 0.00 H new ATOM 1426 N PHE A 95 -3.498 -4.506 -11.413 1.00 0.00 N ATOM 1427 CA PHE A 95 -2.977 -3.390 -12.185 1.00 0.00 C ATOM 1428 C PHE A 95 -1.964 -3.900 -13.204 1.00 0.00 C ATOM 1429 O PHE A 95 -1.787 -5.109 -13.352 1.00 0.00 O ATOM 1430 CB PHE A 95 -2.343 -2.331 -11.268 1.00 0.00 C ATOM 1431 CG PHE A 95 -1.362 -2.884 -10.271 1.00 0.00 C ATOM 1432 CD1 PHE A 95 -0.050 -3.127 -10.629 1.00 0.00 C ATOM 1433 CD2 PHE A 95 -1.755 -3.152 -8.971 1.00 0.00 C ATOM 1434 CE1 PHE A 95 0.853 -3.625 -9.714 1.00 0.00 C ATOM 1435 CE2 PHE A 95 -0.856 -3.654 -8.052 1.00 0.00 C ATOM 1436 CZ PHE A 95 0.451 -3.891 -8.424 1.00 0.00 C ATOM 0 H PHE A 95 -2.999 -5.382 -11.566 1.00 0.00 H new ATOM 0 HA PHE A 95 -3.803 -2.914 -12.713 1.00 0.00 H new ATOM 0 HB2 PHE A 95 -1.837 -1.589 -11.885 1.00 0.00 H new ATOM 0 HB3 PHE A 95 -3.136 -1.811 -10.730 1.00 0.00 H new ATOM 0 HD1 PHE A 95 0.273 -2.924 -11.639 1.00 0.00 H new ATOM 0 HD2 PHE A 95 -2.776 -2.966 -8.673 1.00 0.00 H new ATOM 0 HE1 PHE A 95 1.876 -3.807 -10.009 1.00 0.00 H new ATOM 0 HE2 PHE A 95 -1.176 -3.861 -7.041 1.00 0.00 H new ATOM 0 HZ PHE A 95 1.156 -4.284 -7.706 1.00 0.00 H new ATOM 1446 N SER A 96 -1.305 -2.987 -13.899 1.00 0.00 N ATOM 1447 CA SER A 96 -0.366 -3.360 -14.943 1.00 0.00 C ATOM 1448 C SER A 96 0.952 -3.869 -14.355 1.00 0.00 C ATOM 1449 O SER A 96 1.324 -3.515 -13.238 1.00 0.00 O ATOM 1450 CB SER A 96 -0.133 -2.162 -15.860 1.00 0.00 C ATOM 1451 OG SER A 96 -1.374 -1.638 -16.302 1.00 0.00 O ATOM 0 H SER A 96 -1.404 -1.982 -13.758 1.00 0.00 H new ATOM 0 HA SER A 96 -0.791 -4.179 -15.523 1.00 0.00 H new ATOM 0 HB2 SER A 96 0.428 -1.392 -15.330 1.00 0.00 H new ATOM 0 HB3 SER A 96 0.470 -2.462 -16.717 1.00 0.00 H new ATOM 0 HG SER A 96 -1.214 -0.869 -16.888 1.00 0.00 H new ATOM 1457 N THR A 97 1.655 -4.689 -15.129 1.00 0.00 N ATOM 1458 CA THR A 97 2.885 -5.336 -14.679 1.00 0.00 C ATOM 1459 C THR A 97 3.942 -4.307 -14.280 1.00 0.00 C ATOM 1460 O THR A 97 4.823 -4.591 -13.466 1.00 0.00 O ATOM 1461 CB THR A 97 3.437 -6.265 -15.786 1.00 0.00 C ATOM 1462 OG1 THR A 97 3.893 -7.499 -15.216 1.00 0.00 O ATOM 1463 CG2 THR A 97 4.581 -5.629 -16.569 1.00 0.00 C ATOM 0 H THR A 97 1.390 -4.924 -16.085 1.00 0.00 H new ATOM 0 HA THR A 97 2.646 -5.932 -13.798 1.00 0.00 H new ATOM 0 HB THR A 97 2.615 -6.446 -16.479 1.00 0.00 H new ATOM 0 HG1 THR A 97 4.238 -8.079 -15.926 1.00 0.00 H new ATOM 0 HG21 THR A 97 4.930 -6.324 -17.333 1.00 0.00 H new ATOM 0 HG22 THR A 97 4.231 -4.713 -17.045 1.00 0.00 H new ATOM 0 HG23 THR A 97 5.401 -5.395 -15.890 1.00 0.00 H new ATOM 1471 N TYR A 98 3.832 -3.119 -14.870 1.00 0.00 N ATOM 1472 CA TYR A 98 4.745 -2.009 -14.595 1.00 0.00 C ATOM 1473 C TYR A 98 5.040 -1.857 -13.101 1.00 0.00 C ATOM 1474 O TYR A 98 6.197 -1.896 -12.693 1.00 0.00 O ATOM 1475 CB TYR A 98 4.179 -0.691 -15.143 1.00 0.00 C ATOM 1476 CG TYR A 98 4.921 0.535 -14.644 1.00 0.00 C ATOM 1477 CD1 TYR A 98 6.153 0.894 -15.173 1.00 0.00 C ATOM 1478 CD2 TYR A 98 4.394 1.317 -13.620 1.00 0.00 C ATOM 1479 CE1 TYR A 98 6.840 1.994 -14.696 1.00 0.00 C ATOM 1480 CE2 TYR A 98 5.072 2.421 -13.144 1.00 0.00 C ATOM 1481 CZ TYR A 98 6.294 2.754 -13.681 1.00 0.00 C ATOM 1482 OH TYR A 98 6.983 3.840 -13.191 1.00 0.00 O ATOM 0 H TYR A 98 3.107 -2.897 -15.553 1.00 0.00 H new ATOM 0 HA TYR A 98 5.682 -2.242 -15.100 1.00 0.00 H new ATOM 0 HB2 TYR A 98 4.218 -0.712 -16.232 1.00 0.00 H new ATOM 0 HB3 TYR A 98 3.129 -0.610 -14.863 1.00 0.00 H new ATOM 0 HD1 TYR A 98 6.581 0.304 -15.970 1.00 0.00 H new ATOM 0 HD2 TYR A 98 3.438 1.055 -13.191 1.00 0.00 H new ATOM 0 HE1 TYR A 98 7.800 2.258 -15.115 1.00 0.00 H new ATOM 0 HE2 TYR A 98 4.645 3.021 -12.354 1.00 0.00 H new ATOM 0 HH TYR A 98 6.459 4.266 -12.481 1.00 0.00 H new ATOM 1492 N MET A 99 3.996 -1.696 -12.291 1.00 0.00 N ATOM 1493 CA MET A 99 4.178 -1.431 -10.864 1.00 0.00 C ATOM 1494 C MET A 99 4.849 -2.612 -10.168 1.00 0.00 C ATOM 1495 O MET A 99 5.771 -2.425 -9.378 1.00 0.00 O ATOM 1496 CB MET A 99 2.848 -1.117 -10.174 1.00 0.00 C ATOM 1497 CG MET A 99 2.097 0.079 -10.740 1.00 0.00 C ATOM 1498 SD MET A 99 1.354 -0.246 -12.351 1.00 0.00 S ATOM 1499 CE MET A 99 0.416 1.259 -12.599 1.00 0.00 C ATOM 0 H MET A 99 3.023 -1.744 -12.594 1.00 0.00 H new ATOM 0 HA MET A 99 4.824 -0.556 -10.784 1.00 0.00 H new ATOM 0 HB2 MET A 99 2.205 -1.995 -10.240 1.00 0.00 H new ATOM 0 HB3 MET A 99 3.038 -0.940 -9.115 1.00 0.00 H new ATOM 0 HG2 MET A 99 1.316 0.374 -10.040 1.00 0.00 H new ATOM 0 HG3 MET A 99 2.782 0.922 -10.827 1.00 0.00 H new ATOM 0 HE1 MET A 99 -0.103 1.211 -13.557 1.00 0.00 H new ATOM 0 HE2 MET A 99 -0.313 1.370 -11.797 1.00 0.00 H new ATOM 0 HE3 MET A 99 1.092 2.114 -12.595 1.00 0.00 H new ATOM 1509 N GLN A 100 4.388 -3.824 -10.474 1.00 0.00 N ATOM 1510 CA GLN A 100 4.954 -5.036 -9.879 1.00 0.00 C ATOM 1511 C GLN A 100 6.446 -5.123 -10.169 1.00 0.00 C ATOM 1512 O GLN A 100 7.260 -5.313 -9.266 1.00 0.00 O ATOM 1513 CB GLN A 100 4.261 -6.288 -10.429 1.00 0.00 C ATOM 1514 CG GLN A 100 2.783 -6.388 -10.083 1.00 0.00 C ATOM 1515 CD GLN A 100 2.111 -7.595 -10.713 1.00 0.00 C ATOM 1516 OE1 GLN A 100 2.594 -8.003 -11.877 1.00 0.00 O flip ATOM 1517 NE2 GLN A 100 1.161 -8.151 -10.165 1.00 0.00 N flip ATOM 0 H GLN A 100 3.625 -3.994 -11.129 1.00 0.00 H new ATOM 0 HA GLN A 100 4.795 -4.984 -8.802 1.00 0.00 H new ATOM 0 HB2 GLN A 100 4.370 -6.303 -11.513 1.00 0.00 H new ATOM 0 HB3 GLN A 100 4.773 -7.171 -10.045 1.00 0.00 H new ATOM 0 HG2 GLN A 100 2.671 -6.440 -9.000 1.00 0.00 H new ATOM 0 HG3 GLN A 100 2.275 -5.482 -10.413 1.00 0.00 H new ATOM 0 HE21 GLN A 100 0.817 -7.807 -9.268 1.00 0.00 H new ATOM 0 HE22 GLN A 100 0.717 -8.956 -10.607 1.00 0.00 H new ATOM 1526 N GLU A 101 6.788 -4.947 -11.435 1.00 0.00 N ATOM 1527 CA GLU A 101 8.162 -5.064 -11.896 1.00 0.00 C ATOM 1528 C GLU A 101 9.010 -3.903 -11.367 1.00 0.00 C ATOM 1529 O GLU A 101 10.187 -4.074 -11.047 1.00 0.00 O ATOM 1530 CB GLU A 101 8.171 -5.102 -13.425 1.00 0.00 C ATOM 1531 CG GLU A 101 9.509 -5.473 -14.034 1.00 0.00 C ATOM 1532 CD GLU A 101 9.414 -5.663 -15.532 1.00 0.00 C ATOM 1533 OE1 GLU A 101 9.468 -4.655 -16.269 1.00 0.00 O ATOM 1534 OE2 GLU A 101 9.283 -6.820 -15.984 1.00 0.00 O ATOM 0 H GLU A 101 6.121 -4.719 -12.172 1.00 0.00 H new ATOM 0 HA GLU A 101 8.599 -5.986 -11.514 1.00 0.00 H new ATOM 0 HB2 GLU A 101 7.421 -5.817 -13.763 1.00 0.00 H new ATOM 0 HB3 GLU A 101 7.872 -4.124 -13.802 1.00 0.00 H new ATOM 0 HG2 GLU A 101 10.237 -4.693 -13.813 1.00 0.00 H new ATOM 0 HG3 GLU A 101 9.875 -6.391 -13.574 1.00 0.00 H new ATOM 1541 N GLN A 102 8.394 -2.729 -11.268 1.00 0.00 N ATOM 1542 CA GLN A 102 9.062 -1.538 -10.749 1.00 0.00 C ATOM 1543 C GLN A 102 9.505 -1.757 -9.306 1.00 0.00 C ATOM 1544 O GLN A 102 10.700 -1.781 -9.008 1.00 0.00 O ATOM 1545 CB GLN A 102 8.119 -0.329 -10.818 1.00 0.00 C ATOM 1546 CG GLN A 102 8.766 0.995 -10.433 1.00 0.00 C ATOM 1547 CD GLN A 102 9.822 1.445 -11.424 1.00 0.00 C ATOM 1548 OE1 GLN A 102 10.991 1.091 -11.304 1.00 0.00 O ATOM 1549 NE2 GLN A 102 9.418 2.245 -12.401 1.00 0.00 N ATOM 0 H GLN A 102 7.424 -2.576 -11.543 1.00 0.00 H new ATOM 0 HA GLN A 102 9.941 -1.345 -11.363 1.00 0.00 H new ATOM 0 HB2 GLN A 102 7.727 -0.247 -11.832 1.00 0.00 H new ATOM 0 HB3 GLN A 102 7.268 -0.509 -10.161 1.00 0.00 H new ATOM 0 HG2 GLN A 102 7.995 1.762 -10.357 1.00 0.00 H new ATOM 0 HG3 GLN A 102 9.218 0.899 -9.446 1.00 0.00 H new ATOM 0 HE21 GLN A 102 8.437 2.516 -12.466 1.00 0.00 H new ATOM 0 HE22 GLN A 102 10.088 2.590 -13.088 1.00 0.00 H new ATOM 1558 N LEU A 103 8.525 -1.942 -8.426 1.00 0.00 N ATOM 1559 CA LEU A 103 8.784 -2.101 -6.996 1.00 0.00 C ATOM 1560 C LEU A 103 9.727 -3.269 -6.719 1.00 0.00 C ATOM 1561 O LEU A 103 10.607 -3.174 -5.869 1.00 0.00 O ATOM 1562 CB LEU A 103 7.471 -2.297 -6.223 1.00 0.00 C ATOM 1563 CG LEU A 103 6.711 -1.014 -5.856 1.00 0.00 C ATOM 1564 CD1 LEU A 103 6.113 -0.349 -7.088 1.00 0.00 C ATOM 1565 CD2 LEU A 103 5.625 -1.320 -4.837 1.00 0.00 C ATOM 0 H LEU A 103 7.538 -1.986 -8.679 1.00 0.00 H new ATOM 0 HA LEU A 103 9.267 -1.186 -6.653 1.00 0.00 H new ATOM 0 HB2 LEU A 103 6.812 -2.929 -6.819 1.00 0.00 H new ATOM 0 HB3 LEU A 103 7.690 -2.842 -5.305 1.00 0.00 H new ATOM 0 HG LEU A 103 7.423 -0.316 -5.416 1.00 0.00 H new ATOM 0 HD11 LEU A 103 5.582 0.556 -6.792 1.00 0.00 H new ATOM 0 HD12 LEU A 103 6.910 -0.090 -7.785 1.00 0.00 H new ATOM 0 HD13 LEU A 103 5.418 -1.036 -7.571 1.00 0.00 H new ATOM 0 HD21 LEU A 103 5.094 -0.402 -4.585 1.00 0.00 H new ATOM 0 HD22 LEU A 103 4.924 -2.041 -5.257 1.00 0.00 H new ATOM 0 HD23 LEU A 103 6.077 -1.736 -3.937 1.00 0.00 H new ATOM 1577 N LYS A 104 9.547 -4.358 -7.456 1.00 0.00 N ATOM 1578 CA LYS A 104 10.346 -5.565 -7.264 1.00 0.00 C ATOM 1579 C LYS A 104 11.844 -5.279 -7.428 1.00 0.00 C ATOM 1580 O LYS A 104 12.653 -5.593 -6.546 1.00 0.00 O ATOM 1581 CB LYS A 104 9.888 -6.635 -8.258 1.00 0.00 C ATOM 1582 CG LYS A 104 10.665 -7.936 -8.176 1.00 0.00 C ATOM 1583 CD LYS A 104 10.124 -8.965 -9.155 1.00 0.00 C ATOM 1584 CE LYS A 104 10.980 -10.217 -9.177 1.00 0.00 C ATOM 1585 NZ LYS A 104 12.350 -9.939 -9.679 1.00 0.00 N ATOM 0 H LYS A 104 8.850 -4.431 -8.197 1.00 0.00 H new ATOM 0 HA LYS A 104 10.197 -5.925 -6.246 1.00 0.00 H new ATOM 0 HB2 LYS A 104 8.832 -6.845 -8.088 1.00 0.00 H new ATOM 0 HB3 LYS A 104 9.975 -6.236 -9.269 1.00 0.00 H new ATOM 0 HG2 LYS A 104 11.717 -7.747 -8.388 1.00 0.00 H new ATOM 0 HG3 LYS A 104 10.610 -8.332 -7.162 1.00 0.00 H new ATOM 0 HD2 LYS A 104 9.102 -9.227 -8.881 1.00 0.00 H new ATOM 0 HD3 LYS A 104 10.085 -8.532 -10.155 1.00 0.00 H new ATOM 0 HE2 LYS A 104 11.039 -10.635 -8.172 1.00 0.00 H new ATOM 0 HE3 LYS A 104 10.507 -10.970 -9.808 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 12.580 -10.603 -10.446 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 12.397 -8.965 -10.039 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 13.034 -10.054 -8.904 1.00 0.00 H new ATOM 1599 N GLU A 105 12.210 -4.667 -8.547 1.00 0.00 N ATOM 1600 CA GLU A 105 13.609 -4.363 -8.823 1.00 0.00 C ATOM 1601 C GLU A 105 14.146 -3.283 -7.886 1.00 0.00 C ATOM 1602 O GLU A 105 15.343 -3.238 -7.606 1.00 0.00 O ATOM 1603 CB GLU A 105 13.791 -3.941 -10.280 1.00 0.00 C ATOM 1604 CG GLU A 105 14.335 -5.050 -11.171 1.00 0.00 C ATOM 1605 CD GLU A 105 13.525 -6.327 -11.093 1.00 0.00 C ATOM 1606 OE1 GLU A 105 12.569 -6.479 -11.881 1.00 0.00 O ATOM 1607 OE2 GLU A 105 13.847 -7.189 -10.247 1.00 0.00 O ATOM 0 H GLU A 105 11.561 -4.372 -9.276 1.00 0.00 H new ATOM 0 HA GLU A 105 14.183 -5.273 -8.646 1.00 0.00 H new ATOM 0 HB2 GLU A 105 12.832 -3.606 -10.675 1.00 0.00 H new ATOM 0 HB3 GLU A 105 14.468 -3.088 -10.321 1.00 0.00 H new ATOM 0 HG2 GLU A 105 14.354 -4.702 -12.204 1.00 0.00 H new ATOM 0 HG3 GLU A 105 15.366 -5.263 -10.887 1.00 0.00 H new ATOM 1614 N LEU A 106 13.258 -2.430 -7.387 1.00 0.00 N ATOM 1615 CA LEU A 106 13.660 -1.355 -6.483 1.00 0.00 C ATOM 1616 C LEU A 106 14.004 -1.893 -5.096 1.00 0.00 C ATOM 1617 O LEU A 106 14.854 -1.343 -4.406 1.00 0.00 O ATOM 1618 CB LEU A 106 12.553 -0.307 -6.370 1.00 0.00 C ATOM 1619 CG LEU A 106 12.269 0.482 -7.651 1.00 0.00 C ATOM 1620 CD1 LEU A 106 11.133 1.471 -7.429 1.00 0.00 C ATOM 1621 CD2 LEU A 106 13.519 1.207 -8.127 1.00 0.00 C ATOM 0 H LEU A 106 12.259 -2.460 -7.591 1.00 0.00 H new ATOM 0 HA LEU A 106 14.553 -0.891 -6.902 1.00 0.00 H new ATOM 0 HB2 LEU A 106 11.635 -0.804 -6.057 1.00 0.00 H new ATOM 0 HB3 LEU A 106 12.819 0.396 -5.581 1.00 0.00 H new ATOM 0 HG LEU A 106 11.967 -0.224 -8.425 1.00 0.00 H new ATOM 0 HD11 LEU A 106 10.946 2.023 -8.350 1.00 0.00 H new ATOM 0 HD12 LEU A 106 10.232 0.931 -7.140 1.00 0.00 H new ATOM 0 HD13 LEU A 106 11.407 2.169 -6.638 1.00 0.00 H new ATOM 0 HD21 LEU A 106 13.294 1.761 -9.038 1.00 0.00 H new ATOM 0 HD22 LEU A 106 13.854 1.900 -7.355 1.00 0.00 H new ATOM 0 HD23 LEU A 106 14.306 0.481 -8.329 1.00 0.00 H new ATOM 1633 N VAL A 107 13.336 -2.966 -4.692 1.00 0.00 N ATOM 1634 CA VAL A 107 13.582 -3.563 -3.381 1.00 0.00 C ATOM 1635 C VAL A 107 14.681 -4.627 -3.474 1.00 0.00 C ATOM 1636 O VAL A 107 15.228 -5.081 -2.461 1.00 0.00 O ATOM 1637 CB VAL A 107 12.288 -4.192 -2.801 1.00 0.00 C ATOM 1638 CG1 VAL A 107 12.499 -4.678 -1.375 1.00 0.00 C ATOM 1639 CG2 VAL A 107 11.140 -3.199 -2.845 1.00 0.00 C ATOM 0 H VAL A 107 12.624 -3.440 -5.247 1.00 0.00 H new ATOM 0 HA VAL A 107 13.910 -2.769 -2.710 1.00 0.00 H new ATOM 0 HB VAL A 107 12.036 -5.052 -3.422 1.00 0.00 H new ATOM 0 HG11 VAL A 107 11.573 -5.113 -0.998 1.00 0.00 H new ATOM 0 HG12 VAL A 107 13.287 -5.431 -1.360 1.00 0.00 H new ATOM 0 HG13 VAL A 107 12.788 -3.838 -0.743 1.00 0.00 H new ATOM 0 HG21 VAL A 107 10.243 -3.661 -2.433 1.00 0.00 H new ATOM 0 HG22 VAL A 107 11.397 -2.319 -2.256 1.00 0.00 H new ATOM 0 HG23 VAL A 107 10.954 -2.903 -3.877 1.00 0.00 H new ATOM 1649 N LEU A 108 15.002 -5.019 -4.699 1.00 0.00 N ATOM 1650 CA LEU A 108 16.025 -6.032 -4.951 1.00 0.00 C ATOM 1651 C LEU A 108 17.414 -5.596 -4.460 1.00 0.00 C ATOM 1652 O LEU A 108 18.211 -6.433 -4.033 1.00 0.00 O ATOM 1653 CB LEU A 108 16.080 -6.349 -6.447 1.00 0.00 C ATOM 1654 CG LEU A 108 17.108 -7.409 -6.858 1.00 0.00 C ATOM 1655 CD1 LEU A 108 16.769 -8.756 -6.238 1.00 0.00 C ATOM 1656 CD2 LEU A 108 17.182 -7.523 -8.371 1.00 0.00 C ATOM 0 H LEU A 108 14.566 -4.648 -5.543 1.00 0.00 H new ATOM 0 HA LEU A 108 15.747 -6.923 -4.389 1.00 0.00 H new ATOM 0 HB2 LEU A 108 15.093 -6.682 -6.767 1.00 0.00 H new ATOM 0 HB3 LEU A 108 16.297 -5.428 -6.988 1.00 0.00 H new ATOM 0 HG LEU A 108 18.085 -7.098 -6.488 1.00 0.00 H new ATOM 0 HD11 LEU A 108 17.511 -9.494 -6.543 1.00 0.00 H new ATOM 0 HD12 LEU A 108 16.770 -8.667 -5.152 1.00 0.00 H new ATOM 0 HD13 LEU A 108 15.782 -9.074 -6.575 1.00 0.00 H new ATOM 0 HD21 LEU A 108 17.917 -8.280 -8.643 1.00 0.00 H new ATOM 0 HD22 LEU A 108 16.205 -7.808 -8.763 1.00 0.00 H new ATOM 0 HD23 LEU A 108 17.477 -6.563 -8.794 1.00 0.00 H new ATOM 1668 N GLU A 109 17.695 -4.298 -4.501 1.00 0.00 N ATOM 1669 CA GLU A 109 19.044 -3.805 -4.216 1.00 0.00 C ATOM 1670 C GLU A 109 19.483 -4.066 -2.767 1.00 0.00 C ATOM 1671 O GLU A 109 20.645 -4.391 -2.520 1.00 0.00 O ATOM 1672 CB GLU A 109 19.189 -2.319 -4.601 1.00 0.00 C ATOM 1673 CG GLU A 109 18.022 -1.414 -4.218 1.00 0.00 C ATOM 1674 CD GLU A 109 17.971 -1.095 -2.741 1.00 0.00 C ATOM 1675 OE1 GLU A 109 18.782 -0.258 -2.290 1.00 0.00 O ATOM 1676 OE2 GLU A 109 17.133 -1.687 -2.028 1.00 0.00 O ATOM 0 H GLU A 109 17.016 -3.571 -4.726 1.00 0.00 H new ATOM 0 HA GLU A 109 19.725 -4.380 -4.843 1.00 0.00 H new ATOM 0 HB2 GLU A 109 20.094 -1.930 -4.134 1.00 0.00 H new ATOM 0 HB3 GLU A 109 19.334 -2.256 -5.679 1.00 0.00 H new ATOM 0 HG2 GLU A 109 18.093 -0.483 -4.781 1.00 0.00 H new ATOM 0 HG3 GLU A 109 17.088 -1.894 -4.511 1.00 0.00 H new ATOM 1683 N HIS A 110 18.565 -3.954 -1.815 1.00 0.00 N ATOM 1684 CA HIS A 110 18.873 -4.272 -0.421 1.00 0.00 C ATOM 1685 C HIS A 110 18.636 -5.748 -0.123 1.00 0.00 C ATOM 1686 O HIS A 110 18.466 -6.147 1.031 1.00 0.00 O ATOM 1687 CB HIS A 110 18.064 -3.398 0.542 1.00 0.00 C ATOM 1688 CG HIS A 110 18.739 -2.100 0.867 1.00 0.00 C ATOM 1689 ND1 HIS A 110 19.949 -2.034 1.524 1.00 0.00 N ATOM 1690 CD2 HIS A 110 18.380 -0.819 0.618 1.00 0.00 C ATOM 1691 CE1 HIS A 110 20.303 -0.771 1.661 1.00 0.00 C ATOM 1692 NE2 HIS A 110 19.371 -0.012 1.120 1.00 0.00 N ATOM 0 H HIS A 110 17.606 -3.648 -1.978 1.00 0.00 H new ATOM 0 HA HIS A 110 19.931 -4.059 -0.269 1.00 0.00 H new ATOM 0 HB2 HIS A 110 17.087 -3.193 0.104 1.00 0.00 H new ATOM 0 HB3 HIS A 110 17.889 -3.951 1.465 1.00 0.00 H new ATOM 0 HD1 HIS A 110 20.486 -2.836 1.853 1.00 0.00 H new ATOM 0 HD2 HIS A 110 17.481 -0.492 0.117 1.00 0.00 H new ATOM 0 HE1 HIS A 110 21.206 -0.418 2.137 1.00 0.00 H new TER 1701 HIS A 110