USER MOD reduce.3.24.130724 H: found=0, std=0, add=938, rem=0, adj=42 USER MOD reduce.3.24.130724 removed 938 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 54 GLN : amide:sc= 0.127 X(o=0.26,f=0) USER MOD Set 1.2: A 59 ASN : amide:sc= 0.133 X(o=0.26,f=0) USER MOD Set 2.1: A 10 CYS SG : rot 180:sc= 0 USER MOD Set 2.2: A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 1 GLY N :NH3+ 134:sc= 0.0284 (180deg=0) USER MOD Single : A 5 SER OG : rot 61:sc= 0.588 USER MOD Single : A 7 SER OG : rot -24:sc= 0.0924 USER MOD Single : A 8 LYS NZ :NH3+ 170:sc= -0.0197 (180deg=-0.134) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 19 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 21 CYS SG : rot 180:sc= -0.27 USER MOD Single : A 22 SER OG : rot -52:sc= 1.15 USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 31 MET CE :methyl -156:sc= -7.87! (180deg=-10.3!) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 36 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 ASN : amide:sc= -0.0528 X(o=-0.053,f=0) USER MOD Single : A 45 ASN : amide:sc= -1.07 X(o=-1.1,f=-0.7) USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 47 SER OG : rot 17:sc= 0.652 USER MOD Single : A 48 CYS SG : rot -24:sc= 0.194 USER MOD Single : A 50 ASN : amide:sc= -0.135 K(o=-0.14,f=-2) USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 ASN : amide:sc= -0.252 K(o=-0.25,f=-3) USER MOD Single : A 53 LYS NZ :NH3+ -168:sc= -0.0409 (180deg=-0.27) USER MOD Single : A 56 SER OG : rot 57:sc= 0.586 USER MOD Single : A 58 GLN :FLIP amide:sc= -0.351 F(o=-1.1,f=-0.35) USER MOD Single : A 62 ASN : amide:sc= 0.0452 K(o=0.045,f=-0.47) USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 SER OG : rot -56:sc= 1.14 USER MOD Single : A 67 GLN : amide:sc= -0.207 X(o=-0.21,f=-0.21) USER MOD Single : A 68 ASN :FLIP amide:sc= -0.0286 F(o=-1.2,f=-0.029) USER MOD Single : A 70 MET CE :methyl 160:sc= -0.134 (180deg=-0.752) USER MOD Single : A 72 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 79 ASN : amide:sc= -1.81 K(o=-1.8,f=-5!) USER MOD Single : A 80 SER OG : rot -10:sc= 0.0153 USER MOD Single : A 81 HIS : no HD1:sc= -3.01! C(o=-3!,f=-5.9!) USER MOD Single : A 83 GLN :FLIP amide:sc= -0.111 F(o=-1.9,f=-0.11) USER MOD Single : A 91 ASN : amide:sc= -4.46! C(o=-4.5!,f=-7.7!) USER MOD Single : A 92 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 93 ASN : amide:sc=-0.00369 X(o=-0.0037,f=-0.1) USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 LYS NZ :NH3+ 162:sc= -0.0996 (180deg=-0.438) USER MOD Single : A 101 HIS : no HE2:sc= -3.46! C(o=-3.5!,f=-7.6!) USER MOD Single : A 104 GLN : amide:sc= -1.05 K(o=-1.1,f=-2.2!) USER MOD Single : A 111 GLN :FLIP amide:sc= -0.566 F(o=-1.7,f=-0.57) USER MOD Single : A 114 SER OG : rot 180:sc= 0 USER MOD Single : A 115 SER OG : rot 180:sc= 0 USER MOD Single : A 118 SER OG : rot 180:sc= 0 USER MOD Single : A 119 SER OG : rot -26:sc= 0.498 USER MOD Single : A 122 SER OG : rot -54:sc= 1.15 USER MOD Single : A 123 SER OG : rot -54:sc= 0.735 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -52.596 2.789 22.320 1.00 0.00 N ATOM 2 CA GLY A 1 -51.417 2.039 21.806 1.00 0.00 C ATOM 3 C GLY A 1 -50.486 1.587 22.917 1.00 0.00 C ATOM 4 O GLY A 1 -50.405 2.233 23.961 1.00 0.00 O ATOM 0 H1 GLY A 1 -52.740 3.645 21.747 1.00 0.00 H new ATOM 0 H2 GLY A 1 -53.442 2.187 22.262 1.00 0.00 H new ATOM 0 H3 GLY A 1 -52.431 3.059 23.311 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -51.760 1.168 21.247 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -50.866 2.669 21.108 1.00 0.00 H new ATOM 10 N PRO A 2 -49.769 0.467 22.720 1.00 0.00 N ATOM 11 CA PRO A 2 -48.844 -0.069 23.716 1.00 0.00 C ATOM 12 C PRO A 2 -47.445 0.536 23.615 1.00 0.00 C ATOM 13 O PRO A 2 -46.465 -0.076 24.041 1.00 0.00 O ATOM 14 CB PRO A 2 -48.810 -1.552 23.364 1.00 0.00 C ATOM 15 CG PRO A 2 -48.995 -1.592 21.882 1.00 0.00 C ATOM 16 CD PRO A 2 -49.809 -0.374 21.509 1.00 0.00 C ATOM 0 HA PRO A 2 -49.162 0.150 24.735 1.00 0.00 H new ATOM 0 HB2 PRO A 2 -47.864 -2.008 23.658 1.00 0.00 H new ATOM 0 HB3 PRO A 2 -49.601 -2.099 23.877 1.00 0.00 H new ATOM 0 HG2 PRO A 2 -48.032 -1.584 21.372 1.00 0.00 H new ATOM 0 HG3 PRO A 2 -49.507 -2.506 21.581 1.00 0.00 H new ATOM 0 HD2 PRO A 2 -49.382 0.143 20.650 1.00 0.00 H new ATOM 0 HD3 PRO A 2 -50.831 -0.643 21.244 1.00 0.00 H new ATOM 24 N LEU A 3 -47.355 1.737 23.053 1.00 0.00 N ATOM 25 CA LEU A 3 -46.072 2.416 22.903 1.00 0.00 C ATOM 26 C LEU A 3 -45.124 1.601 22.029 1.00 0.00 C ATOM 27 O LEU A 3 -44.276 0.865 22.534 1.00 0.00 O ATOM 28 CB LEU A 3 -45.434 2.664 24.273 1.00 0.00 C ATOM 29 CG LEU A 3 -46.229 3.579 25.209 1.00 0.00 C ATOM 30 CD1 LEU A 3 -47.577 2.962 25.549 1.00 0.00 C ATOM 31 CD2 LEU A 3 -45.436 3.860 26.477 1.00 0.00 C ATOM 0 H LEU A 3 -48.154 2.260 22.694 1.00 0.00 H new ATOM 0 HA LEU A 3 -46.254 3.375 22.417 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -45.289 1.703 24.767 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -44.445 3.097 24.122 1.00 0.00 H new ATOM 0 HG LEU A 3 -46.407 4.524 24.695 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -48.125 3.629 26.215 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -48.150 2.812 24.634 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -47.424 2.002 26.042 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -46.015 4.512 27.131 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -45.228 2.922 26.991 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -44.496 4.348 26.218 1.00 0.00 H new ATOM 43 N GLY A 4 -45.273 1.738 20.715 1.00 0.00 N ATOM 44 CA GLY A 4 -44.423 1.009 19.793 1.00 0.00 C ATOM 45 C GLY A 4 -45.055 0.847 18.424 1.00 0.00 C ATOM 46 O GLY A 4 -44.392 1.020 17.402 1.00 0.00 O ATOM 0 H GLY A 4 -45.967 2.341 20.273 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -43.472 1.531 19.691 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -44.204 0.025 20.207 1.00 0.00 H new ATOM 50 N SER A 5 -46.342 0.514 18.405 1.00 0.00 N ATOM 51 CA SER A 5 -47.065 0.328 17.152 1.00 0.00 C ATOM 52 C SER A 5 -48.531 0.727 17.306 1.00 0.00 C ATOM 53 O SER A 5 -49.419 -0.126 17.313 1.00 0.00 O ATOM 54 CB SER A 5 -46.964 -1.128 16.692 1.00 0.00 C ATOM 55 OG SER A 5 -47.522 -2.006 17.654 1.00 0.00 O ATOM 0 H SER A 5 -46.905 0.368 19.243 1.00 0.00 H new ATOM 0 HA SER A 5 -46.610 0.971 16.399 1.00 0.00 H new ATOM 0 HB2 SER A 5 -47.482 -1.249 15.741 1.00 0.00 H new ATOM 0 HB3 SER A 5 -45.919 -1.387 16.521 1.00 0.00 H new ATOM 0 HG SER A 5 -48.469 -1.791 17.783 1.00 0.00 H new ATOM 61 N PRO A 6 -48.804 2.038 17.433 1.00 0.00 N ATOM 62 CA PRO A 6 -50.166 2.550 17.590 1.00 0.00 C ATOM 63 C PRO A 6 -50.924 2.636 16.266 1.00 0.00 C ATOM 64 O PRO A 6 -52.067 3.092 16.228 1.00 0.00 O ATOM 65 CB PRO A 6 -49.939 3.945 18.165 1.00 0.00 C ATOM 66 CG PRO A 6 -48.632 4.375 17.592 1.00 0.00 C ATOM 67 CD PRO A 6 -47.804 3.124 17.439 1.00 0.00 C ATOM 0 HA PRO A 6 -50.777 1.900 18.216 1.00 0.00 H new ATOM 0 HB2 PRO A 6 -50.741 4.627 17.881 1.00 0.00 H new ATOM 0 HB3 PRO A 6 -49.908 3.925 19.254 1.00 0.00 H new ATOM 0 HG2 PRO A 6 -48.773 4.868 16.630 1.00 0.00 H new ATOM 0 HG3 PRO A 6 -48.137 5.091 18.248 1.00 0.00 H new ATOM 0 HD2 PRO A 6 -47.224 3.139 16.516 1.00 0.00 H new ATOM 0 HD3 PRO A 6 -47.095 3.011 18.259 1.00 0.00 H new ATOM 75 N SER A 7 -50.288 2.195 15.184 1.00 0.00 N ATOM 76 CA SER A 7 -50.915 2.226 13.868 1.00 0.00 C ATOM 77 C SER A 7 -51.489 0.859 13.501 1.00 0.00 C ATOM 78 O SER A 7 -51.930 0.650 12.372 1.00 0.00 O ATOM 79 CB SER A 7 -49.902 2.667 12.809 1.00 0.00 C ATOM 80 OG SER A 7 -50.494 2.703 11.522 1.00 0.00 O ATOM 0 H SER A 7 -49.342 1.813 15.193 1.00 0.00 H new ATOM 0 HA SER A 7 -51.734 2.944 13.902 1.00 0.00 H new ATOM 0 HB2 SER A 7 -49.513 3.653 13.062 1.00 0.00 H new ATOM 0 HB3 SER A 7 -49.054 1.982 12.804 1.00 0.00 H new ATOM 0 HG SER A 7 -51.270 2.105 11.502 1.00 0.00 H new ATOM 86 N LYS A 8 -51.480 -0.066 14.461 1.00 0.00 N ATOM 87 CA LYS A 8 -51.999 -1.411 14.241 1.00 0.00 C ATOM 88 C LYS A 8 -51.157 -2.158 13.211 1.00 0.00 C ATOM 89 O LYS A 8 -50.423 -3.085 13.552 1.00 0.00 O ATOM 90 CB LYS A 8 -53.463 -1.362 13.790 1.00 0.00 C ATOM 91 CG LYS A 8 -54.424 -0.865 14.862 1.00 0.00 C ATOM 92 CD LYS A 8 -54.115 0.563 15.286 1.00 0.00 C ATOM 93 CE LYS A 8 -55.156 1.090 16.260 1.00 0.00 C ATOM 94 NZ LYS A 8 -55.231 0.263 17.496 1.00 0.00 N ATOM 0 H LYS A 8 -51.117 0.095 15.401 1.00 0.00 H new ATOM 0 HA LYS A 8 -51.944 -1.948 15.188 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -53.542 -0.714 12.917 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -53.770 -2.360 13.476 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -55.446 -0.919 14.486 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -54.369 -1.521 15.731 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -53.129 0.601 15.749 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -54.079 1.206 14.406 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -54.915 2.119 16.526 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -56.132 1.106 15.775 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -55.824 0.746 18.201 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -55.647 -0.663 17.269 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -54.275 0.128 17.882 1.00 0.00 H new ATOM 108 N ASP A 9 -51.264 -1.747 11.952 1.00 0.00 N ATOM 109 CA ASP A 9 -50.507 -2.379 10.879 1.00 0.00 C ATOM 110 C ASP A 9 -50.292 -1.411 9.720 1.00 0.00 C ATOM 111 O ASP A 9 -49.185 -1.296 9.195 1.00 0.00 O ATOM 112 CB ASP A 9 -51.231 -3.633 10.385 1.00 0.00 C ATOM 113 CG ASP A 9 -52.615 -3.327 9.845 1.00 0.00 C ATOM 114 OD1 ASP A 9 -53.450 -2.805 10.614 1.00 0.00 O ATOM 115 OD2 ASP A 9 -52.863 -3.609 8.654 1.00 0.00 O ATOM 0 H ASP A 9 -51.866 -0.981 11.651 1.00 0.00 H new ATOM 0 HA ASP A 9 -49.532 -2.664 11.275 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -50.637 -4.109 9.605 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -51.313 -4.348 11.204 1.00 0.00 H new ATOM 120 N CYS A 10 -51.358 -0.719 9.327 1.00 0.00 N ATOM 121 CA CYS A 10 -51.292 0.241 8.228 1.00 0.00 C ATOM 122 C CYS A 10 -50.982 -0.460 6.908 1.00 0.00 C ATOM 123 O CYS A 10 -51.865 -0.641 6.070 1.00 0.00 O ATOM 124 CB CYS A 10 -50.237 1.313 8.517 1.00 0.00 C ATOM 125 SG CYS A 10 -50.076 2.560 7.216 1.00 0.00 S ATOM 0 H CYS A 10 -52.280 -0.805 9.754 1.00 0.00 H new ATOM 0 HA CYS A 10 -52.267 0.721 8.140 1.00 0.00 H new ATOM 0 HB2 CYS A 10 -50.487 1.811 9.454 1.00 0.00 H new ATOM 0 HB3 CYS A 10 -49.272 0.828 8.662 1.00 0.00 H new ATOM 0 HG CYS A 10 -49.163 3.422 7.552 1.00 0.00 H new ATOM 131 N GLY A 11 -49.725 -0.854 6.730 1.00 0.00 N ATOM 132 CA GLY A 11 -49.326 -1.531 5.509 1.00 0.00 C ATOM 133 C GLY A 11 -48.179 -0.834 4.806 1.00 0.00 C ATOM 134 O GLY A 11 -48.221 -0.623 3.594 1.00 0.00 O ATOM 0 H GLY A 11 -48.976 -0.717 7.409 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -49.035 -2.555 5.744 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -50.180 -1.589 4.834 1.00 0.00 H new ATOM 138 N SER A 12 -47.150 -0.476 5.568 1.00 0.00 N ATOM 139 CA SER A 12 -45.986 0.201 5.008 1.00 0.00 C ATOM 140 C SER A 12 -44.699 -0.295 5.670 1.00 0.00 C ATOM 141 O SER A 12 -44.578 -0.276 6.894 1.00 0.00 O ATOM 142 CB SER A 12 -46.116 1.714 5.188 1.00 0.00 C ATOM 143 OG SER A 12 -47.287 2.204 4.558 1.00 0.00 O ATOM 0 H SER A 12 -47.099 -0.643 6.573 1.00 0.00 H new ATOM 0 HA SER A 12 -45.938 -0.028 3.943 1.00 0.00 H new ATOM 0 HB2 SER A 12 -46.143 1.956 6.250 1.00 0.00 H new ATOM 0 HB3 SER A 12 -45.240 2.210 4.770 1.00 0.00 H new ATOM 0 HG SER A 12 -47.348 3.173 4.689 1.00 0.00 H new ATOM 149 N PRO A 13 -43.719 -0.753 4.868 1.00 0.00 N ATOM 150 CA PRO A 13 -42.443 -1.260 5.388 1.00 0.00 C ATOM 151 C PRO A 13 -41.746 -0.271 6.316 1.00 0.00 C ATOM 152 O PRO A 13 -40.908 0.518 5.880 1.00 0.00 O ATOM 153 CB PRO A 13 -41.604 -1.479 4.128 1.00 0.00 C ATOM 154 CG PRO A 13 -42.601 -1.687 3.042 1.00 0.00 C ATOM 155 CD PRO A 13 -43.777 -0.821 3.394 1.00 0.00 C ATOM 0 HA PRO A 13 -42.587 -2.158 5.989 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -40.967 -0.619 3.922 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -40.948 -2.343 4.234 1.00 0.00 H new ATOM 0 HG2 PRO A 13 -42.187 -1.409 2.073 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -42.893 -2.735 2.975 1.00 0.00 H new ATOM 0 HD2 PRO A 13 -43.698 0.168 2.942 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -44.715 -1.256 3.048 1.00 0.00 H new ATOM 163 N LYS A 14 -42.085 -0.327 7.599 1.00 0.00 N ATOM 164 CA LYS A 14 -41.477 0.556 8.587 1.00 0.00 C ATOM 165 C LYS A 14 -41.680 2.022 8.218 1.00 0.00 C ATOM 166 O LYS A 14 -40.718 2.754 7.983 1.00 0.00 O ATOM 167 CB LYS A 14 -39.983 0.250 8.719 1.00 0.00 C ATOM 168 CG LYS A 14 -39.681 -1.084 9.388 1.00 0.00 C ATOM 169 CD LYS A 14 -40.294 -2.250 8.628 1.00 0.00 C ATOM 170 CE LYS A 14 -39.864 -3.584 9.215 1.00 0.00 C ATOM 171 NZ LYS A 14 -40.457 -4.733 8.477 1.00 0.00 N ATOM 0 H LYS A 14 -42.776 -0.974 7.979 1.00 0.00 H new ATOM 0 HA LYS A 14 -41.966 0.377 9.544 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -39.532 0.258 7.727 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -39.508 1.047 9.291 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -38.602 -1.221 9.454 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -40.064 -1.074 10.408 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -41.381 -2.173 8.655 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -39.997 -2.199 7.580 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -38.777 -3.658 9.189 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -40.162 -3.633 10.262 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -40.139 -5.624 8.909 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -41.494 -4.677 8.523 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -40.152 -4.702 7.483 1.00 0.00 H new ATOM 185 N TYR A 15 -42.937 2.447 8.175 1.00 0.00 N ATOM 186 CA TYR A 15 -43.266 3.828 7.842 1.00 0.00 C ATOM 187 C TYR A 15 -44.374 4.351 8.749 1.00 0.00 C ATOM 188 O TYR A 15 -45.525 4.482 8.331 1.00 0.00 O ATOM 189 CB TYR A 15 -43.691 3.938 6.378 1.00 0.00 C ATOM 190 CG TYR A 15 -44.018 5.351 5.949 1.00 0.00 C ATOM 191 CD1 TYR A 15 -43.069 6.361 6.042 1.00 0.00 C ATOM 192 CD2 TYR A 15 -45.274 5.674 5.452 1.00 0.00 C ATOM 193 CE1 TYR A 15 -43.363 7.654 5.653 1.00 0.00 C ATOM 194 CE2 TYR A 15 -45.576 6.965 5.060 1.00 0.00 C ATOM 195 CZ TYR A 15 -44.617 7.950 5.163 1.00 0.00 C ATOM 196 OH TYR A 15 -44.914 9.237 4.775 1.00 0.00 O ATOM 0 H TYR A 15 -43.745 1.855 8.367 1.00 0.00 H new ATOM 0 HA TYR A 15 -42.375 4.436 7.996 1.00 0.00 H new ATOM 0 HB2 TYR A 15 -42.892 3.551 5.746 1.00 0.00 H new ATOM 0 HB3 TYR A 15 -44.563 3.306 6.213 1.00 0.00 H new ATOM 0 HD1 TYR A 15 -42.085 6.132 6.425 1.00 0.00 H new ATOM 0 HD2 TYR A 15 -46.027 4.904 5.370 1.00 0.00 H new ATOM 0 HE1 TYR A 15 -42.614 8.428 5.732 1.00 0.00 H new ATOM 0 HE2 TYR A 15 -46.557 7.200 4.675 1.00 0.00 H new ATOM 0 HH TYR A 15 -45.839 9.276 4.453 1.00 0.00 H new ATOM 206 N ALA A 16 -44.018 4.645 9.994 1.00 0.00 N ATOM 207 CA ALA A 16 -44.979 5.151 10.966 1.00 0.00 C ATOM 208 C ALA A 16 -44.896 6.665 11.086 1.00 0.00 C ATOM 209 O ALA A 16 -45.720 7.386 10.524 1.00 0.00 O ATOM 210 CB ALA A 16 -44.753 4.493 12.320 1.00 0.00 C ATOM 0 H ALA A 16 -43.069 4.541 10.354 1.00 0.00 H new ATOM 0 HA ALA A 16 -45.980 4.900 10.616 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -45.477 4.879 13.038 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -44.876 3.414 12.225 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -43.744 4.714 12.668 1.00 0.00 H new ATOM 216 N TYR A 17 -43.903 7.143 11.823 1.00 0.00 N ATOM 217 CA TYR A 17 -43.725 8.573 12.016 1.00 0.00 C ATOM 218 C TYR A 17 -42.265 8.912 12.297 1.00 0.00 C ATOM 219 O TYR A 17 -41.968 9.746 13.152 1.00 0.00 O ATOM 220 CB TYR A 17 -44.606 9.056 13.167 1.00 0.00 C ATOM 221 CG TYR A 17 -46.086 8.858 12.927 1.00 0.00 C ATOM 222 CD1 TYR A 17 -46.732 9.506 11.881 1.00 0.00 C ATOM 223 CD2 TYR A 17 -46.837 8.024 13.746 1.00 0.00 C ATOM 224 CE1 TYR A 17 -48.085 9.328 11.659 1.00 0.00 C ATOM 225 CE2 TYR A 17 -48.189 7.841 13.529 1.00 0.00 C ATOM 226 CZ TYR A 17 -48.808 8.495 12.485 1.00 0.00 C ATOM 227 OH TYR A 17 -50.155 8.315 12.267 1.00 0.00 O ATOM 0 H TYR A 17 -43.210 6.562 12.296 1.00 0.00 H new ATOM 0 HA TYR A 17 -44.020 9.081 11.098 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -44.321 8.528 14.077 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -44.414 10.115 13.340 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -46.168 10.159 11.231 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -46.356 7.511 14.565 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -48.573 9.839 10.842 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -48.759 7.189 14.174 1.00 0.00 H new ATOM 0 HH TYR A 17 -50.515 7.697 12.937 1.00 0.00 H new ATOM 237 N PHE A 18 -41.360 8.257 11.565 1.00 0.00 N ATOM 238 CA PHE A 18 -39.917 8.470 11.715 1.00 0.00 C ATOM 239 C PHE A 18 -39.545 8.855 13.146 1.00 0.00 C ATOM 240 O PHE A 18 -39.245 10.015 13.430 1.00 0.00 O ATOM 241 CB PHE A 18 -39.419 9.544 10.740 1.00 0.00 C ATOM 242 CG PHE A 18 -40.038 10.899 10.946 1.00 0.00 C ATOM 243 CD1 PHE A 18 -41.373 11.123 10.646 1.00 0.00 C ATOM 244 CD2 PHE A 18 -39.282 11.949 11.442 1.00 0.00 C ATOM 245 CE1 PHE A 18 -41.941 12.368 10.837 1.00 0.00 C ATOM 246 CE2 PHE A 18 -39.845 13.197 11.635 1.00 0.00 C ATOM 247 CZ PHE A 18 -41.177 13.406 11.332 1.00 0.00 C ATOM 0 H PHE A 18 -41.605 7.567 10.855 1.00 0.00 H new ATOM 0 HA PHE A 18 -39.429 7.523 11.482 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -38.337 9.633 10.837 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -39.622 9.216 9.721 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -41.976 10.315 10.259 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -38.241 11.791 11.681 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -42.982 12.529 10.599 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -39.245 14.007 12.022 1.00 0.00 H new ATOM 0 HZ PHE A 18 -41.620 14.380 11.482 1.00 0.00 H new ATOM 257 N ASN A 19 -39.570 7.875 14.043 1.00 0.00 N ATOM 258 CA ASN A 19 -39.238 8.112 15.443 1.00 0.00 C ATOM 259 C ASN A 19 -37.775 7.778 15.724 1.00 0.00 C ATOM 260 O ASN A 19 -37.419 7.397 16.839 1.00 0.00 O ATOM 261 CB ASN A 19 -40.146 7.281 16.351 1.00 0.00 C ATOM 262 CG ASN A 19 -41.612 7.622 16.171 1.00 0.00 C ATOM 263 OD1 ASN A 19 -42.028 8.761 16.385 1.00 0.00 O ATOM 264 ND2 ASN A 19 -42.405 6.633 15.776 1.00 0.00 N ATOM 0 H ASN A 19 -39.817 6.909 13.826 1.00 0.00 H new ATOM 0 HA ASN A 19 -39.395 9.170 15.652 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -39.994 6.222 16.142 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -39.863 7.444 17.391 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -43.401 6.802 15.638 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -42.018 5.704 15.610 1.00 0.00 H new ATOM 271 N GLY A 20 -36.932 7.922 14.706 1.00 0.00 N ATOM 272 CA GLY A 20 -35.520 7.631 14.865 1.00 0.00 C ATOM 273 C GLY A 20 -34.649 8.489 13.969 1.00 0.00 C ATOM 274 O GLY A 20 -34.322 9.625 14.312 1.00 0.00 O ATOM 0 H GLY A 20 -37.202 8.235 13.774 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -35.234 7.789 15.905 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -35.341 6.579 14.642 1.00 0.00 H new ATOM 278 N CYS A 21 -34.272 7.944 12.816 1.00 0.00 N ATOM 279 CA CYS A 21 -33.435 8.668 11.866 1.00 0.00 C ATOM 280 C CYS A 21 -33.183 7.836 10.616 1.00 0.00 C ATOM 281 O CYS A 21 -33.225 8.350 9.499 1.00 0.00 O ATOM 282 CB CYS A 21 -32.103 9.049 12.510 1.00 0.00 C ATOM 283 SG CYS A 21 -31.147 7.641 13.121 1.00 0.00 S ATOM 0 H CYS A 21 -34.533 7.004 12.518 1.00 0.00 H new ATOM 0 HA CYS A 21 -33.965 9.576 11.578 1.00 0.00 H new ATOM 0 HB2 CYS A 21 -31.502 9.593 11.781 1.00 0.00 H new ATOM 0 HB3 CYS A 21 -32.294 9.731 13.338 1.00 0.00 H new ATOM 0 HG CYS A 21 -30.036 8.066 13.646 1.00 0.00 H new ATOM 289 N SER A 22 -32.920 6.547 10.812 1.00 0.00 N ATOM 290 CA SER A 22 -32.662 5.647 9.696 1.00 0.00 C ATOM 291 C SER A 22 -31.406 6.063 8.935 1.00 0.00 C ATOM 292 O SER A 22 -31.270 5.783 7.744 1.00 0.00 O ATOM 293 CB SER A 22 -33.863 5.628 8.752 1.00 0.00 C ATOM 294 OG SER A 22 -33.601 4.843 7.602 1.00 0.00 O ATOM 0 H SER A 22 -32.880 6.105 11.730 1.00 0.00 H new ATOM 0 HA SER A 22 -32.502 4.646 10.096 1.00 0.00 H new ATOM 0 HB2 SER A 22 -34.733 5.232 9.275 1.00 0.00 H new ATOM 0 HB3 SER A 22 -34.108 6.647 8.452 1.00 0.00 H new ATOM 0 HG SER A 22 -32.764 5.139 7.187 1.00 0.00 H new ATOM 300 N SER A 23 -30.491 6.734 9.630 1.00 0.00 N ATOM 301 CA SER A 23 -29.246 7.188 9.019 1.00 0.00 C ATOM 302 C SER A 23 -29.521 8.060 7.795 1.00 0.00 C ATOM 303 O SER A 23 -29.231 7.669 6.664 1.00 0.00 O ATOM 304 CB SER A 23 -28.380 5.990 8.624 1.00 0.00 C ATOM 305 OG SER A 23 -28.054 5.201 9.755 1.00 0.00 O ATOM 0 H SER A 23 -30.589 6.975 10.616 1.00 0.00 H new ATOM 0 HA SER A 23 -28.710 7.788 9.754 1.00 0.00 H new ATOM 0 HB2 SER A 23 -28.909 5.380 7.892 1.00 0.00 H new ATOM 0 HB3 SER A 23 -27.466 6.340 8.145 1.00 0.00 H new ATOM 0 HG SER A 23 -27.502 4.441 9.476 1.00 0.00 H new ATOM 311 N PRO A 24 -30.089 9.260 8.007 1.00 0.00 N ATOM 312 CA PRO A 24 -30.405 10.187 6.921 1.00 0.00 C ATOM 313 C PRO A 24 -29.199 11.017 6.485 1.00 0.00 C ATOM 314 O PRO A 24 -29.315 11.890 5.625 1.00 0.00 O ATOM 315 CB PRO A 24 -31.470 11.082 7.545 1.00 0.00 C ATOM 316 CG PRO A 24 -31.114 11.132 8.993 1.00 0.00 C ATOM 317 CD PRO A 24 -30.471 9.807 9.323 1.00 0.00 C ATOM 0 HA PRO A 24 -30.725 9.669 6.017 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -31.463 12.077 7.100 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -32.469 10.673 7.396 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -30.430 11.956 9.196 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -32.001 11.296 9.605 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -29.603 9.934 9.970 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -31.163 9.146 9.845 1.00 0.00 H new ATOM 325 N THR A 25 -28.042 10.742 7.083 1.00 0.00 N ATOM 326 CA THR A 25 -26.821 11.467 6.755 1.00 0.00 C ATOM 327 C THR A 25 -26.390 11.191 5.318 1.00 0.00 C ATOM 328 O THR A 25 -25.924 12.088 4.616 1.00 0.00 O ATOM 329 CB THR A 25 -25.701 11.081 7.720 1.00 0.00 C ATOM 330 OG1 THR A 25 -26.068 11.371 9.057 1.00 0.00 O ATOM 331 CG2 THR A 25 -24.393 11.790 7.439 1.00 0.00 C ATOM 0 H THR A 25 -27.926 10.022 7.797 1.00 0.00 H new ATOM 0 HA THR A 25 -27.025 12.533 6.853 1.00 0.00 H new ATOM 0 HB THR A 25 -25.553 10.011 7.573 1.00 0.00 H new ATOM 0 HG1 THR A 25 -25.339 11.115 9.659 1.00 0.00 H new ATOM 0 HG21 THR A 25 -23.643 11.469 8.161 1.00 0.00 H new ATOM 0 HG22 THR A 25 -24.055 11.545 6.432 1.00 0.00 H new ATOM 0 HG23 THR A 25 -24.538 12.867 7.521 1.00 0.00 H new ATOM 339 N ALA A 26 -26.546 9.943 4.886 1.00 0.00 N ATOM 340 CA ALA A 26 -26.168 9.550 3.533 1.00 0.00 C ATOM 341 C ALA A 26 -26.484 8.079 3.272 1.00 0.00 C ATOM 342 O ALA A 26 -27.284 7.756 2.395 1.00 0.00 O ATOM 343 CB ALA A 26 -24.690 9.824 3.296 1.00 0.00 C ATOM 0 H ALA A 26 -26.931 9.187 5.453 1.00 0.00 H new ATOM 0 HA ALA A 26 -26.755 10.147 2.835 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -24.423 9.526 2.282 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -24.492 10.888 3.425 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -24.095 9.255 4.010 1.00 0.00 H new ATOM 349 N PRO A 27 -25.854 7.161 4.029 1.00 0.00 N ATOM 350 CA PRO A 27 -26.070 5.719 3.871 1.00 0.00 C ATOM 351 C PRO A 27 -27.549 5.348 3.868 1.00 0.00 C ATOM 352 O PRO A 27 -28.373 6.028 4.479 1.00 0.00 O ATOM 353 CB PRO A 27 -25.364 5.100 5.089 1.00 0.00 C ATOM 354 CG PRO A 27 -25.020 6.246 5.985 1.00 0.00 C ATOM 355 CD PRO A 27 -24.884 7.445 5.094 1.00 0.00 C ATOM 0 HA PRO A 27 -25.684 5.360 2.917 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -26.014 4.387 5.597 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -24.469 4.556 4.788 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -25.797 6.403 6.733 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -24.092 6.054 6.524 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -25.118 8.370 5.620 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -23.871 7.548 4.704 1.00 0.00 H new ATOM 363 N LEU A 28 -27.877 4.261 3.174 1.00 0.00 N ATOM 364 CA LEU A 28 -29.255 3.793 3.089 1.00 0.00 C ATOM 365 C LEU A 28 -29.454 2.541 3.936 1.00 0.00 C ATOM 366 O LEU A 28 -30.531 2.319 4.490 1.00 0.00 O ATOM 367 CB LEU A 28 -29.633 3.501 1.634 1.00 0.00 C ATOM 368 CG LEU A 28 -29.548 4.698 0.683 1.00 0.00 C ATOM 369 CD1 LEU A 28 -30.422 5.838 1.181 1.00 0.00 C ATOM 370 CD2 LEU A 28 -28.106 5.155 0.525 1.00 0.00 C ATOM 0 H LEU A 28 -27.206 3.688 2.662 1.00 0.00 H new ATOM 0 HA LEU A 28 -29.903 4.581 3.473 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -28.981 2.712 1.258 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -30.651 3.112 1.611 1.00 0.00 H new ATOM 0 HG LEU A 28 -29.916 4.387 -0.295 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -30.349 6.680 0.493 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -31.458 5.504 1.237 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -30.086 6.148 2.171 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -28.067 6.006 -0.154 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -27.708 5.448 1.497 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -27.508 4.339 0.119 1.00 0.00 H new ATOM 382 N SER A 29 -28.406 1.727 4.033 1.00 0.00 N ATOM 383 CA SER A 29 -28.456 0.494 4.816 1.00 0.00 C ATOM 384 C SER A 29 -27.142 -0.282 4.721 1.00 0.00 C ATOM 385 O SER A 29 -26.606 -0.722 5.737 1.00 0.00 O ATOM 386 CB SER A 29 -29.624 -0.391 4.367 1.00 0.00 C ATOM 387 OG SER A 29 -29.660 -1.599 5.108 1.00 0.00 O ATOM 0 H SER A 29 -27.509 1.899 3.578 1.00 0.00 H new ATOM 0 HA SER A 29 -28.610 0.776 5.858 1.00 0.00 H new ATOM 0 HB2 SER A 29 -30.563 0.147 4.496 1.00 0.00 H new ATOM 0 HB3 SER A 29 -29.528 -0.615 3.305 1.00 0.00 H new ATOM 0 HG SER A 29 -30.414 -2.146 4.805 1.00 0.00 H new ATOM 393 N PRO A 30 -26.595 -0.464 3.502 1.00 0.00 N ATOM 394 CA PRO A 30 -25.335 -1.192 3.309 1.00 0.00 C ATOM 395 C PRO A 30 -24.146 -0.486 3.961 1.00 0.00 C ATOM 396 O PRO A 30 -23.038 -1.022 3.989 1.00 0.00 O ATOM 397 CB PRO A 30 -25.159 -1.230 1.784 1.00 0.00 C ATOM 398 CG PRO A 30 -26.502 -0.901 1.225 1.00 0.00 C ATOM 399 CD PRO A 30 -27.143 0.016 2.223 1.00 0.00 C ATOM 0 HA PRO A 30 -25.371 -2.179 3.769 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -24.409 -0.510 1.456 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -24.824 -2.212 1.451 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -26.414 -0.419 0.251 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -27.098 -1.802 1.082 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -26.886 1.059 2.038 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -28.230 -0.054 2.197 1.00 0.00 H new ATOM 407 N MET A 31 -24.379 0.719 4.482 1.00 0.00 N ATOM 408 CA MET A 31 -23.323 1.490 5.129 1.00 0.00 C ATOM 409 C MET A 31 -22.220 1.843 4.136 1.00 0.00 C ATOM 410 O MET A 31 -21.319 1.043 3.885 1.00 0.00 O ATOM 411 CB MET A 31 -22.734 0.708 6.307 1.00 0.00 C ATOM 412 CG MET A 31 -21.602 1.428 7.032 1.00 0.00 C ATOM 413 SD MET A 31 -22.155 2.873 7.964 1.00 0.00 S ATOM 414 CE MET A 31 -22.473 4.047 6.651 1.00 0.00 C ATOM 0 H MET A 31 -25.289 1.180 4.468 1.00 0.00 H new ATOM 0 HA MET A 31 -23.763 2.415 5.502 1.00 0.00 H new ATOM 0 HB2 MET A 31 -23.530 0.494 7.021 1.00 0.00 H new ATOM 0 HB3 MET A 31 -22.366 -0.251 5.944 1.00 0.00 H new ATOM 0 HG2 MET A 31 -21.114 0.730 7.713 1.00 0.00 H new ATOM 0 HG3 MET A 31 -20.853 1.739 6.304 1.00 0.00 H new ATOM 0 HE1 MET A 31 -22.402 5.061 7.044 1.00 0.00 H new ATOM 0 HE2 MET A 31 -21.738 3.913 5.857 1.00 0.00 H new ATOM 0 HE3 MET A 31 -23.473 3.883 6.250 1.00 0.00 H new ATOM 424 N SER A 32 -22.296 3.047 3.580 1.00 0.00 N ATOM 425 CA SER A 32 -21.302 3.512 2.620 1.00 0.00 C ATOM 426 C SER A 32 -20.538 4.710 3.178 1.00 0.00 C ATOM 427 O SER A 32 -20.860 5.858 2.872 1.00 0.00 O ATOM 428 CB SER A 32 -21.976 3.889 1.299 1.00 0.00 C ATOM 429 OG SER A 32 -22.659 2.781 0.739 1.00 0.00 O ATOM 0 H SER A 32 -23.037 3.720 3.778 1.00 0.00 H new ATOM 0 HA SER A 32 -20.595 2.702 2.437 1.00 0.00 H new ATOM 0 HB2 SER A 32 -22.678 4.706 1.466 1.00 0.00 H new ATOM 0 HB3 SER A 32 -21.226 4.251 0.595 1.00 0.00 H new ATOM 0 HG SER A 32 -23.082 3.049 -0.103 1.00 0.00 H new ATOM 435 N PRO A 33 -19.513 4.457 4.010 1.00 0.00 N ATOM 436 CA PRO A 33 -18.707 5.522 4.614 1.00 0.00 C ATOM 437 C PRO A 33 -18.083 6.448 3.569 1.00 0.00 C ATOM 438 O PRO A 33 -18.158 7.670 3.695 1.00 0.00 O ATOM 439 CB PRO A 33 -17.619 4.769 5.386 1.00 0.00 C ATOM 440 CG PRO A 33 -18.173 3.402 5.605 1.00 0.00 C ATOM 441 CD PRO A 33 -19.063 3.118 4.429 1.00 0.00 C ATOM 0 HA PRO A 33 -19.312 6.174 5.244 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -16.688 4.731 4.820 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -17.396 5.260 6.333 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -17.373 2.664 5.675 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -18.734 3.354 6.538 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -18.524 2.607 3.631 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -19.903 2.480 4.705 1.00 0.00 H new ATOM 449 N PRO A 34 -17.457 5.883 2.519 1.00 0.00 N ATOM 450 CA PRO A 34 -16.828 6.679 1.464 1.00 0.00 C ATOM 451 C PRO A 34 -17.842 7.215 0.459 1.00 0.00 C ATOM 452 O PRO A 34 -17.813 8.392 0.100 1.00 0.00 O ATOM 453 CB PRO A 34 -15.883 5.683 0.798 1.00 0.00 C ATOM 454 CG PRO A 34 -16.542 4.358 0.978 1.00 0.00 C ATOM 455 CD PRO A 34 -17.312 4.433 2.274 1.00 0.00 C ATOM 0 HA PRO A 34 -16.329 7.565 1.857 1.00 0.00 H new ATOM 0 HB2 PRO A 34 -15.743 5.915 -0.258 1.00 0.00 H new ATOM 0 HB3 PRO A 34 -14.897 5.701 1.262 1.00 0.00 H new ATOM 0 HG2 PRO A 34 -17.208 4.140 0.143 1.00 0.00 H new ATOM 0 HG3 PRO A 34 -15.802 3.558 1.012 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -18.282 3.943 2.191 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -16.776 3.942 3.086 1.00 0.00 H new ATOM 463 N GLY A 35 -18.738 6.343 0.008 1.00 0.00 N ATOM 464 CA GLY A 35 -19.749 6.745 -0.952 1.00 0.00 C ATOM 465 C GLY A 35 -19.451 6.248 -2.353 1.00 0.00 C ATOM 466 O GLY A 35 -20.033 6.730 -3.324 1.00 0.00 O ATOM 0 H GLY A 35 -18.782 5.364 0.291 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -20.719 6.364 -0.634 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -19.822 7.832 -0.964 1.00 0.00 H new ATOM 470 N TYR A 36 -18.543 5.282 -2.460 1.00 0.00 N ATOM 471 CA TYR A 36 -18.172 4.724 -3.754 1.00 0.00 C ATOM 472 C TYR A 36 -17.950 3.218 -3.655 1.00 0.00 C ATOM 473 O TYR A 36 -17.147 2.650 -4.395 1.00 0.00 O ATOM 474 CB TYR A 36 -16.907 5.403 -4.279 1.00 0.00 C ATOM 475 CG TYR A 36 -17.011 6.910 -4.339 1.00 0.00 C ATOM 476 CD1 TYR A 36 -18.052 7.525 -5.021 1.00 0.00 C ATOM 477 CD2 TYR A 36 -16.065 7.717 -3.718 1.00 0.00 C ATOM 478 CE1 TYR A 36 -18.150 8.902 -5.082 1.00 0.00 C ATOM 479 CE2 TYR A 36 -16.157 9.095 -3.774 1.00 0.00 C ATOM 480 CZ TYR A 36 -17.201 9.682 -4.457 1.00 0.00 C ATOM 481 OH TYR A 36 -17.295 11.054 -4.516 1.00 0.00 O ATOM 0 H TYR A 36 -18.052 4.871 -1.666 1.00 0.00 H new ATOM 0 HA TYR A 36 -18.991 4.907 -4.449 1.00 0.00 H new ATOM 0 HB2 TYR A 36 -16.066 5.130 -3.641 1.00 0.00 H new ATOM 0 HB3 TYR A 36 -16.687 5.022 -5.276 1.00 0.00 H new ATOM 0 HD1 TYR A 36 -18.798 6.917 -5.512 1.00 0.00 H new ATOM 0 HD2 TYR A 36 -15.245 7.260 -3.183 1.00 0.00 H new ATOM 0 HE1 TYR A 36 -18.966 9.365 -5.617 1.00 0.00 H new ATOM 0 HE2 TYR A 36 -15.415 9.709 -3.285 1.00 0.00 H new ATOM 0 HH TYR A 36 -16.548 11.455 -4.023 1.00 0.00 H new ATOM 491 N LYS A 37 -18.665 2.578 -2.735 1.00 0.00 N ATOM 492 CA LYS A 37 -18.542 1.138 -2.540 1.00 0.00 C ATOM 493 C LYS A 37 -19.913 0.485 -2.400 1.00 0.00 C ATOM 494 O LYS A 37 -20.053 -0.551 -1.750 1.00 0.00 O ATOM 495 CB LYS A 37 -17.696 0.842 -1.301 1.00 0.00 C ATOM 496 CG LYS A 37 -16.289 1.411 -1.375 1.00 0.00 C ATOM 497 CD LYS A 37 -15.494 1.093 -0.120 1.00 0.00 C ATOM 498 CE LYS A 37 -14.088 1.668 -0.190 1.00 0.00 C ATOM 499 NZ LYS A 37 -13.302 1.363 1.038 1.00 0.00 N ATOM 0 H LYS A 37 -19.334 3.033 -2.114 1.00 0.00 H new ATOM 0 HA LYS A 37 -18.050 0.720 -3.418 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -18.198 1.249 -0.423 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -17.636 -0.237 -1.162 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -15.776 1.003 -2.246 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -16.339 2.491 -1.512 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -16.010 1.497 0.751 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -15.440 0.013 0.014 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -13.573 1.263 -1.061 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -14.144 2.748 -0.327 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -12.350 1.772 0.951 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -13.780 1.771 1.866 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -13.227 0.332 1.155 1.00 0.00 H new ATOM 513 N LEU A 38 -20.923 1.094 -3.014 1.00 0.00 N ATOM 514 CA LEU A 38 -22.280 0.565 -2.954 1.00 0.00 C ATOM 515 C LEU A 38 -22.364 -0.805 -3.621 1.00 0.00 C ATOM 516 O LEU A 38 -21.743 -1.040 -4.657 1.00 0.00 O ATOM 517 CB LEU A 38 -23.268 1.546 -3.600 1.00 0.00 C ATOM 518 CG LEU A 38 -22.911 2.018 -5.014 1.00 0.00 C ATOM 519 CD1 LEU A 38 -23.008 0.873 -6.010 1.00 0.00 C ATOM 520 CD2 LEU A 38 -23.817 3.168 -5.432 1.00 0.00 C ATOM 0 H LEU A 38 -20.827 1.952 -3.557 1.00 0.00 H new ATOM 0 HA LEU A 38 -22.551 0.443 -1.905 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -24.250 1.075 -3.632 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -23.355 2.421 -2.956 1.00 0.00 H new ATOM 0 HG LEU A 38 -21.880 2.371 -5.006 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -22.750 1.234 -7.006 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -22.318 0.080 -5.721 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -24.026 0.483 -6.018 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -23.552 3.493 -6.438 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -24.855 2.836 -5.420 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -23.693 3.999 -4.738 1.00 0.00 H new ATOM 532 N VAL A 39 -23.126 -1.710 -3.005 1.00 0.00 N ATOM 533 CA VAL A 39 -23.301 -3.073 -3.513 1.00 0.00 C ATOM 534 C VAL A 39 -22.133 -3.979 -3.121 1.00 0.00 C ATOM 535 O VAL A 39 -22.305 -5.190 -2.980 1.00 0.00 O ATOM 536 CB VAL A 39 -23.475 -3.107 -5.047 1.00 0.00 C ATOM 537 CG1 VAL A 39 -23.749 -4.526 -5.526 1.00 0.00 C ATOM 538 CG2 VAL A 39 -24.592 -2.169 -5.478 1.00 0.00 C ATOM 0 H VAL A 39 -23.638 -1.521 -2.143 1.00 0.00 H new ATOM 0 HA VAL A 39 -24.214 -3.447 -3.050 1.00 0.00 H new ATOM 0 HB VAL A 39 -22.546 -2.767 -5.505 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -23.868 -4.528 -6.609 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -22.913 -5.170 -5.252 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -24.662 -4.898 -5.060 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -24.700 -2.206 -6.562 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -25.527 -2.477 -5.009 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -24.351 -1.151 -5.172 1.00 0.00 H new ATOM 548 N THR A 40 -20.951 -3.391 -2.945 1.00 0.00 N ATOM 549 CA THR A 40 -19.760 -4.149 -2.570 1.00 0.00 C ATOM 550 C THR A 40 -19.344 -5.104 -3.685 1.00 0.00 C ATOM 551 O THR A 40 -18.310 -4.913 -4.326 1.00 0.00 O ATOM 552 CB THR A 40 -20.004 -4.929 -1.275 1.00 0.00 C ATOM 553 OG1 THR A 40 -20.352 -4.050 -0.219 1.00 0.00 O ATOM 554 CG2 THR A 40 -18.804 -5.733 -0.824 1.00 0.00 C ATOM 0 H THR A 40 -20.793 -2.390 -3.057 1.00 0.00 H new ATOM 0 HA THR A 40 -18.950 -3.438 -2.406 1.00 0.00 H new ATOM 0 HB THR A 40 -20.818 -5.618 -1.502 1.00 0.00 H new ATOM 0 HG1 THR A 40 -20.506 -4.567 0.599 1.00 0.00 H new ATOM 0 HG21 THR A 40 -19.046 -6.261 0.099 1.00 0.00 H new ATOM 0 HG22 THR A 40 -18.539 -6.455 -1.596 1.00 0.00 H new ATOM 0 HG23 THR A 40 -17.962 -5.063 -0.649 1.00 0.00 H new ATOM 562 N GLY A 41 -20.154 -6.133 -3.911 1.00 0.00 N ATOM 563 CA GLY A 41 -19.852 -7.102 -4.948 1.00 0.00 C ATOM 564 C GLY A 41 -19.136 -8.329 -4.412 1.00 0.00 C ATOM 565 O GLY A 41 -18.626 -9.142 -5.183 1.00 0.00 O ATOM 0 H GLY A 41 -21.015 -6.313 -3.394 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -20.778 -7.410 -5.433 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -19.234 -6.630 -5.712 1.00 0.00 H new ATOM 569 N ASP A 42 -19.097 -8.466 -3.089 1.00 0.00 N ATOM 570 CA ASP A 42 -18.438 -9.603 -2.457 1.00 0.00 C ATOM 571 C ASP A 42 -19.450 -10.487 -1.735 1.00 0.00 C ATOM 572 O ASP A 42 -19.276 -11.703 -1.649 1.00 0.00 O ATOM 573 CB ASP A 42 -17.373 -9.118 -1.473 1.00 0.00 C ATOM 574 CG ASP A 42 -16.296 -8.290 -2.147 1.00 0.00 C ATOM 575 OD1 ASP A 42 -15.623 -8.820 -3.056 1.00 0.00 O ATOM 576 OD2 ASP A 42 -16.127 -7.113 -1.767 1.00 0.00 O ATOM 0 H ASP A 42 -19.514 -7.804 -2.435 1.00 0.00 H new ATOM 0 HA ASP A 42 -17.960 -10.194 -3.238 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -17.848 -8.525 -0.692 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -16.914 -9.978 -0.986 1.00 0.00 H new ATOM 581 N ARG A 43 -20.505 -9.869 -1.215 1.00 0.00 N ATOM 582 CA ARG A 43 -21.544 -10.600 -0.499 1.00 0.00 C ATOM 583 C ARG A 43 -22.835 -10.645 -1.310 1.00 0.00 C ATOM 584 O ARG A 43 -23.491 -11.683 -1.395 1.00 0.00 O ATOM 585 CB ARG A 43 -21.805 -9.952 0.861 1.00 0.00 C ATOM 586 CG ARG A 43 -22.274 -8.508 0.765 1.00 0.00 C ATOM 587 CD ARG A 43 -22.509 -7.886 2.136 1.00 0.00 C ATOM 588 NE ARG A 43 -21.290 -7.841 2.944 1.00 0.00 N ATOM 589 CZ ARG A 43 -20.805 -8.877 3.627 1.00 0.00 C ATOM 590 NH1 ARG A 43 -21.481 -10.017 3.693 1.00 0.00 N ATOM 591 NH2 ARG A 43 -19.653 -8.762 4.273 1.00 0.00 N ATOM 0 H ARG A 43 -20.663 -8.863 -1.276 1.00 0.00 H new ATOM 0 HA ARG A 43 -21.196 -11.622 -0.347 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -22.556 -10.535 1.394 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -20.891 -9.990 1.454 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -21.531 -7.922 0.225 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -23.196 -8.465 0.186 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -22.897 -6.875 2.012 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -23.272 -8.457 2.665 1.00 0.00 H new ATOM 0 HE ARG A 43 -20.779 -6.960 2.987 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -22.380 -10.105 3.218 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -21.102 -10.805 4.218 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -19.139 -7.881 4.247 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -19.280 -9.554 4.796 1.00 0.00 H new ATOM 605 N ASN A 44 -23.194 -9.512 -1.904 1.00 0.00 N ATOM 606 CA ASN A 44 -24.407 -9.422 -2.708 1.00 0.00 C ATOM 607 C ASN A 44 -24.288 -10.274 -3.968 1.00 0.00 C ATOM 608 O ASN A 44 -25.009 -11.257 -4.135 1.00 0.00 O ATOM 609 CB ASN A 44 -24.687 -7.965 -3.085 1.00 0.00 C ATOM 610 CG ASN A 44 -25.957 -7.810 -3.899 1.00 0.00 C ATOM 611 OD1 ASN A 44 -27.046 -8.162 -3.446 1.00 0.00 O ATOM 612 ND2 ASN A 44 -25.823 -7.280 -5.110 1.00 0.00 N ATOM 0 H ASN A 44 -22.662 -8.644 -1.844 1.00 0.00 H new ATOM 0 HA ASN A 44 -25.238 -9.801 -2.113 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -24.766 -7.367 -2.177 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -23.844 -7.572 -3.654 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -26.642 -7.151 -5.704 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -24.901 -7.002 -5.446 1.00 0.00 H new ATOM 619 N ASN A 45 -23.373 -9.889 -4.852 1.00 0.00 N ATOM 620 CA ASN A 45 -23.161 -10.619 -6.097 1.00 0.00 C ATOM 621 C ASN A 45 -22.234 -11.810 -5.879 1.00 0.00 C ATOM 622 O ASN A 45 -22.386 -12.847 -6.523 1.00 0.00 O ATOM 623 CB ASN A 45 -22.575 -9.691 -7.163 1.00 0.00 C ATOM 624 CG ASN A 45 -23.487 -8.522 -7.477 1.00 0.00 C ATOM 625 OD1 ASN A 45 -24.625 -8.707 -7.908 1.00 0.00 O ATOM 626 ND2 ASN A 45 -22.990 -7.309 -7.264 1.00 0.00 N ATOM 0 H ASN A 45 -22.768 -9.077 -4.730 1.00 0.00 H new ATOM 0 HA ASN A 45 -24.127 -10.991 -6.439 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -21.611 -9.314 -6.822 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -22.391 -10.260 -8.074 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -23.557 -6.484 -7.459 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -22.041 -7.202 -6.906 1.00 0.00 H new ATOM 633 N SER A 46 -21.270 -11.643 -4.968 1.00 0.00 N ATOM 634 CA SER A 46 -20.292 -12.683 -4.638 1.00 0.00 C ATOM 635 C SER A 46 -19.082 -12.610 -5.565 1.00 0.00 C ATOM 636 O SER A 46 -17.967 -12.948 -5.169 1.00 0.00 O ATOM 637 CB SER A 46 -20.914 -14.083 -4.696 1.00 0.00 C ATOM 638 OG SER A 46 -22.073 -14.164 -3.884 1.00 0.00 O ATOM 0 H SER A 46 -21.146 -10.780 -4.438 1.00 0.00 H new ATOM 0 HA SER A 46 -19.963 -12.500 -3.615 1.00 0.00 H new ATOM 0 HB2 SER A 46 -21.171 -14.327 -5.727 1.00 0.00 H new ATOM 0 HB3 SER A 46 -20.184 -14.822 -4.366 1.00 0.00 H new ATOM 0 HG SER A 46 -22.450 -15.067 -3.941 1.00 0.00 H new ATOM 644 N SER A 47 -19.306 -12.161 -6.797 1.00 0.00 N ATOM 645 CA SER A 47 -18.233 -12.033 -7.776 1.00 0.00 C ATOM 646 C SER A 47 -17.429 -13.327 -7.886 1.00 0.00 C ATOM 647 O SER A 47 -16.208 -13.328 -7.729 1.00 0.00 O ATOM 648 CB SER A 47 -17.315 -10.871 -7.393 1.00 0.00 C ATOM 649 OG SER A 47 -16.638 -11.134 -6.176 1.00 0.00 O ATOM 0 H SER A 47 -20.224 -11.879 -7.141 1.00 0.00 H new ATOM 0 HA SER A 47 -18.681 -11.832 -8.749 1.00 0.00 H new ATOM 0 HB2 SER A 47 -16.588 -10.701 -8.187 1.00 0.00 H new ATOM 0 HB3 SER A 47 -17.901 -9.957 -7.296 1.00 0.00 H new ATOM 0 HG SER A 47 -16.684 -12.092 -5.976 1.00 0.00 H new ATOM 655 N CYS A 48 -18.124 -14.427 -8.158 1.00 0.00 N ATOM 656 CA CYS A 48 -17.476 -15.728 -8.290 1.00 0.00 C ATOM 657 C CYS A 48 -17.491 -16.206 -9.740 1.00 0.00 C ATOM 658 O CYS A 48 -16.700 -17.066 -10.126 1.00 0.00 O ATOM 659 CB CYS A 48 -18.167 -16.758 -7.393 1.00 0.00 C ATOM 660 SG CYS A 48 -17.425 -18.406 -7.456 1.00 0.00 S ATOM 0 H CYS A 48 -19.135 -14.444 -8.291 1.00 0.00 H new ATOM 0 HA CYS A 48 -16.438 -15.620 -7.977 1.00 0.00 H new ATOM 0 HB2 CYS A 48 -18.145 -16.400 -6.364 1.00 0.00 H new ATOM 0 HB3 CYS A 48 -19.215 -16.832 -7.683 1.00 0.00 H new ATOM 0 HG CYS A 48 -16.789 -18.553 -8.580 1.00 0.00 H new ATOM 666 N ARG A 49 -18.392 -15.643 -10.542 1.00 0.00 N ATOM 667 CA ARG A 49 -18.499 -16.018 -11.948 1.00 0.00 C ATOM 668 C ARG A 49 -19.311 -14.986 -12.725 1.00 0.00 C ATOM 669 O ARG A 49 -20.016 -15.325 -13.676 1.00 0.00 O ATOM 670 CB ARG A 49 -19.138 -17.404 -12.090 1.00 0.00 C ATOM 671 CG ARG A 49 -20.620 -17.451 -11.741 1.00 0.00 C ATOM 672 CD ARG A 49 -20.883 -17.023 -10.306 1.00 0.00 C ATOM 673 NE ARG A 49 -22.286 -17.195 -9.935 1.00 0.00 N ATOM 674 CZ ARG A 49 -22.785 -16.868 -8.745 1.00 0.00 C ATOM 675 NH1 ARG A 49 -22.002 -16.342 -7.811 1.00 0.00 N ATOM 676 NH2 ARG A 49 -24.071 -17.065 -8.490 1.00 0.00 N ATOM 0 H ARG A 49 -19.056 -14.928 -10.243 1.00 0.00 H new ATOM 0 HA ARG A 49 -17.492 -16.052 -12.364 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -19.008 -17.748 -13.116 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -18.604 -18.105 -11.449 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -21.173 -16.801 -12.420 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -20.996 -18.463 -11.892 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -20.255 -17.606 -9.632 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -20.600 -15.978 -10.181 1.00 0.00 H new ATOM 0 HE ARG A 49 -22.921 -17.589 -10.629 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -21.012 -16.186 -8.003 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -22.390 -16.093 -6.901 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -24.677 -17.467 -9.205 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -24.454 -16.815 -7.578 1.00 0.00 H new ATOM 690 N ASN A 50 -19.206 -13.726 -12.315 1.00 0.00 N ATOM 691 CA ASN A 50 -19.930 -12.645 -12.973 1.00 0.00 C ATOM 692 C ASN A 50 -19.021 -11.892 -13.939 1.00 0.00 C ATOM 693 O ASN A 50 -19.089 -10.667 -14.044 1.00 0.00 O ATOM 694 CB ASN A 50 -20.501 -11.680 -11.933 1.00 0.00 C ATOM 695 CG ASN A 50 -21.464 -12.360 -10.980 1.00 0.00 C ATOM 696 OD1 ASN A 50 -21.097 -13.297 -10.272 1.00 0.00 O ATOM 697 ND2 ASN A 50 -22.707 -11.891 -10.959 1.00 0.00 N ATOM 0 H ASN A 50 -18.626 -13.429 -11.530 1.00 0.00 H new ATOM 0 HA ASN A 50 -20.751 -13.082 -13.541 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -19.683 -11.238 -11.364 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -21.014 -10.864 -12.442 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -23.400 -12.310 -10.339 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -22.968 -11.112 -11.563 1.00 0.00 H new ATOM 704 N TYR A 51 -18.171 -12.634 -14.643 1.00 0.00 N ATOM 705 CA TYR A 51 -17.244 -12.043 -15.603 1.00 0.00 C ATOM 706 C TYR A 51 -16.240 -11.129 -14.905 1.00 0.00 C ATOM 707 O TYR A 51 -15.088 -11.509 -14.690 1.00 0.00 O ATOM 708 CB TYR A 51 -18.010 -11.264 -16.676 1.00 0.00 C ATOM 709 CG TYR A 51 -18.954 -12.120 -17.489 1.00 0.00 C ATOM 710 CD1 TYR A 51 -18.482 -13.193 -18.234 1.00 0.00 C ATOM 711 CD2 TYR A 51 -20.318 -11.856 -17.510 1.00 0.00 C ATOM 712 CE1 TYR A 51 -19.341 -13.978 -18.979 1.00 0.00 C ATOM 713 CE2 TYR A 51 -21.184 -12.637 -18.252 1.00 0.00 C ATOM 714 CZ TYR A 51 -20.691 -13.696 -18.984 1.00 0.00 C ATOM 715 OH TYR A 51 -21.550 -14.476 -19.724 1.00 0.00 O ATOM 0 H TYR A 51 -18.105 -13.649 -14.566 1.00 0.00 H new ATOM 0 HA TYR A 51 -16.693 -12.853 -16.081 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -18.578 -10.466 -16.198 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -17.295 -10.788 -17.347 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -17.426 -13.418 -18.231 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -20.708 -11.027 -16.937 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -18.957 -14.808 -19.554 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -22.242 -12.419 -18.258 1.00 0.00 H new ATOM 0 HH TYR A 51 -22.466 -14.144 -19.618 1.00 0.00 H new ATOM 725 N ASN A 52 -16.680 -9.925 -14.551 1.00 0.00 N ATOM 726 CA ASN A 52 -15.817 -8.962 -13.877 1.00 0.00 C ATOM 727 C ASN A 52 -16.578 -7.681 -13.553 1.00 0.00 C ATOM 728 O ASN A 52 -17.218 -7.090 -14.422 1.00 0.00 O ATOM 729 CB ASN A 52 -14.601 -8.637 -14.748 1.00 0.00 C ATOM 730 CG ASN A 52 -14.990 -8.044 -16.087 1.00 0.00 C ATOM 731 OD1 ASN A 52 -15.699 -8.670 -16.874 1.00 0.00 O ATOM 732 ND2 ASN A 52 -14.527 -6.828 -16.353 1.00 0.00 N ATOM 0 H ASN A 52 -17.630 -9.593 -14.720 1.00 0.00 H new ATOM 0 HA ASN A 52 -15.479 -9.409 -12.942 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -13.955 -7.937 -14.218 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -14.021 -9.546 -14.911 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -14.756 -6.377 -17.239 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -13.942 -6.345 -15.671 1.00 0.00 H new ATOM 739 N LYS A 53 -16.504 -7.257 -12.295 1.00 0.00 N ATOM 740 CA LYS A 53 -17.186 -6.045 -11.855 1.00 0.00 C ATOM 741 C LYS A 53 -16.181 -4.996 -11.390 1.00 0.00 C ATOM 742 O LYS A 53 -16.429 -4.265 -10.431 1.00 0.00 O ATOM 743 CB LYS A 53 -18.165 -6.367 -10.724 1.00 0.00 C ATOM 744 CG LYS A 53 -19.247 -7.359 -11.119 1.00 0.00 C ATOM 745 CD LYS A 53 -20.191 -7.643 -9.962 1.00 0.00 C ATOM 746 CE LYS A 53 -21.275 -8.632 -10.358 1.00 0.00 C ATOM 747 NZ LYS A 53 -22.103 -8.128 -11.488 1.00 0.00 N ATOM 0 H LYS A 53 -15.979 -7.735 -11.563 1.00 0.00 H new ATOM 0 HA LYS A 53 -17.741 -5.642 -12.702 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -17.609 -6.767 -9.876 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -18.636 -5.443 -10.388 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -19.813 -6.965 -11.963 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -18.786 -8.289 -11.451 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -19.626 -8.039 -9.119 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -20.650 -6.712 -9.629 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -20.816 -9.580 -10.639 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -21.916 -8.831 -9.499 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -22.946 -8.727 -11.595 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -22.396 -7.149 -11.294 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -21.546 -8.155 -12.366 1.00 0.00 H new ATOM 761 N GLN A 54 -15.045 -4.928 -12.077 1.00 0.00 N ATOM 762 CA GLN A 54 -14.001 -3.969 -11.735 1.00 0.00 C ATOM 763 C GLN A 54 -14.340 -2.581 -12.269 1.00 0.00 C ATOM 764 O GLN A 54 -14.512 -1.634 -11.501 1.00 0.00 O ATOM 765 CB GLN A 54 -12.654 -4.428 -12.296 1.00 0.00 C ATOM 766 CG GLN A 54 -12.205 -5.781 -11.768 1.00 0.00 C ATOM 767 CD GLN A 54 -10.869 -6.215 -12.340 1.00 0.00 C ATOM 768 OE1 GLN A 54 -9.856 -5.537 -12.166 1.00 0.00 O ATOM 769 NE2 GLN A 54 -10.861 -7.350 -13.028 1.00 0.00 N ATOM 0 H GLN A 54 -14.824 -5.526 -12.874 1.00 0.00 H new ATOM 0 HA GLN A 54 -13.935 -3.914 -10.648 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -12.719 -4.475 -13.383 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -11.896 -3.683 -12.054 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -12.134 -5.738 -10.681 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -12.960 -6.530 -12.009 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -11.724 -7.880 -13.147 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -9.992 -7.692 -13.437 1.00 0.00 H new ATOM 778 N ALA A 55 -14.433 -2.467 -13.590 1.00 0.00 N ATOM 779 CA ALA A 55 -14.750 -1.194 -14.226 1.00 0.00 C ATOM 780 C ALA A 55 -13.706 -0.138 -13.884 1.00 0.00 C ATOM 781 O ALA A 55 -14.037 1.022 -13.636 1.00 0.00 O ATOM 782 CB ALA A 55 -16.136 -0.726 -13.809 1.00 0.00 C ATOM 0 H ALA A 55 -14.293 -3.240 -14.240 1.00 0.00 H new ATOM 0 HA ALA A 55 -14.740 -1.341 -15.306 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -16.359 0.226 -14.291 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -16.876 -1.468 -14.110 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -16.167 -0.600 -12.727 1.00 0.00 H new ATOM 788 N SER A 56 -12.443 -0.548 -13.875 1.00 0.00 N ATOM 789 CA SER A 56 -11.346 0.360 -13.565 1.00 0.00 C ATOM 790 C SER A 56 -10.001 -0.305 -13.839 1.00 0.00 C ATOM 791 O SER A 56 -9.275 -0.668 -12.913 1.00 0.00 O ATOM 792 CB SER A 56 -11.423 0.805 -12.104 1.00 0.00 C ATOM 793 OG SER A 56 -11.334 -0.304 -11.226 1.00 0.00 O ATOM 0 H SER A 56 -12.153 -1.504 -14.079 1.00 0.00 H new ATOM 0 HA SER A 56 -11.436 1.236 -14.207 1.00 0.00 H new ATOM 0 HB2 SER A 56 -10.616 1.506 -11.892 1.00 0.00 H new ATOM 0 HB3 SER A 56 -12.360 1.335 -11.931 1.00 0.00 H new ATOM 0 HG SER A 56 -10.503 -0.793 -11.400 1.00 0.00 H new ATOM 799 N GLU A 57 -9.677 -0.463 -15.119 1.00 0.00 N ATOM 800 CA GLU A 57 -8.421 -1.087 -15.521 1.00 0.00 C ATOM 801 C GLU A 57 -7.224 -0.236 -15.101 1.00 0.00 C ATOM 802 O GLU A 57 -6.598 0.427 -15.926 1.00 0.00 O ATOM 803 CB GLU A 57 -8.402 -1.318 -17.035 1.00 0.00 C ATOM 804 CG GLU A 57 -8.657 -0.061 -17.853 1.00 0.00 C ATOM 805 CD GLU A 57 -8.641 -0.327 -19.346 1.00 0.00 C ATOM 806 OE1 GLU A 57 -9.468 -1.138 -19.813 1.00 0.00 O ATOM 807 OE2 GLU A 57 -7.803 0.277 -20.047 1.00 0.00 O ATOM 0 H GLU A 57 -10.268 -0.167 -15.896 1.00 0.00 H new ATOM 0 HA GLU A 57 -8.346 -2.050 -15.015 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -7.435 -1.733 -17.317 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -9.155 -2.064 -17.288 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -9.622 0.362 -17.573 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -7.900 0.685 -17.612 1.00 0.00 H new ATOM 814 N GLN A 58 -6.911 -0.265 -13.810 1.00 0.00 N ATOM 815 CA GLN A 58 -5.789 0.499 -13.277 1.00 0.00 C ATOM 816 C GLN A 58 -4.891 -0.386 -12.419 1.00 0.00 C ATOM 817 O GLN A 58 -4.291 0.076 -11.449 1.00 0.00 O ATOM 818 CB GLN A 58 -6.298 1.682 -12.451 1.00 0.00 C ATOM 819 CG GLN A 58 -7.173 2.642 -13.240 1.00 0.00 C ATOM 820 CD GLN A 58 -6.454 3.242 -14.432 1.00 0.00 C ATOM 821 OE1 GLN A 58 -6.988 3.008 -15.625 1.00 0.00 O flip ATOM 822 NE2 GLN A 58 -5.430 3.909 -14.282 1.00 0.00 N flip ATOM 0 H GLN A 58 -7.419 -0.810 -13.113 1.00 0.00 H new ATOM 0 HA GLN A 58 -5.205 0.876 -14.116 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -6.864 1.304 -11.600 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -5.445 2.228 -12.049 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -8.063 2.116 -13.585 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -7.510 3.444 -12.583 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -5.055 4.064 -13.346 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -4.957 4.307 -15.093 1.00 0.00 H new ATOM 831 N ASN A 59 -4.804 -1.662 -12.785 1.00 0.00 N ATOM 832 CA ASN A 59 -3.978 -2.614 -12.049 1.00 0.00 C ATOM 833 C ASN A 59 -2.527 -2.578 -12.526 1.00 0.00 C ATOM 834 O ASN A 59 -1.704 -3.382 -12.090 1.00 0.00 O ATOM 835 CB ASN A 59 -4.539 -4.029 -12.200 1.00 0.00 C ATOM 836 CG ASN A 59 -5.955 -4.148 -11.671 1.00 0.00 C ATOM 837 OD1 ASN A 59 -6.213 -3.902 -10.493 1.00 0.00 O ATOM 838 ND2 ASN A 59 -6.882 -4.529 -12.543 1.00 0.00 N ATOM 0 H ASN A 59 -5.295 -2.060 -13.586 1.00 0.00 H new ATOM 0 HA ASN A 59 -3.998 -2.328 -10.997 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -4.522 -4.314 -13.252 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -3.895 -4.731 -11.669 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -7.853 -4.628 -12.245 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -6.623 -4.723 -13.510 1.00 0.00 H new ATOM 845 N TRP A 60 -2.218 -1.645 -13.422 1.00 0.00 N ATOM 846 CA TRP A 60 -0.867 -1.516 -13.951 1.00 0.00 C ATOM 847 C TRP A 60 -0.380 -0.072 -13.863 1.00 0.00 C ATOM 848 O TRP A 60 0.780 0.182 -13.541 1.00 0.00 O ATOM 849 CB TRP A 60 -0.828 -2.003 -15.397 1.00 0.00 C ATOM 850 CG TRP A 60 -1.880 -1.372 -16.254 1.00 0.00 C ATOM 851 CD1 TRP A 60 -3.232 -1.487 -16.103 1.00 0.00 C ATOM 852 CD2 TRP A 60 -1.672 -0.526 -17.389 1.00 0.00 C ATOM 853 NE1 TRP A 60 -3.877 -0.762 -17.072 1.00 0.00 N ATOM 854 CE2 TRP A 60 -2.943 -0.164 -17.874 1.00 0.00 C ATOM 855 CE3 TRP A 60 -0.537 -0.037 -18.042 1.00 0.00 C ATOM 856 CZ2 TRP A 60 -3.110 0.662 -18.978 1.00 0.00 C ATOM 857 CZ3 TRP A 60 -0.705 0.784 -19.141 1.00 0.00 C ATOM 858 CH2 TRP A 60 -1.983 1.127 -19.599 1.00 0.00 C ATOM 0 H TRP A 60 -2.885 -0.969 -13.795 1.00 0.00 H new ATOM 0 HA TRP A 60 -0.200 -2.132 -13.348 1.00 0.00 H new ATOM 0 HB2 TRP A 60 0.154 -1.790 -15.820 1.00 0.00 H new ATOM 0 HB3 TRP A 60 -0.954 -3.086 -15.414 1.00 0.00 H new ATOM 0 HD1 TRP A 60 -3.722 -2.064 -15.333 1.00 0.00 H new ATOM 0 HE1 TRP A 60 -4.888 -0.682 -17.178 1.00 0.00 H new ATOM 0 HE3 TRP A 60 0.452 -0.296 -17.694 1.00 0.00 H new ATOM 0 HZ2 TRP A 60 -4.095 0.928 -19.334 1.00 0.00 H new ATOM 0 HZ3 TRP A 60 0.164 1.167 -19.655 1.00 0.00 H new ATOM 0 HH2 TRP A 60 -2.081 1.772 -20.460 1.00 0.00 H new ATOM 869 N ALA A 61 -1.274 0.872 -14.148 1.00 0.00 N ATOM 870 CA ALA A 61 -0.934 2.288 -14.095 1.00 0.00 C ATOM 871 C ALA A 61 0.118 2.641 -15.140 1.00 0.00 C ATOM 872 O ALA A 61 1.173 2.011 -15.212 1.00 0.00 O ATOM 873 CB ALA A 61 -0.446 2.666 -12.704 1.00 0.00 C ATOM 0 H ALA A 61 -2.239 0.680 -14.418 1.00 0.00 H new ATOM 0 HA ALA A 61 -1.836 2.858 -14.318 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -0.196 3.727 -12.682 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -1.231 2.463 -11.975 1.00 0.00 H new ATOM 0 HB3 ALA A 61 0.439 2.080 -12.457 1.00 0.00 H new ATOM 879 N ASN A 62 -0.180 3.651 -15.948 1.00 0.00 N ATOM 880 CA ASN A 62 0.736 4.091 -16.993 1.00 0.00 C ATOM 881 C ASN A 62 1.348 5.445 -16.650 1.00 0.00 C ATOM 882 O ASN A 62 1.609 6.262 -17.534 1.00 0.00 O ATOM 883 CB ASN A 62 0.007 4.168 -18.333 1.00 0.00 C ATOM 884 CG ASN A 62 -1.244 5.021 -18.260 1.00 0.00 C ATOM 885 OD1 ASN A 62 -1.178 6.219 -17.986 1.00 0.00 O ATOM 886 ND2 ASN A 62 -2.395 4.402 -18.498 1.00 0.00 N ATOM 0 H ASN A 62 -1.050 4.181 -15.900 1.00 0.00 H new ATOM 0 HA ASN A 62 1.543 3.362 -17.067 1.00 0.00 H new ATOM 0 HB2 ASN A 62 0.680 4.577 -19.087 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -0.260 3.162 -18.657 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -3.272 4.922 -18.457 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -2.402 3.407 -18.722 1.00 0.00 H new ATOM 893 N TYR A 63 1.582 5.673 -15.362 1.00 0.00 N ATOM 894 CA TYR A 63 2.171 6.924 -14.902 1.00 0.00 C ATOM 895 C TYR A 63 3.684 6.787 -14.778 1.00 0.00 C ATOM 896 O TYR A 63 4.436 7.664 -15.204 1.00 0.00 O ATOM 897 CB TYR A 63 1.571 7.336 -13.556 1.00 0.00 C ATOM 898 CG TYR A 63 0.082 7.599 -13.606 1.00 0.00 C ATOM 899 CD1 TYR A 63 -0.812 6.592 -13.953 1.00 0.00 C ATOM 900 CD2 TYR A 63 -0.430 8.855 -13.307 1.00 0.00 C ATOM 901 CE1 TYR A 63 -2.172 6.831 -14.001 1.00 0.00 C ATOM 902 CE2 TYR A 63 -1.789 9.102 -13.352 1.00 0.00 C ATOM 903 CZ TYR A 63 -2.655 8.087 -13.699 1.00 0.00 C ATOM 904 OH TYR A 63 -4.009 8.328 -13.744 1.00 0.00 O ATOM 0 H TYR A 63 1.372 5.007 -14.618 1.00 0.00 H new ATOM 0 HA TYR A 63 1.947 7.697 -15.637 1.00 0.00 H new ATOM 0 HB2 TYR A 63 1.768 6.551 -12.826 1.00 0.00 H new ATOM 0 HB3 TYR A 63 2.077 8.234 -13.203 1.00 0.00 H new ATOM 0 HD1 TYR A 63 -0.437 5.607 -14.189 1.00 0.00 H new ATOM 0 HD2 TYR A 63 0.246 9.652 -13.035 1.00 0.00 H new ATOM 0 HE1 TYR A 63 -2.853 6.038 -14.274 1.00 0.00 H new ATOM 0 HE2 TYR A 63 -2.170 10.085 -13.117 1.00 0.00 H new ATOM 0 HH TYR A 63 -4.183 9.262 -13.503 1.00 0.00 H new ATOM 914 N SER A 64 4.122 5.676 -14.195 1.00 0.00 N ATOM 915 CA SER A 64 5.545 5.414 -14.015 1.00 0.00 C ATOM 916 C SER A 64 5.781 3.972 -13.573 1.00 0.00 C ATOM 917 O SER A 64 6.738 3.683 -12.856 1.00 0.00 O ATOM 918 CB SER A 64 6.137 6.378 -12.986 1.00 0.00 C ATOM 919 OG SER A 64 7.520 6.138 -12.797 1.00 0.00 O ATOM 0 H SER A 64 3.511 4.942 -13.839 1.00 0.00 H new ATOM 0 HA SER A 64 6.041 5.568 -14.973 1.00 0.00 H new ATOM 0 HB2 SER A 64 5.985 7.405 -13.317 1.00 0.00 H new ATOM 0 HB3 SER A 64 5.613 6.268 -12.037 1.00 0.00 H new ATOM 0 HG SER A 64 7.657 5.204 -12.535 1.00 0.00 H new ATOM 925 N ALA A 65 4.901 3.071 -14.005 1.00 0.00 N ATOM 926 CA ALA A 65 5.014 1.658 -13.654 1.00 0.00 C ATOM 927 C ALA A 65 5.194 1.470 -12.149 1.00 0.00 C ATOM 928 O ALA A 65 5.770 0.478 -11.704 1.00 0.00 O ATOM 929 CB ALA A 65 6.171 1.019 -14.408 1.00 0.00 C ATOM 0 H ALA A 65 4.102 3.295 -14.599 1.00 0.00 H new ATOM 0 HA ALA A 65 4.086 1.166 -13.943 1.00 0.00 H new ATOM 0 HB1 ALA A 65 6.244 -0.034 -14.137 1.00 0.00 H new ATOM 0 HB2 ALA A 65 5.999 1.107 -15.481 1.00 0.00 H new ATOM 0 HB3 ALA A 65 7.100 1.526 -14.147 1.00 0.00 H new ATOM 935 N GLU A 66 4.699 2.428 -11.371 1.00 0.00 N ATOM 936 CA GLU A 66 4.807 2.366 -9.917 1.00 0.00 C ATOM 937 C GLU A 66 4.100 1.136 -9.364 1.00 0.00 C ATOM 938 O GLU A 66 4.465 0.626 -8.304 1.00 0.00 O ATOM 939 CB GLU A 66 4.222 3.631 -9.287 1.00 0.00 C ATOM 940 CG GLU A 66 2.753 3.848 -9.612 1.00 0.00 C ATOM 941 CD GLU A 66 2.196 5.107 -8.976 1.00 0.00 C ATOM 942 OE1 GLU A 66 2.713 6.203 -9.279 1.00 0.00 O ATOM 943 OE2 GLU A 66 1.243 4.997 -8.177 1.00 0.00 O ATOM 0 H GLU A 66 4.219 3.256 -11.723 1.00 0.00 H new ATOM 0 HA GLU A 66 5.865 2.295 -9.663 1.00 0.00 H new ATOM 0 HB2 GLU A 66 4.342 3.577 -8.205 1.00 0.00 H new ATOM 0 HB3 GLU A 66 4.793 4.495 -9.629 1.00 0.00 H new ATOM 0 HG2 GLU A 66 2.628 3.906 -10.693 1.00 0.00 H new ATOM 0 HG3 GLU A 66 2.178 2.987 -9.270 1.00 0.00 H new ATOM 950 N GLN A 67 3.090 0.658 -10.083 1.00 0.00 N ATOM 951 CA GLN A 67 2.347 -0.515 -9.647 1.00 0.00 C ATOM 952 C GLN A 67 3.257 -1.722 -9.524 1.00 0.00 C ATOM 953 O GLN A 67 3.238 -2.420 -8.515 1.00 0.00 O ATOM 954 CB GLN A 67 1.209 -0.830 -10.605 1.00 0.00 C ATOM 955 CG GLN A 67 0.153 0.260 -10.683 1.00 0.00 C ATOM 956 CD GLN A 67 -0.504 0.530 -9.344 1.00 0.00 C ATOM 957 OE1 GLN A 67 -1.110 -0.359 -8.746 1.00 0.00 O ATOM 958 NE2 GLN A 67 -0.388 1.764 -8.866 1.00 0.00 N ATOM 0 H GLN A 67 2.770 1.062 -10.963 1.00 0.00 H new ATOM 0 HA GLN A 67 1.929 -0.287 -8.667 1.00 0.00 H new ATOM 0 HB2 GLN A 67 1.620 -0.996 -11.601 1.00 0.00 H new ATOM 0 HB3 GLN A 67 0.734 -1.761 -10.297 1.00 0.00 H new ATOM 0 HG2 GLN A 67 0.610 1.178 -11.051 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -0.610 -0.029 -11.406 1.00 0.00 H new ATOM 0 HE21 GLN A 67 0.124 2.470 -9.395 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -0.810 2.005 -7.970 1.00 0.00 H new ATOM 967 N ASN A 68 4.059 -1.966 -10.551 1.00 0.00 N ATOM 968 CA ASN A 68 4.978 -3.094 -10.532 1.00 0.00 C ATOM 969 C ASN A 68 5.883 -3.000 -9.322 1.00 0.00 C ATOM 970 O ASN A 68 6.163 -3.997 -8.651 1.00 0.00 O ATOM 971 CB ASN A 68 5.816 -3.124 -11.810 1.00 0.00 C ATOM 972 CG ASN A 68 4.990 -3.296 -13.080 1.00 0.00 C ATOM 973 OD1 ASN A 68 3.682 -3.506 -12.941 1.00 0.00 O flip ATOM 974 ND2 ASN A 68 5.532 -3.250 -14.184 1.00 0.00 N flip ATOM 0 H ASN A 68 4.092 -1.403 -11.401 1.00 0.00 H new ATOM 0 HA ASN A 68 4.398 -4.015 -10.476 1.00 0.00 H new ATOM 0 HB2 ASN A 68 6.387 -2.198 -11.881 1.00 0.00 H new ATOM 0 HB3 ASN A 68 6.537 -3.939 -11.743 1.00 0.00 H new ATOM 0 HD21 ASN A 68 6.537 -3.087 -14.253 1.00 0.00 H new ATOM 0 HD22 ASN A 68 4.977 -3.375 -15.030 1.00 0.00 H new ATOM 981 N ARG A 69 6.321 -1.786 -9.042 1.00 0.00 N ATOM 982 CA ARG A 69 7.181 -1.540 -7.907 1.00 0.00 C ATOM 983 C ARG A 69 6.499 -1.955 -6.615 1.00 0.00 C ATOM 984 O ARG A 69 7.110 -2.588 -5.754 1.00 0.00 O ATOM 985 CB ARG A 69 7.562 -0.065 -7.838 1.00 0.00 C ATOM 986 CG ARG A 69 8.750 0.304 -8.712 1.00 0.00 C ATOM 987 CD ARG A 69 8.479 0.002 -10.177 1.00 0.00 C ATOM 988 NE ARG A 69 9.622 0.334 -11.024 1.00 0.00 N ATOM 989 CZ ARG A 69 9.643 0.159 -12.344 1.00 0.00 C ATOM 990 NH1 ARG A 69 8.586 -0.343 -12.970 1.00 0.00 N ATOM 991 NH2 ARG A 69 10.723 0.488 -13.039 1.00 0.00 N ATOM 0 H ARG A 69 6.093 -0.956 -9.589 1.00 0.00 H new ATOM 0 HA ARG A 69 8.085 -2.136 -8.033 1.00 0.00 H new ATOM 0 HB2 ARG A 69 6.703 0.537 -8.136 1.00 0.00 H new ATOM 0 HB3 ARG A 69 7.789 0.194 -6.804 1.00 0.00 H new ATOM 0 HG2 ARG A 69 8.975 1.364 -8.593 1.00 0.00 H new ATOM 0 HG3 ARG A 69 9.631 -0.247 -8.383 1.00 0.00 H new ATOM 0 HD2 ARG A 69 8.238 -1.055 -10.291 1.00 0.00 H new ATOM 0 HD3 ARG A 69 7.607 0.565 -10.508 1.00 0.00 H new ATOM 0 HE ARG A 69 10.453 0.723 -10.578 1.00 0.00 H new ATOM 0 HH11 ARG A 69 7.752 -0.597 -12.440 1.00 0.00 H new ATOM 0 HH12 ARG A 69 8.607 -0.475 -13.981 1.00 0.00 H new ATOM 0 HH21 ARG A 69 11.538 0.875 -12.563 1.00 0.00 H new ATOM 0 HH22 ARG A 69 10.739 0.354 -14.050 1.00 0.00 H new ATOM 1005 N MET A 70 5.229 -1.597 -6.486 1.00 0.00 N ATOM 1006 CA MET A 70 4.475 -1.946 -5.286 1.00 0.00 C ATOM 1007 C MET A 70 4.088 -3.413 -5.299 1.00 0.00 C ATOM 1008 O MET A 70 3.952 -4.038 -4.247 1.00 0.00 O ATOM 1009 CB MET A 70 3.241 -1.060 -5.131 1.00 0.00 C ATOM 1010 CG MET A 70 2.328 -1.062 -6.342 1.00 0.00 C ATOM 1011 SD MET A 70 0.864 -0.035 -6.111 1.00 0.00 S ATOM 1012 CE MET A 70 1.615 1.565 -5.823 1.00 0.00 C ATOM 0 H MET A 70 4.703 -1.073 -7.185 1.00 0.00 H new ATOM 0 HA MET A 70 5.120 -1.772 -4.425 1.00 0.00 H new ATOM 0 HB2 MET A 70 2.675 -1.391 -4.261 1.00 0.00 H new ATOM 0 HB3 MET A 70 3.562 -0.038 -4.932 1.00 0.00 H new ATOM 0 HG2 MET A 70 2.883 -0.707 -7.211 1.00 0.00 H new ATOM 0 HG3 MET A 70 2.019 -2.085 -6.557 1.00 0.00 H new ATOM 0 HE1 MET A 70 0.883 2.350 -6.013 1.00 0.00 H new ATOM 0 HE2 MET A 70 1.953 1.627 -4.789 1.00 0.00 H new ATOM 0 HE3 MET A 70 2.466 1.693 -6.491 1.00 0.00 H new ATOM 1022 N GLY A 71 3.946 -3.971 -6.492 1.00 0.00 N ATOM 1023 CA GLY A 71 3.617 -5.371 -6.609 1.00 0.00 C ATOM 1024 C GLY A 71 4.686 -6.218 -5.962 1.00 0.00 C ATOM 1025 O GLY A 71 4.397 -7.117 -5.173 1.00 0.00 O ATOM 0 H GLY A 71 4.053 -3.478 -7.378 1.00 0.00 H new ATOM 0 HA2 GLY A 71 2.654 -5.566 -6.137 1.00 0.00 H new ATOM 0 HA3 GLY A 71 3.517 -5.641 -7.660 1.00 0.00 H new ATOM 1029 N GLN A 72 5.935 -5.892 -6.276 1.00 0.00 N ATOM 1030 CA GLN A 72 7.077 -6.584 -5.701 1.00 0.00 C ATOM 1031 C GLN A 72 7.257 -6.151 -4.255 1.00 0.00 C ATOM 1032 O GLN A 72 7.118 -6.947 -3.326 1.00 0.00 O ATOM 1033 CB GLN A 72 8.341 -6.259 -6.493 1.00 0.00 C ATOM 1034 CG GLN A 72 8.400 -6.929 -7.855 1.00 0.00 C ATOM 1035 CD GLN A 72 9.667 -6.593 -8.617 1.00 0.00 C ATOM 1036 OE1 GLN A 72 10.774 -6.870 -8.156 1.00 0.00 O ATOM 1037 NE2 GLN A 72 9.510 -5.992 -9.790 1.00 0.00 N ATOM 0 H GLN A 72 6.180 -5.148 -6.929 1.00 0.00 H new ATOM 0 HA GLN A 72 6.899 -7.659 -5.742 1.00 0.00 H new ATOM 0 HB2 GLN A 72 8.407 -5.179 -6.626 1.00 0.00 H new ATOM 0 HB3 GLN A 72 9.211 -6.562 -5.911 1.00 0.00 H new ATOM 0 HG2 GLN A 72 8.333 -8.009 -7.727 1.00 0.00 H new ATOM 0 HG3 GLN A 72 7.535 -6.624 -8.444 1.00 0.00 H new ATOM 0 HE21 GLN A 72 8.573 -5.781 -10.134 1.00 0.00 H new ATOM 0 HE22 GLN A 72 10.326 -5.741 -10.348 1.00 0.00 H new ATOM 1046 N ALA A 73 7.558 -4.868 -4.087 1.00 0.00 N ATOM 1047 CA ALA A 73 7.755 -4.270 -2.768 1.00 0.00 C ATOM 1048 C ALA A 73 6.737 -4.790 -1.755 1.00 0.00 C ATOM 1049 O ALA A 73 7.037 -4.919 -0.568 1.00 0.00 O ATOM 1050 CB ALA A 73 7.662 -2.752 -2.869 1.00 0.00 C ATOM 0 H ALA A 73 7.673 -4.212 -4.860 1.00 0.00 H new ATOM 0 HA ALA A 73 8.747 -4.553 -2.417 1.00 0.00 H new ATOM 0 HB1 ALA A 73 7.810 -2.312 -1.883 1.00 0.00 H new ATOM 0 HB2 ALA A 73 8.431 -2.385 -3.549 1.00 0.00 H new ATOM 0 HB3 ALA A 73 6.679 -2.472 -3.248 1.00 0.00 H new ATOM 1056 N GLY A 74 5.532 -5.085 -2.233 1.00 0.00 N ATOM 1057 CA GLY A 74 4.489 -5.584 -1.358 1.00 0.00 C ATOM 1058 C GLY A 74 4.436 -7.099 -1.322 1.00 0.00 C ATOM 1059 O GLY A 74 4.049 -7.689 -0.313 1.00 0.00 O ATOM 0 H GLY A 74 5.260 -4.987 -3.211 1.00 0.00 H new ATOM 0 HA2 GLY A 74 4.654 -5.205 -0.349 1.00 0.00 H new ATOM 0 HA3 GLY A 74 3.525 -5.198 -1.690 1.00 0.00 H new ATOM 1063 N SER A 75 4.825 -7.730 -2.425 1.00 0.00 N ATOM 1064 CA SER A 75 4.819 -9.186 -2.512 1.00 0.00 C ATOM 1065 C SER A 75 5.850 -9.791 -1.566 1.00 0.00 C ATOM 1066 O SER A 75 5.588 -10.802 -0.915 1.00 0.00 O ATOM 1067 CB SER A 75 5.101 -9.635 -3.947 1.00 0.00 C ATOM 1068 OG SER A 75 5.122 -11.049 -4.044 1.00 0.00 O ATOM 0 H SER A 75 5.148 -7.257 -3.269 1.00 0.00 H new ATOM 0 HA SER A 75 3.830 -9.538 -2.217 1.00 0.00 H new ATOM 0 HB2 SER A 75 4.338 -9.233 -4.614 1.00 0.00 H new ATOM 0 HB3 SER A 75 6.058 -9.230 -4.277 1.00 0.00 H new ATOM 0 HG SER A 75 5.303 -11.311 -4.971 1.00 0.00 H new ATOM 1074 N THR A 76 7.022 -9.165 -1.498 1.00 0.00 N ATOM 1075 CA THR A 76 8.105 -9.633 -0.633 1.00 0.00 C ATOM 1076 C THR A 76 8.685 -10.947 -1.140 1.00 0.00 C ATOM 1077 O THR A 76 9.862 -11.020 -1.490 1.00 0.00 O ATOM 1078 CB THR A 76 7.614 -9.795 0.809 1.00 0.00 C ATOM 1079 OG1 THR A 76 7.042 -8.588 1.281 1.00 0.00 O ATOM 1080 CG2 THR A 76 8.713 -10.185 1.773 1.00 0.00 C ATOM 0 H THR A 76 7.248 -8.327 -2.034 1.00 0.00 H new ATOM 0 HA THR A 76 8.894 -8.881 -0.653 1.00 0.00 H new ATOM 0 HB THR A 76 6.877 -10.597 0.776 1.00 0.00 H new ATOM 0 HG1 THR A 76 6.733 -8.711 2.203 1.00 0.00 H new ATOM 0 HG21 THR A 76 8.299 -10.283 2.776 1.00 0.00 H new ATOM 0 HG22 THR A 76 9.147 -11.136 1.465 1.00 0.00 H new ATOM 0 HG23 THR A 76 9.486 -9.417 1.773 1.00 0.00 H new ATOM 1088 N ILE A 77 7.846 -11.977 -1.175 1.00 0.00 N ATOM 1089 CA ILE A 77 8.243 -13.309 -1.639 1.00 0.00 C ATOM 1090 C ILE A 77 8.903 -14.125 -0.528 1.00 0.00 C ATOM 1091 O ILE A 77 9.139 -15.322 -0.687 1.00 0.00 O ATOM 1092 CB ILE A 77 9.201 -13.245 -2.849 1.00 0.00 C ATOM 1093 CG1 ILE A 77 8.606 -12.371 -3.953 1.00 0.00 C ATOM 1094 CG2 ILE A 77 9.482 -14.645 -3.376 1.00 0.00 C ATOM 1095 CD1 ILE A 77 9.521 -12.210 -5.146 1.00 0.00 C ATOM 0 H ILE A 77 6.871 -11.916 -0.883 1.00 0.00 H new ATOM 0 HA ILE A 77 7.320 -13.801 -1.946 1.00 0.00 H new ATOM 0 HB ILE A 77 10.142 -12.801 -2.524 1.00 0.00 H new ATOM 0 HG12 ILE A 77 7.663 -12.807 -4.283 1.00 0.00 H new ATOM 0 HG13 ILE A 77 8.377 -11.387 -3.544 1.00 0.00 H new ATOM 0 HG21 ILE A 77 10.158 -14.584 -4.229 1.00 0.00 H new ATOM 0 HG22 ILE A 77 9.942 -15.244 -2.590 1.00 0.00 H new ATOM 0 HG23 ILE A 77 8.547 -15.111 -3.687 1.00 0.00 H new ATOM 0 HD11 ILE A 77 9.038 -11.579 -5.892 1.00 0.00 H new ATOM 0 HD12 ILE A 77 10.455 -11.747 -4.828 1.00 0.00 H new ATOM 0 HD13 ILE A 77 9.730 -13.188 -5.579 1.00 0.00 H new ATOM 1107 N SER A 78 9.198 -13.478 0.596 1.00 0.00 N ATOM 1108 CA SER A 78 9.828 -14.157 1.722 1.00 0.00 C ATOM 1109 C SER A 78 8.845 -14.317 2.878 1.00 0.00 C ATOM 1110 O SER A 78 8.980 -15.223 3.701 1.00 0.00 O ATOM 1111 CB SER A 78 11.060 -13.380 2.189 1.00 0.00 C ATOM 1112 OG SER A 78 11.684 -14.024 3.287 1.00 0.00 O ATOM 0 H SER A 78 9.011 -12.487 0.750 1.00 0.00 H new ATOM 0 HA SER A 78 10.137 -15.148 1.390 1.00 0.00 H new ATOM 0 HB2 SER A 78 11.769 -13.288 1.366 1.00 0.00 H new ATOM 0 HB3 SER A 78 10.770 -12.369 2.474 1.00 0.00 H new ATOM 0 HG SER A 78 12.469 -13.508 3.565 1.00 0.00 H new ATOM 1118 N ASN A 79 7.858 -13.428 2.935 1.00 0.00 N ATOM 1119 CA ASN A 79 6.854 -13.466 3.992 1.00 0.00 C ATOM 1120 C ASN A 79 5.457 -13.195 3.437 1.00 0.00 C ATOM 1121 O ASN A 79 4.476 -13.767 3.909 1.00 0.00 O ATOM 1122 CB ASN A 79 7.195 -12.441 5.074 1.00 0.00 C ATOM 1123 CG ASN A 79 6.194 -12.444 6.214 1.00 0.00 C ATOM 1124 OD1 ASN A 79 5.005 -12.198 6.012 1.00 0.00 O ATOM 1125 ND2 ASN A 79 6.672 -12.724 7.420 1.00 0.00 N ATOM 0 H ASN A 79 7.732 -12.673 2.261 1.00 0.00 H new ATOM 0 HA ASN A 79 6.858 -14.465 4.427 1.00 0.00 H new ATOM 0 HB2 ASN A 79 8.190 -12.650 5.468 1.00 0.00 H new ATOM 0 HB3 ASN A 79 7.231 -11.447 4.629 1.00 0.00 H new ATOM 0 HD21 ASN A 79 6.046 -12.741 8.225 1.00 0.00 H new ATOM 0 HD22 ASN A 79 7.665 -12.922 7.542 1.00 0.00 H new ATOM 1132 N SER A 80 5.379 -12.311 2.443 1.00 0.00 N ATOM 1133 CA SER A 80 4.110 -11.943 1.818 1.00 0.00 C ATOM 1134 C SER A 80 3.236 -11.176 2.800 1.00 0.00 C ATOM 1135 O SER A 80 2.081 -11.530 3.037 1.00 0.00 O ATOM 1136 CB SER A 80 3.367 -13.179 1.295 1.00 0.00 C ATOM 1137 OG SER A 80 2.862 -13.972 2.354 1.00 0.00 O ATOM 0 H SER A 80 6.189 -11.832 2.050 1.00 0.00 H new ATOM 0 HA SER A 80 4.331 -11.299 0.967 1.00 0.00 H new ATOM 0 HB2 SER A 80 2.545 -12.865 0.652 1.00 0.00 H new ATOM 0 HB3 SER A 80 4.041 -13.777 0.682 1.00 0.00 H new ATOM 0 HG SER A 80 3.230 -13.654 3.205 1.00 0.00 H new ATOM 1143 N HIS A 81 3.806 -10.122 3.371 1.00 0.00 N ATOM 1144 CA HIS A 81 3.099 -9.292 4.334 1.00 0.00 C ATOM 1145 C HIS A 81 2.755 -7.925 3.724 1.00 0.00 C ATOM 1146 O HIS A 81 2.244 -7.861 2.606 1.00 0.00 O ATOM 1147 CB HIS A 81 3.940 -9.152 5.609 1.00 0.00 C ATOM 1148 CG HIS A 81 5.329 -8.629 5.381 1.00 0.00 C ATOM 1149 ND1 HIS A 81 5.602 -7.455 4.709 1.00 0.00 N ATOM 1150 CD2 HIS A 81 6.531 -9.118 5.772 1.00 0.00 C ATOM 1151 CE1 HIS A 81 6.900 -7.244 4.700 1.00 0.00 C ATOM 1152 NE2 HIS A 81 7.490 -8.237 5.337 1.00 0.00 N ATOM 0 H HIS A 81 4.762 -9.822 3.181 1.00 0.00 H new ATOM 0 HA HIS A 81 2.156 -9.770 4.599 1.00 0.00 H new ATOM 0 HB2 HIS A 81 3.423 -8.486 6.300 1.00 0.00 H new ATOM 0 HB3 HIS A 81 4.006 -10.126 6.095 1.00 0.00 H new ATOM 0 HD2 HIS A 81 6.703 -10.031 6.323 1.00 0.00 H new ATOM 0 HE1 HIS A 81 7.399 -6.400 4.247 1.00 0.00 H new ATOM 0 HE2 HIS A 81 8.495 -8.334 5.483 1.00 0.00 H new ATOM 1161 N ALA A 82 3.021 -6.841 4.460 1.00 0.00 N ATOM 1162 CA ALA A 82 2.728 -5.487 3.995 1.00 0.00 C ATOM 1163 C ALA A 82 1.309 -5.116 4.370 1.00 0.00 C ATOM 1164 O ALA A 82 0.521 -4.662 3.541 1.00 0.00 O ATOM 1165 CB ALA A 82 2.951 -5.345 2.493 1.00 0.00 C ATOM 0 H ALA A 82 3.443 -6.879 5.388 1.00 0.00 H new ATOM 0 HA ALA A 82 3.418 -4.800 4.484 1.00 0.00 H new ATOM 0 HB1 ALA A 82 2.722 -4.324 2.186 1.00 0.00 H new ATOM 0 HB2 ALA A 82 3.991 -5.571 2.257 1.00 0.00 H new ATOM 0 HB3 ALA A 82 2.299 -6.038 1.961 1.00 0.00 H new ATOM 1171 N GLN A 83 0.995 -5.342 5.635 1.00 0.00 N ATOM 1172 CA GLN A 83 -0.335 -5.066 6.156 1.00 0.00 C ATOM 1173 C GLN A 83 -0.355 -3.797 7.011 1.00 0.00 C ATOM 1174 O GLN A 83 -1.195 -2.921 6.802 1.00 0.00 O ATOM 1175 CB GLN A 83 -0.824 -6.269 6.963 1.00 0.00 C ATOM 1176 CG GLN A 83 -0.649 -7.590 6.229 1.00 0.00 C ATOM 1177 CD GLN A 83 -1.562 -7.753 5.018 1.00 0.00 C ATOM 1178 OE1 GLN A 83 -2.473 -6.806 4.799 1.00 0.00 O flip ATOM 1179 NE2 GLN A 83 -1.453 -8.737 4.287 1.00 0.00 N flip ATOM 0 H GLN A 83 1.647 -5.718 6.324 1.00 0.00 H new ATOM 0 HA GLN A 83 -1.007 -4.896 5.314 1.00 0.00 H new ATOM 0 HB2 GLN A 83 -0.282 -6.310 7.908 1.00 0.00 H new ATOM 0 HB3 GLN A 83 -1.878 -6.132 7.206 1.00 0.00 H new ATOM 0 HG2 GLN A 83 0.388 -7.679 5.904 1.00 0.00 H new ATOM 0 HG3 GLN A 83 -0.836 -8.408 6.925 1.00 0.00 H new ATOM 0 HE21 GLN A 83 -0.744 -9.443 4.485 1.00 0.00 H new ATOM 0 HE22 GLN A 83 -2.072 -8.847 3.484 1.00 0.00 H new ATOM 1188 N PRO A 84 0.566 -3.668 7.987 1.00 0.00 N ATOM 1189 CA PRO A 84 0.633 -2.499 8.854 1.00 0.00 C ATOM 1190 C PRO A 84 1.568 -1.420 8.311 1.00 0.00 C ATOM 1191 O PRO A 84 1.856 -0.443 8.999 1.00 0.00 O ATOM 1192 CB PRO A 84 1.192 -3.090 10.142 1.00 0.00 C ATOM 1193 CG PRO A 84 2.105 -4.186 9.692 1.00 0.00 C ATOM 1194 CD PRO A 84 1.618 -4.642 8.332 1.00 0.00 C ATOM 0 HA PRO A 84 -0.330 -2.000 8.962 1.00 0.00 H new ATOM 0 HB2 PRO A 84 1.730 -2.339 10.721 1.00 0.00 H new ATOM 0 HB3 PRO A 84 0.396 -3.475 10.779 1.00 0.00 H new ATOM 0 HG2 PRO A 84 3.134 -3.830 9.633 1.00 0.00 H new ATOM 0 HG3 PRO A 84 2.093 -5.013 10.402 1.00 0.00 H new ATOM 0 HD2 PRO A 84 2.423 -4.637 7.597 1.00 0.00 H new ATOM 0 HD3 PRO A 84 1.225 -5.658 8.368 1.00 0.00 H new ATOM 1202 N PHE A 85 2.043 -1.618 7.076 1.00 0.00 N ATOM 1203 CA PHE A 85 2.958 -0.684 6.412 1.00 0.00 C ATOM 1204 C PHE A 85 4.409 -1.004 6.756 1.00 0.00 C ATOM 1205 O PHE A 85 5.324 -0.658 6.008 1.00 0.00 O ATOM 1206 CB PHE A 85 2.650 0.773 6.783 1.00 0.00 C ATOM 1207 CG PHE A 85 1.233 1.204 6.498 1.00 0.00 C ATOM 1208 CD1 PHE A 85 0.340 0.361 5.847 1.00 0.00 C ATOM 1209 CD2 PHE A 85 0.796 2.463 6.880 1.00 0.00 C ATOM 1210 CE1 PHE A 85 -0.955 0.767 5.588 1.00 0.00 C ATOM 1211 CE2 PHE A 85 -0.498 2.872 6.623 1.00 0.00 C ATOM 1212 CZ PHE A 85 -1.375 2.023 5.977 1.00 0.00 C ATOM 0 H PHE A 85 1.803 -2.431 6.509 1.00 0.00 H new ATOM 0 HA PHE A 85 2.810 -0.804 5.339 1.00 0.00 H new ATOM 0 HB2 PHE A 85 2.853 0.915 7.844 1.00 0.00 H new ATOM 0 HB3 PHE A 85 3.332 1.426 6.238 1.00 0.00 H new ATOM 0 HD1 PHE A 85 0.662 -0.623 5.540 1.00 0.00 H new ATOM 0 HD2 PHE A 85 1.476 3.133 7.385 1.00 0.00 H new ATOM 0 HE1 PHE A 85 -1.638 0.102 5.081 1.00 0.00 H new ATOM 0 HE2 PHE A 85 -0.824 3.856 6.927 1.00 0.00 H new ATOM 0 HZ PHE A 85 -2.387 2.341 5.777 1.00 0.00 H new ATOM 1222 N ASP A 86 4.617 -1.662 7.892 1.00 0.00 N ATOM 1223 CA ASP A 86 5.957 -2.020 8.332 1.00 0.00 C ATOM 1224 C ASP A 86 6.805 -0.769 8.556 1.00 0.00 C ATOM 1225 O ASP A 86 8.034 -0.836 8.594 1.00 0.00 O ATOM 1226 CB ASP A 86 6.622 -2.943 7.308 1.00 0.00 C ATOM 1227 CG ASP A 86 8.009 -3.385 7.734 1.00 0.00 C ATOM 1228 OD1 ASP A 86 8.127 -4.024 8.801 1.00 0.00 O ATOM 1229 OD2 ASP A 86 8.977 -3.092 7.001 1.00 0.00 O ATOM 0 H ASP A 86 3.873 -1.958 8.524 1.00 0.00 H new ATOM 0 HA ASP A 86 5.878 -2.551 9.281 1.00 0.00 H new ATOM 0 HB2 ASP A 86 5.995 -3.822 7.156 1.00 0.00 H new ATOM 0 HB3 ASP A 86 6.687 -2.428 6.349 1.00 0.00 H new ATOM 1234 N PHE A 87 6.139 0.371 8.712 1.00 0.00 N ATOM 1235 CA PHE A 87 6.829 1.636 8.940 1.00 0.00 C ATOM 1236 C PHE A 87 7.332 1.742 10.382 1.00 0.00 C ATOM 1237 O PHE A 87 8.464 2.164 10.617 1.00 0.00 O ATOM 1238 CB PHE A 87 5.907 2.817 8.619 1.00 0.00 C ATOM 1239 CG PHE A 87 5.483 2.899 7.174 1.00 0.00 C ATOM 1240 CD1 PHE A 87 5.944 1.984 6.236 1.00 0.00 C ATOM 1241 CD2 PHE A 87 4.621 3.900 6.755 1.00 0.00 C ATOM 1242 CE1 PHE A 87 5.552 2.068 4.914 1.00 0.00 C ATOM 1243 CE2 PHE A 87 4.227 3.989 5.433 1.00 0.00 C ATOM 1244 CZ PHE A 87 4.693 3.072 4.512 1.00 0.00 C ATOM 0 H PHE A 87 5.122 0.445 8.685 1.00 0.00 H new ATOM 0 HA PHE A 87 7.691 1.667 8.274 1.00 0.00 H new ATOM 0 HB2 PHE A 87 5.016 2.747 9.243 1.00 0.00 H new ATOM 0 HB3 PHE A 87 6.414 3.743 8.890 1.00 0.00 H new ATOM 0 HD1 PHE A 87 6.617 1.197 6.544 1.00 0.00 H new ATOM 0 HD2 PHE A 87 4.252 4.620 7.471 1.00 0.00 H new ATOM 0 HE1 PHE A 87 5.917 1.349 4.195 1.00 0.00 H new ATOM 0 HE2 PHE A 87 3.555 4.775 5.121 1.00 0.00 H new ATOM 0 HZ PHE A 87 4.386 3.140 3.479 1.00 0.00 H new ATOM 1254 N PRO A 88 6.500 1.363 11.374 1.00 0.00 N ATOM 1255 CA PRO A 88 6.881 1.426 12.788 1.00 0.00 C ATOM 1256 C PRO A 88 8.272 0.854 13.045 1.00 0.00 C ATOM 1257 O PRO A 88 8.510 -0.336 12.841 1.00 0.00 O ATOM 1258 CB PRO A 88 5.816 0.572 13.474 1.00 0.00 C ATOM 1259 CG PRO A 88 4.614 0.717 12.610 1.00 0.00 C ATOM 1260 CD PRO A 88 5.127 0.847 11.201 1.00 0.00 C ATOM 0 HA PRO A 88 6.929 2.452 13.153 1.00 0.00 H new ATOM 0 HB2 PRO A 88 6.129 -0.469 13.548 1.00 0.00 H new ATOM 0 HB3 PRO A 88 5.621 0.919 14.489 1.00 0.00 H new ATOM 0 HG2 PRO A 88 3.957 -0.147 12.708 1.00 0.00 H new ATOM 0 HG3 PRO A 88 4.032 1.593 12.895 1.00 0.00 H new ATOM 0 HD2 PRO A 88 5.122 -0.112 10.683 1.00 0.00 H new ATOM 0 HD3 PRO A 88 4.514 1.530 10.613 1.00 0.00 H new ATOM 1268 N ASP A 89 9.187 1.710 13.492 1.00 0.00 N ATOM 1269 CA ASP A 89 10.557 1.294 13.778 1.00 0.00 C ATOM 1270 C ASP A 89 11.278 0.875 12.501 1.00 0.00 C ATOM 1271 O ASP A 89 12.085 -0.054 12.507 1.00 0.00 O ATOM 1272 CB ASP A 89 10.570 0.145 14.789 1.00 0.00 C ATOM 1273 CG ASP A 89 9.911 0.523 16.102 1.00 0.00 C ATOM 1274 OD1 ASP A 89 10.387 1.478 16.752 1.00 0.00 O ATOM 1275 OD2 ASP A 89 8.919 -0.135 16.479 1.00 0.00 O ATOM 0 H ASP A 89 9.004 2.698 13.664 1.00 0.00 H new ATOM 0 HA ASP A 89 11.083 2.147 14.207 1.00 0.00 H new ATOM 0 HB2 ASP A 89 10.056 -0.717 14.362 1.00 0.00 H new ATOM 0 HB3 ASP A 89 11.600 -0.159 14.977 1.00 0.00 H new ATOM 1280 N ASP A 90 10.982 1.571 11.408 1.00 0.00 N ATOM 1281 CA ASP A 90 11.603 1.279 10.121 1.00 0.00 C ATOM 1282 C ASP A 90 11.758 2.555 9.301 1.00 0.00 C ATOM 1283 O ASP A 90 10.775 3.228 8.990 1.00 0.00 O ATOM 1284 CB ASP A 90 10.768 0.259 9.345 1.00 0.00 C ATOM 1285 CG ASP A 90 11.400 -0.118 8.018 1.00 0.00 C ATOM 1286 OD1 ASP A 90 11.594 0.784 7.177 1.00 0.00 O ATOM 1287 OD2 ASP A 90 11.700 -1.314 7.822 1.00 0.00 O ATOM 0 H ASP A 90 10.315 2.342 11.388 1.00 0.00 H new ATOM 0 HA ASP A 90 12.591 0.858 10.306 1.00 0.00 H new ATOM 0 HB2 ASP A 90 10.640 -0.638 9.951 1.00 0.00 H new ATOM 0 HB3 ASP A 90 9.773 0.668 9.167 1.00 0.00 H new ATOM 1292 N ASN A 91 12.999 2.888 8.961 1.00 0.00 N ATOM 1293 CA ASN A 91 13.282 4.091 8.185 1.00 0.00 C ATOM 1294 C ASN A 91 14.788 4.218 7.900 1.00 0.00 C ATOM 1295 O ASN A 91 15.379 3.324 7.290 1.00 0.00 O ATOM 1296 CB ASN A 91 12.735 5.320 8.924 1.00 0.00 C ATOM 1297 CG ASN A 91 13.193 5.376 10.370 1.00 0.00 C ATOM 1298 OD1 ASN A 91 12.981 4.437 11.137 1.00 0.00 O ATOM 1299 ND2 ASN A 91 13.816 6.485 10.752 1.00 0.00 N ATOM 0 H ASN A 91 13.824 2.343 9.210 1.00 0.00 H new ATOM 0 HA ASN A 91 12.782 4.022 7.219 1.00 0.00 H new ATOM 0 HB2 ASN A 91 13.058 6.224 8.408 1.00 0.00 H new ATOM 0 HB3 ASN A 91 11.646 5.306 8.891 1.00 0.00 H new ATOM 0 HD21 ASN A 91 14.140 6.583 11.714 1.00 0.00 H new ATOM 0 HD22 ASN A 91 13.971 7.239 10.083 1.00 0.00 H new ATOM 1306 N GLN A 92 15.413 5.319 8.330 1.00 0.00 N ATOM 1307 CA GLN A 92 16.840 5.523 8.099 1.00 0.00 C ATOM 1308 C GLN A 92 17.646 4.292 8.509 1.00 0.00 C ATOM 1309 O GLN A 92 18.672 3.971 7.903 1.00 0.00 O ATOM 1310 CB GLN A 92 17.338 6.750 8.867 1.00 0.00 C ATOM 1311 CG GLN A 92 17.036 6.706 10.356 1.00 0.00 C ATOM 1312 CD GLN A 92 17.659 7.863 11.113 1.00 0.00 C ATOM 1313 OE1 GLN A 92 17.371 9.027 10.837 1.00 0.00 O ATOM 1314 NE2 GLN A 92 18.519 7.546 12.074 1.00 0.00 N ATOM 0 H GLN A 92 14.954 6.076 8.836 1.00 0.00 H new ATOM 0 HA GLN A 92 16.983 5.689 7.031 1.00 0.00 H new ATOM 0 HB2 GLN A 92 18.415 6.842 8.727 1.00 0.00 H new ATOM 0 HB3 GLN A 92 16.883 7.644 8.440 1.00 0.00 H new ATOM 0 HG2 GLN A 92 15.956 6.719 10.504 1.00 0.00 H new ATOM 0 HG3 GLN A 92 17.403 5.767 10.770 1.00 0.00 H new ATOM 0 HE21 GLN A 92 18.728 6.567 12.269 1.00 0.00 H new ATOM 0 HE22 GLN A 92 18.970 8.282 12.618 1.00 0.00 H new ATOM 1323 N ASN A 93 17.173 3.608 9.543 1.00 0.00 N ATOM 1324 CA ASN A 93 17.843 2.414 10.041 1.00 0.00 C ATOM 1325 C ASN A 93 17.737 1.267 9.041 1.00 0.00 C ATOM 1326 O ASN A 93 18.584 0.374 9.016 1.00 0.00 O ATOM 1327 CB ASN A 93 17.240 1.994 11.381 1.00 0.00 C ATOM 1328 CG ASN A 93 17.319 3.090 12.419 1.00 0.00 C ATOM 1329 OD1 ASN A 93 18.401 3.584 12.737 1.00 0.00 O ATOM 1330 ND2 ASN A 93 16.171 3.471 12.958 1.00 0.00 N ATOM 0 H ASN A 93 16.327 3.860 10.054 1.00 0.00 H new ATOM 0 HA ASN A 93 18.898 2.651 10.179 1.00 0.00 H new ATOM 0 HB2 ASN A 93 16.198 1.711 11.234 1.00 0.00 H new ATOM 0 HB3 ASN A 93 17.761 1.110 11.750 1.00 0.00 H new ATOM 0 HD21 ASN A 93 16.159 4.203 13.668 1.00 0.00 H new ATOM 0 HD22 ASN A 93 15.299 3.033 12.663 1.00 0.00 H new ATOM 1337 N ALA A 94 16.691 1.294 8.222 1.00 0.00 N ATOM 1338 CA ALA A 94 16.476 0.254 7.226 1.00 0.00 C ATOM 1339 C ALA A 94 17.227 0.557 5.933 1.00 0.00 C ATOM 1340 O ALA A 94 17.636 -0.357 5.216 1.00 0.00 O ATOM 1341 CB ALA A 94 14.990 0.091 6.948 1.00 0.00 C ATOM 0 H ALA A 94 15.980 2.025 8.229 1.00 0.00 H new ATOM 0 HA ALA A 94 16.867 -0.681 7.628 1.00 0.00 H new ATOM 0 HB1 ALA A 94 14.843 -0.690 6.202 1.00 0.00 H new ATOM 0 HB2 ALA A 94 14.476 -0.186 7.868 1.00 0.00 H new ATOM 0 HB3 ALA A 94 14.584 1.031 6.574 1.00 0.00 H new ATOM 1347 N LYS A 95 17.400 1.841 5.634 1.00 0.00 N ATOM 1348 CA LYS A 95 18.097 2.247 4.417 1.00 0.00 C ATOM 1349 C LYS A 95 19.605 2.070 4.553 1.00 0.00 C ATOM 1350 O LYS A 95 20.265 1.589 3.632 1.00 0.00 O ATOM 1351 CB LYS A 95 17.793 3.706 4.077 1.00 0.00 C ATOM 1352 CG LYS A 95 18.333 4.685 5.103 1.00 0.00 C ATOM 1353 CD LYS A 95 18.170 6.127 4.653 1.00 0.00 C ATOM 1354 CE LYS A 95 18.782 7.093 5.657 1.00 0.00 C ATOM 1355 NZ LYS A 95 18.775 8.495 5.156 1.00 0.00 N ATOM 0 H LYS A 95 17.070 2.614 6.213 1.00 0.00 H new ATOM 0 HA LYS A 95 17.738 1.604 3.613 1.00 0.00 H new ATOM 0 HB2 LYS A 95 18.218 3.941 3.101 1.00 0.00 H new ATOM 0 HB3 LYS A 95 16.714 3.835 3.994 1.00 0.00 H new ATOM 0 HG2 LYS A 95 17.815 4.540 6.051 1.00 0.00 H new ATOM 0 HG3 LYS A 95 19.388 4.478 5.282 1.00 0.00 H new ATOM 0 HD2 LYS A 95 18.643 6.262 3.680 1.00 0.00 H new ATOM 0 HD3 LYS A 95 17.111 6.353 4.527 1.00 0.00 H new ATOM 0 HE2 LYS A 95 18.229 7.040 6.595 1.00 0.00 H new ATOM 0 HE3 LYS A 95 19.806 6.790 5.874 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 19.200 9.121 5.870 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 19.324 8.551 4.275 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 17.796 8.794 4.973 1.00 0.00 H new ATOM 1369 N LYS A 96 20.152 2.471 5.698 1.00 0.00 N ATOM 1370 CA LYS A 96 21.589 2.359 5.925 1.00 0.00 C ATOM 1371 C LYS A 96 22.037 0.899 5.925 1.00 0.00 C ATOM 1372 O LYS A 96 23.233 0.609 5.899 1.00 0.00 O ATOM 1373 CB LYS A 96 21.986 3.038 7.237 1.00 0.00 C ATOM 1374 CG LYS A 96 21.472 2.336 8.482 1.00 0.00 C ATOM 1375 CD LYS A 96 21.849 3.108 9.736 1.00 0.00 C ATOM 1376 CE LYS A 96 21.505 2.332 10.999 1.00 0.00 C ATOM 1377 NZ LYS A 96 22.236 1.037 11.071 1.00 0.00 N ATOM 0 H LYS A 96 19.628 2.872 6.475 1.00 0.00 H new ATOM 0 HA LYS A 96 22.094 2.868 5.104 1.00 0.00 H new ATOM 0 HB2 LYS A 96 23.073 3.096 7.289 1.00 0.00 H new ATOM 0 HB3 LYS A 96 21.613 4.062 7.231 1.00 0.00 H new ATOM 0 HG2 LYS A 96 20.388 2.234 8.425 1.00 0.00 H new ATOM 0 HG3 LYS A 96 21.885 1.329 8.533 1.00 0.00 H new ATOM 0 HD2 LYS A 96 22.917 3.326 9.722 1.00 0.00 H new ATOM 0 HD3 LYS A 96 21.329 4.066 9.744 1.00 0.00 H new ATOM 0 HE2 LYS A 96 21.748 2.935 11.873 1.00 0.00 H new ATOM 0 HE3 LYS A 96 20.432 2.145 11.029 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 22.223 0.685 12.050 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 21.776 0.343 10.447 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 23.221 1.177 10.766 1.00 0.00 H new ATOM 1391 N VAL A 97 21.073 -0.018 5.943 1.00 0.00 N ATOM 1392 CA VAL A 97 21.376 -1.442 5.931 1.00 0.00 C ATOM 1393 C VAL A 97 20.988 -2.058 4.592 1.00 0.00 C ATOM 1394 O VAL A 97 21.791 -2.733 3.949 1.00 0.00 O ATOM 1395 CB VAL A 97 20.640 -2.185 7.064 1.00 0.00 C ATOM 1396 CG1 VAL A 97 21.014 -3.660 7.074 1.00 0.00 C ATOM 1397 CG2 VAL A 97 20.943 -1.542 8.409 1.00 0.00 C ATOM 0 H VAL A 97 20.077 0.202 5.966 1.00 0.00 H new ATOM 0 HA VAL A 97 22.450 -1.547 6.086 1.00 0.00 H new ATOM 0 HB VAL A 97 19.568 -2.110 6.883 1.00 0.00 H new ATOM 0 HG11 VAL A 97 20.483 -4.164 7.881 1.00 0.00 H new ATOM 0 HG12 VAL A 97 20.739 -4.112 6.121 1.00 0.00 H new ATOM 0 HG13 VAL A 97 22.088 -3.762 7.227 1.00 0.00 H new ATOM 0 HG21 VAL A 97 20.415 -2.080 9.197 1.00 0.00 H new ATOM 0 HG22 VAL A 97 22.016 -1.583 8.598 1.00 0.00 H new ATOM 0 HG23 VAL A 97 20.616 -0.502 8.397 1.00 0.00 H new ATOM 1407 N ALA A 98 19.751 -1.811 4.175 1.00 0.00 N ATOM 1408 CA ALA A 98 19.244 -2.331 2.910 1.00 0.00 C ATOM 1409 C ALA A 98 20.183 -1.989 1.756 1.00 0.00 C ATOM 1410 O ALA A 98 20.427 -2.815 0.876 1.00 0.00 O ATOM 1411 CB ALA A 98 17.851 -1.787 2.636 1.00 0.00 C ATOM 0 H ALA A 98 19.078 -1.251 4.698 1.00 0.00 H new ATOM 0 HA ALA A 98 19.190 -3.417 2.990 1.00 0.00 H new ATOM 0 HB1 ALA A 98 17.485 -2.183 1.689 1.00 0.00 H new ATOM 0 HB2 ALA A 98 17.178 -2.088 3.439 1.00 0.00 H new ATOM 0 HB3 ALA A 98 17.889 -0.699 2.583 1.00 0.00 H new ATOM 1417 N ALA A 99 20.707 -0.769 1.768 1.00 0.00 N ATOM 1418 CA ALA A 99 21.618 -0.322 0.728 1.00 0.00 C ATOM 1419 C ALA A 99 23.062 -0.654 1.087 1.00 0.00 C ATOM 1420 O ALA A 99 23.907 0.236 1.201 1.00 0.00 O ATOM 1421 CB ALA A 99 21.456 1.173 0.490 1.00 0.00 C ATOM 0 H ALA A 99 20.515 -0.073 2.488 1.00 0.00 H new ATOM 0 HA ALA A 99 21.370 -0.851 -0.192 1.00 0.00 H new ATOM 0 HB1 ALA A 99 22.145 1.494 -0.292 1.00 0.00 H new ATOM 0 HB2 ALA A 99 20.432 1.383 0.180 1.00 0.00 H new ATOM 0 HB3 ALA A 99 21.675 1.714 1.411 1.00 0.00 H new ATOM 1427 N GLY A 100 23.339 -1.941 1.267 1.00 0.00 N ATOM 1428 CA GLY A 100 24.682 -2.370 1.614 1.00 0.00 C ATOM 1429 C GLY A 100 24.713 -3.762 2.218 1.00 0.00 C ATOM 1430 O GLY A 100 25.733 -4.449 2.157 1.00 0.00 O ATOM 0 H GLY A 100 22.658 -2.695 1.179 1.00 0.00 H new ATOM 0 HA2 GLY A 100 25.307 -2.351 0.721 1.00 0.00 H new ATOM 0 HA3 GLY A 100 25.114 -1.662 2.321 1.00 0.00 H new ATOM 1434 N HIS A 101 23.594 -4.178 2.805 1.00 0.00 N ATOM 1435 CA HIS A 101 23.498 -5.496 3.425 1.00 0.00 C ATOM 1436 C HIS A 101 23.631 -6.607 2.384 1.00 0.00 C ATOM 1437 O HIS A 101 23.828 -7.773 2.724 1.00 0.00 O ATOM 1438 CB HIS A 101 22.167 -5.633 4.175 1.00 0.00 C ATOM 1439 CG HIS A 101 20.983 -5.834 3.277 1.00 0.00 C ATOM 1440 ND1 HIS A 101 20.683 -4.997 2.223 1.00 0.00 N ATOM 1441 CD2 HIS A 101 20.020 -6.787 3.282 1.00 0.00 C ATOM 1442 CE1 HIS A 101 19.588 -5.425 1.620 1.00 0.00 C ATOM 1443 NE2 HIS A 101 19.167 -6.510 2.243 1.00 0.00 N ATOM 0 H HIS A 101 22.741 -3.621 2.864 1.00 0.00 H new ATOM 0 HA HIS A 101 24.320 -5.596 4.134 1.00 0.00 H new ATOM 0 HB2 HIS A 101 22.235 -6.474 4.865 1.00 0.00 H new ATOM 0 HB3 HIS A 101 22.007 -4.739 4.777 1.00 0.00 H new ATOM 0 HD1 HIS A 101 21.223 -4.175 1.951 1.00 0.00 H new ATOM 0 HD2 HIS A 101 19.939 -7.611 3.975 1.00 0.00 H new ATOM 0 HE1 HIS A 101 19.118 -4.965 0.763 1.00 0.00 H new ATOM 1452 N GLU A 102 23.515 -6.232 1.117 1.00 0.00 N ATOM 1453 CA GLU A 102 23.614 -7.185 0.017 1.00 0.00 C ATOM 1454 C GLU A 102 25.043 -7.697 -0.152 1.00 0.00 C ATOM 1455 O GLU A 102 25.269 -8.710 -0.813 1.00 0.00 O ATOM 1456 CB GLU A 102 23.139 -6.536 -1.284 1.00 0.00 C ATOM 1457 CG GLU A 102 21.725 -5.982 -1.207 1.00 0.00 C ATOM 1458 CD GLU A 102 21.274 -5.353 -2.511 1.00 0.00 C ATOM 1459 OE1 GLU A 102 21.239 -6.068 -3.534 1.00 0.00 O ATOM 1460 OE2 GLU A 102 20.955 -4.146 -2.508 1.00 0.00 O ATOM 0 H GLU A 102 23.351 -5.269 0.823 1.00 0.00 H new ATOM 0 HA GLU A 102 22.975 -8.036 0.254 1.00 0.00 H new ATOM 0 HB2 GLU A 102 23.822 -5.729 -1.548 1.00 0.00 H new ATOM 0 HB3 GLU A 102 23.189 -7.272 -2.087 1.00 0.00 H new ATOM 0 HG2 GLU A 102 21.038 -6.785 -0.938 1.00 0.00 H new ATOM 0 HG3 GLU A 102 21.673 -5.238 -0.412 1.00 0.00 H new ATOM 1467 N LEU A 103 26.005 -6.990 0.443 1.00 0.00 N ATOM 1468 CA LEU A 103 27.418 -7.367 0.356 1.00 0.00 C ATOM 1469 C LEU A 103 27.999 -6.990 -1.006 1.00 0.00 C ATOM 1470 O LEU A 103 28.998 -6.275 -1.084 1.00 0.00 O ATOM 1471 CB LEU A 103 27.599 -8.870 0.616 1.00 0.00 C ATOM 1472 CG LEU A 103 29.047 -9.332 0.814 1.00 0.00 C ATOM 1473 CD1 LEU A 103 29.850 -9.169 -0.467 1.00 0.00 C ATOM 1474 CD2 LEU A 103 29.697 -8.561 1.953 1.00 0.00 C ATOM 0 H LEU A 103 25.831 -6.149 0.993 1.00 0.00 H new ATOM 0 HA LEU A 103 27.959 -6.816 1.125 1.00 0.00 H new ATOM 0 HB2 LEU A 103 27.025 -9.140 1.502 1.00 0.00 H new ATOM 0 HB3 LEU A 103 27.171 -9.421 -0.222 1.00 0.00 H new ATOM 0 HG LEU A 103 29.035 -10.391 1.072 1.00 0.00 H new ATOM 0 HD11 LEU A 103 30.874 -9.504 -0.300 1.00 0.00 H new ATOM 0 HD12 LEU A 103 29.398 -9.766 -1.259 1.00 0.00 H new ATOM 0 HD13 LEU A 103 29.855 -8.120 -0.762 1.00 0.00 H new ATOM 0 HD21 LEU A 103 30.725 -8.900 2.082 1.00 0.00 H new ATOM 0 HD22 LEU A 103 29.692 -7.496 1.721 1.00 0.00 H new ATOM 0 HD23 LEU A 103 29.140 -8.734 2.874 1.00 0.00 H new ATOM 1486 N GLN A 104 27.367 -7.474 -2.075 1.00 0.00 N ATOM 1487 CA GLN A 104 27.815 -7.189 -3.438 1.00 0.00 C ATOM 1488 C GLN A 104 29.331 -7.339 -3.578 1.00 0.00 C ATOM 1489 O GLN A 104 30.077 -6.368 -3.455 1.00 0.00 O ATOM 1490 CB GLN A 104 27.379 -5.782 -3.866 1.00 0.00 C ATOM 1491 CG GLN A 104 27.803 -4.679 -2.907 1.00 0.00 C ATOM 1492 CD GLN A 104 27.420 -3.298 -3.401 1.00 0.00 C ATOM 1493 OE1 GLN A 104 27.853 -2.866 -4.469 1.00 0.00 O ATOM 1494 NE2 GLN A 104 26.604 -2.596 -2.622 1.00 0.00 N ATOM 0 H GLN A 104 26.539 -8.068 -2.023 1.00 0.00 H new ATOM 0 HA GLN A 104 27.346 -7.921 -4.096 1.00 0.00 H new ATOM 0 HB2 GLN A 104 27.793 -5.570 -4.852 1.00 0.00 H new ATOM 0 HB3 GLN A 104 26.294 -5.765 -3.965 1.00 0.00 H new ATOM 0 HG2 GLN A 104 27.344 -4.853 -1.934 1.00 0.00 H new ATOM 0 HG3 GLN A 104 28.883 -4.723 -2.763 1.00 0.00 H new ATOM 0 HE21 GLN A 104 26.269 -2.994 -1.744 1.00 0.00 H new ATOM 0 HE22 GLN A 104 26.312 -1.659 -2.902 1.00 0.00 H new ATOM 1503 N PRO A 105 29.807 -8.569 -3.842 1.00 0.00 N ATOM 1504 CA PRO A 105 31.237 -8.844 -4.002 1.00 0.00 C ATOM 1505 C PRO A 105 31.780 -8.330 -5.332 1.00 0.00 C ATOM 1506 O PRO A 105 32.001 -9.102 -6.265 1.00 0.00 O ATOM 1507 CB PRO A 105 31.306 -10.371 -3.949 1.00 0.00 C ATOM 1508 CG PRO A 105 29.980 -10.824 -4.453 1.00 0.00 C ATOM 1509 CD PRO A 105 28.986 -9.785 -4.008 1.00 0.00 C ATOM 0 HA PRO A 105 31.839 -8.348 -3.240 1.00 0.00 H new ATOM 0 HB2 PRO A 105 32.117 -10.753 -4.569 1.00 0.00 H new ATOM 0 HB3 PRO A 105 31.486 -10.725 -2.934 1.00 0.00 H new ATOM 0 HG2 PRO A 105 29.987 -10.916 -5.539 1.00 0.00 H new ATOM 0 HG3 PRO A 105 29.725 -11.805 -4.051 1.00 0.00 H new ATOM 0 HD2 PRO A 105 28.199 -9.640 -4.748 1.00 0.00 H new ATOM 0 HD3 PRO A 105 28.498 -10.070 -3.076 1.00 0.00 H new ATOM 1517 N LEU A 106 31.991 -7.020 -5.412 1.00 0.00 N ATOM 1518 CA LEU A 106 32.507 -6.400 -6.627 1.00 0.00 C ATOM 1519 C LEU A 106 31.552 -6.612 -7.799 1.00 0.00 C ATOM 1520 O LEU A 106 31.962 -6.576 -8.959 1.00 0.00 O ATOM 1521 CB LEU A 106 33.885 -6.970 -6.970 1.00 0.00 C ATOM 1522 CG LEU A 106 34.955 -6.768 -5.897 1.00 0.00 C ATOM 1523 CD1 LEU A 106 36.277 -7.376 -6.340 1.00 0.00 C ATOM 1524 CD2 LEU A 106 35.125 -5.288 -5.587 1.00 0.00 C ATOM 0 H LEU A 106 31.812 -6.367 -4.649 1.00 0.00 H new ATOM 0 HA LEU A 106 32.597 -5.329 -6.445 1.00 0.00 H new ATOM 0 HB2 LEU A 106 33.782 -8.038 -7.162 1.00 0.00 H new ATOM 0 HB3 LEU A 106 34.230 -6.512 -7.897 1.00 0.00 H new ATOM 0 HG LEU A 106 34.632 -7.275 -4.988 1.00 0.00 H new ATOM 0 HD11 LEU A 106 37.026 -7.222 -5.564 1.00 0.00 H new ATOM 0 HD12 LEU A 106 36.147 -8.444 -6.512 1.00 0.00 H new ATOM 0 HD13 LEU A 106 36.607 -6.897 -7.262 1.00 0.00 H new ATOM 0 HD21 LEU A 106 35.890 -5.162 -4.821 1.00 0.00 H new ATOM 0 HD22 LEU A 106 35.426 -4.759 -6.491 1.00 0.00 H new ATOM 0 HD23 LEU A 106 34.180 -4.881 -5.226 1.00 0.00 H new ATOM 1536 N ALA A 107 30.277 -6.832 -7.490 1.00 0.00 N ATOM 1537 CA ALA A 107 29.270 -7.048 -8.517 1.00 0.00 C ATOM 1538 C ALA A 107 28.690 -5.725 -9.005 1.00 0.00 C ATOM 1539 O ALA A 107 28.456 -5.540 -10.199 1.00 0.00 O ATOM 1540 CB ALA A 107 28.164 -7.950 -7.991 1.00 0.00 C ATOM 0 H ALA A 107 29.920 -6.865 -6.535 1.00 0.00 H new ATOM 0 HA ALA A 107 29.750 -7.538 -9.364 1.00 0.00 H new ATOM 0 HB1 ALA A 107 27.418 -8.103 -8.770 1.00 0.00 H new ATOM 0 HB2 ALA A 107 28.586 -8.912 -7.700 1.00 0.00 H new ATOM 0 HB3 ALA A 107 27.694 -7.483 -7.125 1.00 0.00 H new ATOM 1546 N ILE A 108 28.461 -4.807 -8.071 1.00 0.00 N ATOM 1547 CA ILE A 108 27.907 -3.500 -8.403 1.00 0.00 C ATOM 1548 C ILE A 108 28.949 -2.399 -8.218 1.00 0.00 C ATOM 1549 O ILE A 108 28.862 -1.340 -8.841 1.00 0.00 O ATOM 1550 CB ILE A 108 26.671 -3.179 -7.537 1.00 0.00 C ATOM 1551 CG1 ILE A 108 25.618 -4.278 -7.688 1.00 0.00 C ATOM 1552 CG2 ILE A 108 26.087 -1.826 -7.918 1.00 0.00 C ATOM 1553 CD1 ILE A 108 24.376 -4.044 -6.857 1.00 0.00 C ATOM 0 H ILE A 108 28.651 -4.945 -7.078 1.00 0.00 H new ATOM 0 HA ILE A 108 27.606 -3.537 -9.450 1.00 0.00 H new ATOM 0 HB ILE A 108 26.982 -3.136 -6.493 1.00 0.00 H new ATOM 0 HG12 ILE A 108 25.334 -4.356 -8.737 1.00 0.00 H new ATOM 0 HG13 ILE A 108 26.059 -5.234 -7.406 1.00 0.00 H new ATOM 0 HG21 ILE A 108 25.216 -1.617 -7.296 1.00 0.00 H new ATOM 0 HG22 ILE A 108 26.837 -1.050 -7.764 1.00 0.00 H new ATOM 0 HG23 ILE A 108 25.789 -1.840 -8.966 1.00 0.00 H new ATOM 0 HD11 ILE A 108 23.674 -4.863 -7.014 1.00 0.00 H new ATOM 0 HD12 ILE A 108 24.647 -3.996 -5.802 1.00 0.00 H new ATOM 0 HD13 ILE A 108 23.911 -3.104 -7.155 1.00 0.00 H new ATOM 1565 N VAL A 109 29.933 -2.653 -7.360 1.00 0.00 N ATOM 1566 CA VAL A 109 30.987 -1.681 -7.097 1.00 0.00 C ATOM 1567 C VAL A 109 32.157 -1.860 -8.056 1.00 0.00 C ATOM 1568 O VAL A 109 33.314 -1.941 -7.643 1.00 0.00 O ATOM 1569 CB VAL A 109 31.491 -1.777 -5.641 1.00 0.00 C ATOM 1570 CG1 VAL A 109 32.054 -3.162 -5.357 1.00 0.00 C ATOM 1571 CG2 VAL A 109 32.527 -0.698 -5.355 1.00 0.00 C ATOM 0 H VAL A 109 30.022 -3.523 -6.836 1.00 0.00 H new ATOM 0 HA VAL A 109 30.553 -0.693 -7.252 1.00 0.00 H new ATOM 0 HB VAL A 109 30.644 -1.614 -4.975 1.00 0.00 H new ATOM 0 HG11 VAL A 109 32.404 -3.208 -4.326 1.00 0.00 H new ATOM 0 HG12 VAL A 109 31.276 -3.910 -5.510 1.00 0.00 H new ATOM 0 HG13 VAL A 109 32.887 -3.362 -6.032 1.00 0.00 H new ATOM 0 HG21 VAL A 109 32.868 -0.785 -4.323 1.00 0.00 H new ATOM 0 HG22 VAL A 109 33.375 -0.820 -6.029 1.00 0.00 H new ATOM 0 HG23 VAL A 109 32.081 0.285 -5.508 1.00 0.00 H new ATOM 1581 N ASP A 110 31.845 -1.899 -9.344 1.00 0.00 N ATOM 1582 CA ASP A 110 32.863 -2.042 -10.372 1.00 0.00 C ATOM 1583 C ASP A 110 33.445 -0.677 -10.718 1.00 0.00 C ATOM 1584 O ASP A 110 33.431 -0.254 -11.874 1.00 0.00 O ATOM 1585 CB ASP A 110 32.265 -2.690 -11.619 1.00 0.00 C ATOM 1586 CG ASP A 110 31.081 -1.915 -12.163 1.00 0.00 C ATOM 1587 OD1 ASP A 110 30.086 -1.755 -11.424 1.00 0.00 O ATOM 1588 OD2 ASP A 110 31.149 -1.467 -13.326 1.00 0.00 O ATOM 0 H ASP A 110 30.892 -1.833 -9.701 1.00 0.00 H new ATOM 0 HA ASP A 110 33.660 -2.682 -9.994 1.00 0.00 H new ATOM 0 HB2 ASP A 110 33.032 -2.764 -12.390 1.00 0.00 H new ATOM 0 HB3 ASP A 110 31.952 -3.707 -11.382 1.00 0.00 H new ATOM 1593 N GLN A 111 33.935 0.016 -9.696 1.00 0.00 N ATOM 1594 CA GLN A 111 34.501 1.345 -9.869 1.00 0.00 C ATOM 1595 C GLN A 111 33.462 2.291 -10.452 1.00 0.00 C ATOM 1596 O GLN A 111 33.624 2.792 -11.566 1.00 0.00 O ATOM 1597 CB GLN A 111 35.733 1.309 -10.777 1.00 0.00 C ATOM 1598 CG GLN A 111 36.803 0.333 -10.315 1.00 0.00 C ATOM 1599 CD GLN A 111 38.009 0.314 -11.233 1.00 0.00 C ATOM 1600 OE1 GLN A 111 39.175 0.637 -10.685 1.00 0.00 O flip ATOM 1601 NE2 GLN A 111 37.896 0.010 -12.421 1.00 0.00 N flip ATOM 0 H GLN A 111 33.951 -0.325 -8.735 1.00 0.00 H new ATOM 0 HA GLN A 111 34.807 1.706 -8.887 1.00 0.00 H new ATOM 0 HB2 GLN A 111 35.422 1.042 -11.787 1.00 0.00 H new ATOM 0 HB3 GLN A 111 36.164 2.309 -10.830 1.00 0.00 H new ATOM 0 HG2 GLN A 111 37.122 0.599 -9.307 1.00 0.00 H new ATOM 0 HG3 GLN A 111 36.377 -0.669 -10.260 1.00 0.00 H new ATOM 0 HE21 GLN A 111 36.981 -0.231 -12.801 1.00 0.00 H new ATOM 0 HE22 GLN A 111 38.718 -0.000 -13.025 1.00 0.00 H new ATOM 1610 N ARG A 112 32.394 2.541 -9.689 1.00 0.00 N ATOM 1611 CA ARG A 112 31.332 3.444 -10.134 1.00 0.00 C ATOM 1612 C ARG A 112 31.919 4.645 -10.875 1.00 0.00 C ATOM 1613 O ARG A 112 31.491 4.965 -11.984 1.00 0.00 O ATOM 1614 CB ARG A 112 30.479 3.910 -8.949 1.00 0.00 C ATOM 1615 CG ARG A 112 29.435 2.893 -8.506 1.00 0.00 C ATOM 1616 CD ARG A 112 30.070 1.590 -8.042 1.00 0.00 C ATOM 1617 NE ARG A 112 30.938 1.780 -6.881 1.00 0.00 N ATOM 1618 CZ ARG A 112 30.502 2.157 -5.681 1.00 0.00 C ATOM 1619 NH1 ARG A 112 29.205 2.338 -5.462 1.00 0.00 N ATOM 1620 NH2 ARG A 112 31.365 2.338 -4.690 1.00 0.00 N ATOM 0 H ARG A 112 32.243 2.133 -8.766 1.00 0.00 H new ATOM 0 HA ARG A 112 30.689 2.895 -10.822 1.00 0.00 H new ATOM 0 HB2 ARG A 112 31.134 4.134 -8.107 1.00 0.00 H new ATOM 0 HB3 ARG A 112 29.977 4.839 -9.218 1.00 0.00 H new ATOM 0 HG2 ARG A 112 28.839 3.314 -7.696 1.00 0.00 H new ATOM 0 HG3 ARG A 112 28.753 2.690 -9.332 1.00 0.00 H new ATOM 0 HD2 ARG A 112 29.286 0.874 -7.794 1.00 0.00 H new ATOM 0 HD3 ARG A 112 30.648 1.159 -8.859 1.00 0.00 H new ATOM 0 HE ARG A 112 31.938 1.614 -6.997 1.00 0.00 H new ATOM 0 HH11 ARG A 112 28.535 2.188 -6.216 1.00 0.00 H new ATOM 0 HH12 ARG A 112 28.879 2.627 -4.540 1.00 0.00 H new ATOM 0 HH21 ARG A 112 32.362 2.188 -4.848 1.00 0.00 H new ATOM 0 HH22 ARG A 112 31.032 2.627 -3.770 1.00 0.00 H new ATOM 1634 N PRO A 113 32.929 5.316 -10.283 1.00 0.00 N ATOM 1635 CA PRO A 113 33.587 6.464 -10.912 1.00 0.00 C ATOM 1636 C PRO A 113 33.862 6.234 -12.391 1.00 0.00 C ATOM 1637 O PRO A 113 33.449 7.026 -13.237 1.00 0.00 O ATOM 1638 CB PRO A 113 34.901 6.559 -10.140 1.00 0.00 C ATOM 1639 CG PRO A 113 34.557 6.081 -8.775 1.00 0.00 C ATOM 1640 CD PRO A 113 33.525 5.001 -8.965 1.00 0.00 C ATOM 0 HA PRO A 113 32.975 7.365 -10.874 1.00 0.00 H new ATOM 0 HB2 PRO A 113 35.676 5.942 -10.595 1.00 0.00 H new ATOM 0 HB3 PRO A 113 35.279 7.581 -10.121 1.00 0.00 H new ATOM 0 HG2 PRO A 113 35.438 5.694 -8.263 1.00 0.00 H new ATOM 0 HG3 PRO A 113 34.164 6.894 -8.164 1.00 0.00 H new ATOM 0 HD2 PRO A 113 33.977 4.009 -8.956 1.00 0.00 H new ATOM 0 HD3 PRO A 113 32.777 5.018 -8.172 1.00 0.00 H new ATOM 1648 N SER A 114 34.582 5.152 -12.688 1.00 0.00 N ATOM 1649 CA SER A 114 34.947 4.803 -14.063 1.00 0.00 C ATOM 1650 C SER A 114 36.164 5.608 -14.508 1.00 0.00 C ATOM 1651 O SER A 114 36.847 5.245 -15.466 1.00 0.00 O ATOM 1652 CB SER A 114 33.779 5.033 -15.030 1.00 0.00 C ATOM 1653 OG SER A 114 34.101 4.576 -16.333 1.00 0.00 O ATOM 0 H SER A 114 34.927 4.496 -11.988 1.00 0.00 H new ATOM 0 HA SER A 114 35.194 3.741 -14.082 1.00 0.00 H new ATOM 0 HB2 SER A 114 32.893 4.512 -14.667 1.00 0.00 H new ATOM 0 HB3 SER A 114 33.533 6.094 -15.063 1.00 0.00 H new ATOM 0 HG SER A 114 33.341 4.732 -16.931 1.00 0.00 H new ATOM 1659 N SER A 115 36.440 6.693 -13.790 1.00 0.00 N ATOM 1660 CA SER A 115 37.584 7.544 -14.085 1.00 0.00 C ATOM 1661 C SER A 115 38.417 7.748 -12.824 1.00 0.00 C ATOM 1662 O SER A 115 39.161 8.721 -12.704 1.00 0.00 O ATOM 1663 CB SER A 115 37.119 8.895 -14.633 1.00 0.00 C ATOM 1664 OG SER A 115 36.299 9.571 -13.695 1.00 0.00 O ATOM 0 H SER A 115 35.882 7.003 -12.995 1.00 0.00 H new ATOM 0 HA SER A 115 38.197 7.056 -14.843 1.00 0.00 H new ATOM 0 HB2 SER A 115 37.985 9.511 -14.874 1.00 0.00 H new ATOM 0 HB3 SER A 115 36.567 8.744 -15.561 1.00 0.00 H new ATOM 0 HG SER A 115 36.016 10.432 -14.068 1.00 0.00 H new ATOM 1670 N ARG A 116 38.275 6.817 -11.884 1.00 0.00 N ATOM 1671 CA ARG A 116 38.996 6.876 -10.623 1.00 0.00 C ATOM 1672 C ARG A 116 38.653 8.151 -9.857 1.00 0.00 C ATOM 1673 O ARG A 116 37.597 8.231 -9.230 1.00 0.00 O ATOM 1674 CB ARG A 116 40.505 6.755 -10.856 1.00 0.00 C ATOM 1675 CG ARG A 116 41.302 6.681 -9.567 1.00 0.00 C ATOM 1676 CD ARG A 116 40.894 5.471 -8.741 1.00 0.00 C ATOM 1677 NE ARG A 116 41.223 4.216 -9.412 1.00 0.00 N ATOM 1678 CZ ARG A 116 40.970 3.013 -8.901 1.00 0.00 C ATOM 1679 NH1 ARG A 116 40.386 2.899 -7.714 1.00 0.00 N ATOM 1680 NH2 ARG A 116 41.301 1.922 -9.577 1.00 0.00 N ATOM 0 H ARG A 116 37.661 6.008 -11.977 1.00 0.00 H new ATOM 0 HA ARG A 116 38.683 6.030 -10.011 1.00 0.00 H new ATOM 0 HB2 ARG A 116 40.704 5.864 -11.451 1.00 0.00 H new ATOM 0 HB3 ARG A 116 40.846 7.611 -11.439 1.00 0.00 H new ATOM 0 HG2 ARG A 116 42.366 6.627 -9.796 1.00 0.00 H new ATOM 0 HG3 ARG A 116 41.147 7.591 -8.987 1.00 0.00 H new ATOM 0 HD2 ARG A 116 41.394 5.507 -7.773 1.00 0.00 H new ATOM 0 HD3 ARG A 116 39.822 5.509 -8.547 1.00 0.00 H new ATOM 0 HE ARG A 116 41.673 4.264 -10.326 1.00 0.00 H new ATOM 0 HH11 ARG A 116 40.129 3.735 -7.190 1.00 0.00 H new ATOM 0 HH12 ARG A 116 40.194 1.975 -7.327 1.00 0.00 H new ATOM 0 HH21 ARG A 116 41.750 2.004 -10.489 1.00 0.00 H new ATOM 0 HH22 ARG A 116 41.107 1.001 -9.185 1.00 0.00 H new ATOM 1694 N ALA A 117 39.540 9.143 -9.886 1.00 0.00 N ATOM 1695 CA ALA A 117 39.303 10.388 -9.170 1.00 0.00 C ATOM 1696 C ALA A 117 39.352 10.169 -7.656 1.00 0.00 C ATOM 1697 O ALA A 117 39.265 11.123 -6.884 1.00 0.00 O ATOM 1698 CB ALA A 117 37.966 10.993 -9.579 1.00 0.00 C ATOM 0 H ALA A 117 40.423 9.107 -10.395 1.00 0.00 H new ATOM 0 HA ALA A 117 40.096 11.087 -9.436 1.00 0.00 H new ATOM 0 HB1 ALA A 117 37.806 11.923 -9.034 1.00 0.00 H new ATOM 0 HB2 ALA A 117 37.971 11.196 -10.650 1.00 0.00 H new ATOM 0 HB3 ALA A 117 37.164 10.293 -9.346 1.00 0.00 H new ATOM 1704 N SER A 118 39.494 8.909 -7.233 1.00 0.00 N ATOM 1705 CA SER A 118 39.555 8.588 -5.812 1.00 0.00 C ATOM 1706 C SER A 118 40.936 8.079 -5.431 1.00 0.00 C ATOM 1707 O SER A 118 41.074 7.183 -4.598 1.00 0.00 O ATOM 1708 CB SER A 118 38.494 7.546 -5.453 1.00 0.00 C ATOM 1709 OG SER A 118 38.687 6.347 -6.183 1.00 0.00 O ATOM 0 H SER A 118 39.568 8.103 -7.853 1.00 0.00 H new ATOM 0 HA SER A 118 39.357 9.501 -5.251 1.00 0.00 H new ATOM 0 HB2 SER A 118 38.534 7.335 -4.384 1.00 0.00 H new ATOM 0 HB3 SER A 118 37.502 7.946 -5.662 1.00 0.00 H new ATOM 0 HG SER A 118 37.997 5.697 -5.934 1.00 0.00 H new ATOM 1715 N SER A 119 41.960 8.669 -6.036 1.00 0.00 N ATOM 1716 CA SER A 119 43.335 8.289 -5.749 1.00 0.00 C ATOM 1717 C SER A 119 43.745 8.750 -4.350 1.00 0.00 C ATOM 1718 O SER A 119 44.828 8.414 -3.872 1.00 0.00 O ATOM 1719 CB SER A 119 44.280 8.887 -6.793 1.00 0.00 C ATOM 1720 OG SER A 119 45.625 8.526 -6.530 1.00 0.00 O ATOM 0 H SER A 119 41.863 9.412 -6.728 1.00 0.00 H new ATOM 0 HA SER A 119 43.402 7.202 -5.789 1.00 0.00 H new ATOM 0 HB2 SER A 119 43.995 8.541 -7.787 1.00 0.00 H new ATOM 0 HB3 SER A 119 44.185 9.973 -6.794 1.00 0.00 H new ATOM 0 HG SER A 119 45.733 8.340 -5.574 1.00 0.00 H new ATOM 1726 N ARG A 120 42.874 9.522 -3.696 1.00 0.00 N ATOM 1727 CA ARG A 120 43.157 10.021 -2.354 1.00 0.00 C ATOM 1728 C ARG A 120 43.427 8.870 -1.390 1.00 0.00 C ATOM 1729 O ARG A 120 44.341 8.937 -0.569 1.00 0.00 O ATOM 1730 CB ARG A 120 41.987 10.866 -1.845 1.00 0.00 C ATOM 1731 CG ARG A 120 41.690 12.078 -2.712 1.00 0.00 C ATOM 1732 CD ARG A 120 40.522 12.883 -2.164 1.00 0.00 C ATOM 1733 NE ARG A 120 40.786 13.389 -0.818 1.00 0.00 N ATOM 1734 CZ ARG A 120 41.717 14.298 -0.535 1.00 0.00 C ATOM 1735 NH1 ARG A 120 42.443 14.841 -1.504 1.00 0.00 N ATOM 1736 NH2 ARG A 120 41.912 14.677 0.721 1.00 0.00 N ATOM 0 H ARG A 120 41.972 9.812 -4.074 1.00 0.00 H new ATOM 0 HA ARG A 120 44.050 10.643 -2.405 1.00 0.00 H new ATOM 0 HB2 ARG A 120 41.095 10.241 -1.790 1.00 0.00 H new ATOM 0 HB3 ARG A 120 42.205 11.200 -0.831 1.00 0.00 H new ATOM 0 HG2 ARG A 120 42.575 12.712 -2.769 1.00 0.00 H new ATOM 0 HG3 ARG A 120 41.465 11.753 -3.728 1.00 0.00 H new ATOM 0 HD2 ARG A 120 40.314 13.720 -2.831 1.00 0.00 H new ATOM 0 HD3 ARG A 120 39.628 12.259 -2.147 1.00 0.00 H new ATOM 0 HE ARG A 120 40.223 13.024 -0.050 1.00 0.00 H new ATOM 0 HH11 ARG A 120 42.290 14.563 -2.473 1.00 0.00 H new ATOM 0 HH12 ARG A 120 43.154 15.537 -1.280 1.00 0.00 H new ATOM 0 HH21 ARG A 120 41.349 14.272 1.469 1.00 0.00 H new ATOM 0 HH22 ARG A 120 42.625 15.373 0.939 1.00 0.00 H new ATOM 1750 N ALA A 121 42.625 7.816 -1.499 1.00 0.00 N ATOM 1751 CA ALA A 121 42.778 6.648 -0.639 1.00 0.00 C ATOM 1752 C ALA A 121 42.675 7.029 0.834 1.00 0.00 C ATOM 1753 O ALA A 121 43.668 7.016 1.560 1.00 0.00 O ATOM 1754 CB ALA A 121 44.106 5.960 -0.918 1.00 0.00 C ATOM 0 H ALA A 121 41.863 7.747 -2.174 1.00 0.00 H new ATOM 0 HA ALA A 121 41.967 5.955 -0.862 1.00 0.00 H new ATOM 0 HB1 ALA A 121 44.208 5.090 -0.270 1.00 0.00 H new ATOM 0 HB2 ALA A 121 44.139 5.642 -1.960 1.00 0.00 H new ATOM 0 HB3 ALA A 121 44.923 6.655 -0.724 1.00 0.00 H new ATOM 1760 N SER A 122 41.466 7.366 1.270 1.00 0.00 N ATOM 1761 CA SER A 122 41.232 7.748 2.659 1.00 0.00 C ATOM 1762 C SER A 122 42.036 8.991 3.032 1.00 0.00 C ATOM 1763 O SER A 122 42.334 9.218 4.205 1.00 0.00 O ATOM 1764 CB SER A 122 41.594 6.594 3.595 1.00 0.00 C ATOM 1765 OG SER A 122 41.368 6.945 4.949 1.00 0.00 O ATOM 0 H SER A 122 40.633 7.383 0.682 1.00 0.00 H new ATOM 0 HA SER A 122 40.173 7.980 2.768 1.00 0.00 H new ATOM 0 HB2 SER A 122 41.001 5.715 3.340 1.00 0.00 H new ATOM 0 HB3 SER A 122 42.641 6.324 3.456 1.00 0.00 H new ATOM 0 HG SER A 122 41.844 7.777 5.155 1.00 0.00 H new ATOM 1771 N SER A 123 42.382 9.794 2.030 1.00 0.00 N ATOM 1772 CA SER A 123 43.148 11.015 2.258 1.00 0.00 C ATOM 1773 C SER A 123 44.471 10.713 2.960 1.00 0.00 C ATOM 1774 O SER A 123 44.802 11.329 3.974 1.00 0.00 O ATOM 1775 CB SER A 123 42.329 12.005 3.088 1.00 0.00 C ATOM 1776 OG SER A 123 43.053 13.202 3.314 1.00 0.00 O ATOM 0 H SER A 123 42.144 9.621 1.053 1.00 0.00 H new ATOM 0 HA SER A 123 43.371 11.459 1.288 1.00 0.00 H new ATOM 0 HB2 SER A 123 41.396 12.232 2.572 1.00 0.00 H new ATOM 0 HB3 SER A 123 42.063 11.551 4.043 1.00 0.00 H new ATOM 0 HG SER A 123 43.923 12.988 3.712 1.00 0.00 H new ATOM 1782 N ARG A 124 45.225 9.766 2.412 1.00 0.00 N ATOM 1783 CA ARG A 124 46.513 9.389 2.984 1.00 0.00 C ATOM 1784 C ARG A 124 46.350 8.871 4.413 1.00 0.00 C ATOM 1785 O ARG A 124 46.347 9.651 5.365 1.00 0.00 O ATOM 1786 CB ARG A 124 47.467 10.585 2.973 1.00 0.00 C ATOM 1787 CG ARG A 124 47.735 11.137 1.583 1.00 0.00 C ATOM 1788 CD ARG A 124 48.682 12.326 1.629 1.00 0.00 C ATOM 1789 NE ARG A 124 48.143 13.428 2.423 1.00 0.00 N ATOM 1790 CZ ARG A 124 47.065 14.132 2.084 1.00 0.00 C ATOM 1791 NH1 ARG A 124 46.435 13.888 0.941 1.00 0.00 N ATOM 1792 NH2 ARG A 124 46.624 15.095 2.882 1.00 0.00 N ATOM 0 H ARG A 124 44.967 9.246 1.573 1.00 0.00 H new ATOM 0 HA ARG A 124 46.931 8.589 2.373 1.00 0.00 H new ATOM 0 HB2 ARG A 124 47.050 11.377 3.595 1.00 0.00 H new ATOM 0 HB3 ARG A 124 48.413 10.288 3.426 1.00 0.00 H new ATOM 0 HG2 ARG A 124 48.162 10.355 0.956 1.00 0.00 H new ATOM 0 HG3 ARG A 124 46.794 11.437 1.122 1.00 0.00 H new ATOM 0 HD2 ARG A 124 49.638 12.012 2.048 1.00 0.00 H new ATOM 0 HD3 ARG A 124 48.877 12.673 0.614 1.00 0.00 H new ATOM 0 HE ARG A 124 48.622 13.673 3.290 1.00 0.00 H new ATOM 0 HH11 ARG A 124 46.776 13.157 0.316 1.00 0.00 H new ATOM 0 HH12 ARG A 124 45.610 14.431 0.688 1.00 0.00 H new ATOM 0 HH21 ARG A 124 47.111 15.296 3.755 1.00 0.00 H new ATOM 0 HH22 ARG A 124 45.798 15.634 2.622 1.00 0.00 H new ATOM 1806 N PRO A 125 46.212 7.543 4.584 1.00 0.00 N ATOM 1807 CA PRO A 125 46.050 6.933 5.907 1.00 0.00 C ATOM 1808 C PRO A 125 47.280 7.128 6.788 1.00 0.00 C ATOM 1809 O PRO A 125 47.187 7.695 7.877 1.00 0.00 O ATOM 1810 CB PRO A 125 45.833 5.447 5.606 1.00 0.00 C ATOM 1811 CG PRO A 125 46.385 5.239 4.238 1.00 0.00 C ATOM 1812 CD PRO A 125 46.204 6.539 3.506 1.00 0.00 C ATOM 0 HA PRO A 125 45.227 7.385 6.461 1.00 0.00 H new ATOM 0 HB2 PRO A 125 46.344 4.819 6.336 1.00 0.00 H new ATOM 0 HB3 PRO A 125 44.775 5.188 5.647 1.00 0.00 H new ATOM 0 HG2 PRO A 125 47.438 4.961 4.282 1.00 0.00 H new ATOM 0 HG3 PRO A 125 45.863 4.430 3.727 1.00 0.00 H new ATOM 0 HD2 PRO A 125 47.007 6.712 2.790 1.00 0.00 H new ATOM 0 HD3 PRO A 125 45.269 6.558 2.946 1.00 0.00 H new ATOM 1820 N ARG A 126 48.434 6.665 6.312 1.00 0.00 N ATOM 1821 CA ARG A 126 49.677 6.806 7.071 1.00 0.00 C ATOM 1822 C ARG A 126 50.870 6.254 6.298 1.00 0.00 C ATOM 1823 O ARG A 126 51.882 6.935 6.138 1.00 0.00 O ATOM 1824 CB ARG A 126 49.572 6.097 8.425 1.00 0.00 C ATOM 1825 CG ARG A 126 50.774 6.327 9.325 1.00 0.00 C ATOM 1826 CD ARG A 126 50.626 5.591 10.649 1.00 0.00 C ATOM 1827 NE ARG A 126 50.499 4.147 10.463 1.00 0.00 N ATOM 1828 CZ ARG A 126 51.470 3.369 9.989 1.00 0.00 C ATOM 1829 NH1 ARG A 126 52.660 3.882 9.698 1.00 0.00 N ATOM 1830 NH2 ARG A 126 51.256 2.072 9.820 1.00 0.00 N ATOM 0 H ARG A 126 48.536 6.193 5.413 1.00 0.00 H new ATOM 0 HA ARG A 126 49.834 7.872 7.235 1.00 0.00 H new ATOM 0 HB2 ARG A 126 48.674 6.441 8.937 1.00 0.00 H new ATOM 0 HB3 ARG A 126 49.453 5.027 8.257 1.00 0.00 H new ATOM 0 HG2 ARG A 126 51.679 5.990 8.819 1.00 0.00 H new ATOM 0 HG3 ARG A 126 50.892 7.394 9.512 1.00 0.00 H new ATOM 0 HD2 ARG A 126 51.491 5.800 11.279 1.00 0.00 H new ATOM 0 HD3 ARG A 126 49.749 5.967 11.176 1.00 0.00 H new ATOM 0 HE ARG A 126 49.612 3.708 10.711 1.00 0.00 H new ATOM 0 HH11 ARG A 126 52.834 4.877 9.837 1.00 0.00 H new ATOM 0 HH12 ARG A 126 53.400 3.281 9.335 1.00 0.00 H new ATOM 0 HH21 ARG A 126 50.348 1.670 10.053 1.00 0.00 H new ATOM 0 HH22 ARG A 126 51.999 1.476 9.457 1.00 0.00 H new ATOM 1844 N PRO A 127 50.772 5.006 5.811 1.00 0.00 N ATOM 1845 CA PRO A 127 51.830 4.357 5.064 1.00 0.00 C ATOM 1846 C PRO A 127 51.608 4.495 3.565 1.00 0.00 C ATOM 1847 O PRO A 127 51.340 3.512 2.874 1.00 0.00 O ATOM 1848 CB PRO A 127 51.688 2.893 5.504 1.00 0.00 C ATOM 1849 CG PRO A 127 50.290 2.756 6.053 1.00 0.00 C ATOM 1850 CD PRO A 127 49.627 4.106 5.937 1.00 0.00 C ATOM 0 HA PRO A 127 52.817 4.780 5.250 1.00 0.00 H new ATOM 0 HB2 PRO A 127 51.845 2.216 4.664 1.00 0.00 H new ATOM 0 HB3 PRO A 127 52.431 2.639 6.261 1.00 0.00 H new ATOM 0 HG2 PRO A 127 49.731 2.004 5.496 1.00 0.00 H new ATOM 0 HG3 PRO A 127 50.316 2.429 7.092 1.00 0.00 H new ATOM 0 HD2 PRO A 127 48.968 4.162 5.070 1.00 0.00 H new ATOM 0 HD3 PRO A 127 49.022 4.338 6.813 1.00 0.00 H new ATOM 1858 N ASP A 128 51.685 5.729 3.073 1.00 0.00 N ATOM 1859 CA ASP A 128 51.453 6.011 1.660 1.00 0.00 C ATOM 1860 C ASP A 128 49.965 5.861 1.365 1.00 0.00 C ATOM 1861 O ASP A 128 49.291 6.825 1.002 1.00 0.00 O ATOM 1862 CB ASP A 128 52.273 5.074 0.766 1.00 0.00 C ATOM 1863 CG ASP A 128 52.232 5.486 -0.693 1.00 0.00 C ATOM 1864 OD1 ASP A 128 51.122 5.564 -1.258 1.00 0.00 O ATOM 1865 OD2 ASP A 128 53.312 5.732 -1.269 1.00 0.00 O ATOM 0 H ASP A 128 51.907 6.551 3.634 1.00 0.00 H new ATOM 0 HA ASP A 128 51.772 7.031 1.444 1.00 0.00 H new ATOM 0 HB2 ASP A 128 53.308 5.062 1.109 1.00 0.00 H new ATOM 0 HB3 ASP A 128 51.893 4.057 0.865 1.00 0.00 H new ATOM 1870 N ASP A 129 49.458 4.647 1.562 1.00 0.00 N ATOM 1871 CA ASP A 129 48.046 4.352 1.362 1.00 0.00 C ATOM 1872 C ASP A 129 47.768 2.879 1.639 1.00 0.00 C ATOM 1873 O ASP A 129 47.012 2.229 0.918 1.00 0.00 O ATOM 1874 CB ASP A 129 47.593 4.724 -0.050 1.00 0.00 C ATOM 1875 CG ASP A 129 48.200 3.833 -1.116 1.00 0.00 C ATOM 1876 OD1 ASP A 129 49.443 3.796 -1.220 1.00 0.00 O ATOM 1877 OD2 ASP A 129 47.432 3.172 -1.846 1.00 0.00 O ATOM 0 H ASP A 129 50.012 3.846 1.863 1.00 0.00 H new ATOM 0 HA ASP A 129 47.475 4.958 2.066 1.00 0.00 H new ATOM 0 HB2 ASP A 129 46.506 4.661 -0.106 1.00 0.00 H new ATOM 0 HB3 ASP A 129 47.863 5.760 -0.252 1.00 0.00 H new ATOM 1882 N LEU A 130 48.389 2.367 2.699 1.00 0.00 N ATOM 1883 CA LEU A 130 48.224 0.974 3.106 1.00 0.00 C ATOM 1884 C LEU A 130 48.889 0.010 2.127 1.00 0.00 C ATOM 1885 O LEU A 130 48.735 -1.206 2.245 1.00 0.00 O ATOM 1886 CB LEU A 130 46.743 0.632 3.245 1.00 0.00 C ATOM 1887 CG LEU A 130 45.975 1.505 4.231 1.00 0.00 C ATOM 1888 CD1 LEU A 130 44.496 1.184 4.170 1.00 0.00 C ATOM 1889 CD2 LEU A 130 46.509 1.311 5.643 1.00 0.00 C ATOM 0 H LEU A 130 49.018 2.903 3.297 1.00 0.00 H new ATOM 0 HA LEU A 130 48.715 0.860 4.072 1.00 0.00 H new ATOM 0 HB2 LEU A 130 46.272 0.714 2.265 1.00 0.00 H new ATOM 0 HB3 LEU A 130 46.653 -0.409 3.556 1.00 0.00 H new ATOM 0 HG LEU A 130 46.115 2.550 3.955 1.00 0.00 H new ATOM 0 HD11 LEU A 130 43.958 1.814 4.878 1.00 0.00 H new ATOM 0 HD12 LEU A 130 44.124 1.371 3.163 1.00 0.00 H new ATOM 0 HD13 LEU A 130 44.340 0.136 4.425 1.00 0.00 H new ATOM 0 HD21 LEU A 130 45.949 1.942 6.334 1.00 0.00 H new ATOM 0 HD22 LEU A 130 46.397 0.266 5.934 1.00 0.00 H new ATOM 0 HD23 LEU A 130 47.563 1.586 5.674 1.00 0.00 H new ATOM 1901 N GLU A 131 49.628 0.549 1.165 1.00 0.00 N ATOM 1902 CA GLU A 131 50.312 -0.282 0.178 1.00 0.00 C ATOM 1903 C GLU A 131 51.723 -0.641 0.642 1.00 0.00 C ATOM 1904 O GLU A 131 52.557 -1.061 -0.159 1.00 0.00 O ATOM 1905 CB GLU A 131 50.383 0.437 -1.171 1.00 0.00 C ATOM 1906 CG GLU A 131 51.292 1.656 -1.166 1.00 0.00 C ATOM 1907 CD GLU A 131 51.342 2.356 -2.511 1.00 0.00 C ATOM 1908 OE1 GLU A 131 50.664 1.889 -3.451 1.00 0.00 O ATOM 1909 OE2 GLU A 131 52.060 3.372 -2.625 1.00 0.00 O ATOM 0 H GLU A 131 49.770 1.552 1.046 1.00 0.00 H new ATOM 0 HA GLU A 131 49.738 -1.202 0.066 1.00 0.00 H new ATOM 0 HB2 GLU A 131 50.734 -0.264 -1.928 1.00 0.00 H new ATOM 0 HB3 GLU A 131 49.379 0.745 -1.462 1.00 0.00 H new ATOM 0 HG2 GLU A 131 50.946 2.359 -0.408 1.00 0.00 H new ATOM 0 HG3 GLU A 131 52.299 1.352 -0.882 1.00 0.00 H new ATOM 1916 N ILE A 132 51.988 -0.470 1.936 1.00 0.00 N ATOM 1917 CA ILE A 132 53.300 -0.776 2.494 1.00 0.00 C ATOM 1918 C ILE A 132 54.362 0.166 1.934 1.00 0.00 C ATOM 1919 O ILE A 132 54.074 0.854 0.933 1.00 0.00 O ATOM 1920 CB ILE A 132 53.709 -2.233 2.202 1.00 0.00 C ATOM 1921 CG1 ILE A 132 52.652 -3.199 2.739 1.00 0.00 C ATOM 1922 CG2 ILE A 132 55.070 -2.540 2.813 1.00 0.00 C ATOM 1923 CD1 ILE A 132 52.979 -4.655 2.486 1.00 0.00 C ATOM 1924 OXT ILE A 132 55.474 0.207 2.503 1.00 0.00 O ATOM 0 H ILE A 132 51.311 -0.122 2.615 1.00 0.00 H new ATOM 0 HA ILE A 132 53.229 -0.640 3.573 1.00 0.00 H new ATOM 0 HB ILE A 132 53.781 -2.362 1.122 1.00 0.00 H new ATOM 0 HG12 ILE A 132 52.539 -3.041 3.812 1.00 0.00 H new ATOM 0 HG13 ILE A 132 51.691 -2.966 2.280 1.00 0.00 H new ATOM 0 HG21 ILE A 132 55.341 -3.573 2.596 1.00 0.00 H new ATOM 0 HG22 ILE A 132 55.819 -1.871 2.388 1.00 0.00 H new ATOM 0 HG23 ILE A 132 55.025 -2.396 3.892 1.00 0.00 H new ATOM 0 HD11 ILE A 132 52.186 -5.282 2.894 1.00 0.00 H new ATOM 0 HD12 ILE A 132 53.063 -4.828 1.413 1.00 0.00 H new ATOM 0 HD13 ILE A 132 53.924 -4.905 2.969 1.00 0.00 H new TER 1936 ILE A 132