USER MOD reduce.3.24.130724 H: found=0, std=0, add=1012, rem=0, adj=38 USER MOD reduce.3.24.130724 removed 1007 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 THR OG1 : rot 5:sc= -0.0125 USER MOD Set 1.2: A 57 SER OG : rot 16:sc= 0.675 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= -0.0181 USER MOD Single : A 3 SER OG : rot -66:sc= 1.11 USER MOD Single : A 5 SER OG : rot 41:sc= 0.174 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 13 THR OG1 : rot 45:sc= 0.0808 USER MOD Single : A 14 THR OG1 : rot 3:sc= -0.49! USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 THR OG1 : rot 180:sc= 0.0351 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 SER OG : rot 180:sc= -0.0272 USER MOD Single : A 22 ASN : amide:sc= -0.259 K(o=-0.26,f=-2.3!) USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 GLN : amide:sc= -8.64! C(o=-8.6!,f=-19!) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 LYS NZ :NH3+ 161:sc= -0.0226 (180deg=-0.245) USER MOD Single : A 35 TYR OH : rot 165:sc= -0.0531 USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 39 THR OG1 : rot 90:sc= -1.14 USER MOD Single : A 42 HIS : no HD1:sc= 0.53 K(o=0.53,f=-2.6!) USER MOD Single : A 43 GLN : amide:sc= -0.0183 X(o=-0.018,f=-0.22) USER MOD Single : A 46 THR OG1 : rot -23:sc= 0.522 USER MOD Single : A 48 ASN : amide:sc= -3.06! X(o=-3.1!,f=-3) USER MOD Single : A 50 GLN : amide:sc= 0 X(o=0,f=-0.068) USER MOD Single : A 52 HIS : no HD1:sc= -0.0209 X(o=-0.021,f=-0.0057) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 ASN : amide:sc= -0.248 K(o=-0.25,f=-2!) USER MOD Single : A 66 ASN : amide:sc= -1.2 K(o=-1.2,f=-0.4) USER MOD Single : A 68 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0391) USER MOD Single : A 69 SER OG : rot 180:sc= 0.00993 USER MOD Single : A 70 TYR OH : rot 180:sc= -1.72 USER MOD Single : A 71 SER OG : rot -49:sc= 1.21 USER MOD Single : A 72 MET CE :methyl -127:sc= -7.4! (180deg=-12.2!) USER MOD Single : A 75 ASN : amide:sc= -0.0426 X(o=-0.043,f=-0.48) USER MOD Single : A 76 ASN : amide:sc= -3.21! C(o=-3.2!,f=-4.9!) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 86 SER OG : rot 89:sc= 2.25 USER MOD Single : A 87 SER OG : rot -38:sc= -0.201! USER MOD Single : A 88 LYS NZ :NH3+ -112:sc= -1.53 (180deg=-4.43!) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 THR OG1 : rot 180:sc= 0.00844 USER MOD Single : A 94 THR OG1 : rot -22:sc= 0.272 USER MOD Single : A 99 CYS SG : rot 52:sc= 0.0218 USER MOD Single : A 101 LYS NZ :NH3+ -149:sc= 0.469 (180deg=-1.47) USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 ASN : amide:sc= 0 K(o=0,f=-0.57) USER MOD Single : A 106 THR OG1 : rot 73:sc= 0.0317 USER MOD Single : A 110 TYR OH : rot 180:sc= 0 USER MOD Single : A 112 THR OG1 : rot 180:sc= 0 USER MOD Single : A 113 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 116 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 118 CYS SG : rot 180:sc= -1.19 USER MOD Single : A 119 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 121 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 122 SER OG : rot 180:sc= 0 USER MOD Single : A 125 SER OG : rot -57:sc= 0.0178 USER MOD Single : A 126 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -21.372 -26.935 49.527 1.00 0.00 N ATOM 2 CA GLY A 1 -20.640 -25.974 48.720 1.00 0.00 C ATOM 3 C GLY A 1 -21.592 -25.141 47.859 1.00 0.00 C ATOM 4 O GLY A 1 -22.310 -24.285 48.373 1.00 0.00 O ATOM 0 H1 GLY A 1 -20.703 -27.487 50.101 1.00 0.00 H new ATOM 0 H2 GLY A 1 -22.032 -26.431 50.153 1.00 0.00 H new ATOM 0 H3 GLY A 1 -21.905 -27.576 48.905 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -20.061 -25.316 49.368 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -19.930 -26.498 48.080 1.00 0.00 H new ATOM 8 N SER A 2 -21.568 -25.423 46.565 1.00 0.00 N ATOM 9 CA SER A 2 -22.421 -24.711 45.628 1.00 0.00 C ATOM 10 C SER A 2 -21.849 -23.318 45.355 1.00 0.00 C ATOM 11 O SER A 2 -21.387 -23.038 44.250 1.00 0.00 O ATOM 12 CB SER A 2 -23.852 -24.603 46.158 1.00 0.00 C ATOM 13 OG SER A 2 -24.310 -25.832 46.714 1.00 0.00 O ATOM 0 H SER A 2 -20.971 -26.135 46.143 1.00 0.00 H new ATOM 0 HA SER A 2 -22.450 -25.274 44.695 1.00 0.00 H new ATOM 0 HB2 SER A 2 -23.899 -23.822 46.917 1.00 0.00 H new ATOM 0 HB3 SER A 2 -24.517 -24.302 45.348 1.00 0.00 H new ATOM 0 HG SER A 2 -25.227 -25.721 47.043 1.00 0.00 H new ATOM 19 N SER A 3 -21.899 -22.481 46.381 1.00 0.00 N ATOM 20 CA SER A 3 -21.392 -21.124 46.265 1.00 0.00 C ATOM 21 C SER A 3 -22.206 -20.348 45.227 1.00 0.00 C ATOM 22 O SER A 3 -22.967 -20.939 44.463 1.00 0.00 O ATOM 23 CB SER A 3 -19.909 -21.121 45.888 1.00 0.00 C ATOM 24 OG SER A 3 -19.716 -21.246 44.482 1.00 0.00 O ATOM 0 H SER A 3 -22.283 -22.716 47.296 1.00 0.00 H new ATOM 0 HA SER A 3 -21.493 -20.636 47.235 1.00 0.00 H new ATOM 0 HB2 SER A 3 -19.448 -20.197 46.237 1.00 0.00 H new ATOM 0 HB3 SER A 3 -19.404 -21.941 46.398 1.00 0.00 H new ATOM 0 HG SER A 3 -20.015 -22.132 44.188 1.00 0.00 H new ATOM 30 N GLY A 4 -22.016 -19.037 45.233 1.00 0.00 N ATOM 31 CA GLY A 4 -22.723 -18.174 44.302 1.00 0.00 C ATOM 32 C GLY A 4 -21.784 -17.120 43.711 1.00 0.00 C ATOM 33 O GLY A 4 -21.079 -16.431 44.446 1.00 0.00 O ATOM 0 H GLY A 4 -21.383 -18.551 45.868 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -23.154 -18.774 43.500 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -23.551 -17.683 44.813 1.00 0.00 H new ATOM 37 N SER A 5 -21.807 -17.028 42.390 1.00 0.00 N ATOM 38 CA SER A 5 -20.967 -16.069 41.692 1.00 0.00 C ATOM 39 C SER A 5 -21.524 -15.808 40.291 1.00 0.00 C ATOM 40 O SER A 5 -22.396 -16.535 39.821 1.00 0.00 O ATOM 41 CB SER A 5 -19.522 -16.564 41.605 1.00 0.00 C ATOM 42 OG SER A 5 -18.700 -15.996 42.621 1.00 0.00 O ATOM 0 H SER A 5 -22.394 -17.602 41.784 1.00 0.00 H new ATOM 0 HA SER A 5 -20.970 -15.137 42.257 1.00 0.00 H new ATOM 0 HB2 SER A 5 -19.505 -17.650 41.691 1.00 0.00 H new ATOM 0 HB3 SER A 5 -19.112 -16.315 40.626 1.00 0.00 H new ATOM 0 HG SER A 5 -19.196 -15.967 43.465 1.00 0.00 H new ATOM 48 N SER A 6 -20.996 -14.766 39.665 1.00 0.00 N ATOM 49 CA SER A 6 -21.430 -14.399 38.327 1.00 0.00 C ATOM 50 C SER A 6 -20.219 -14.032 37.467 1.00 0.00 C ATOM 51 O SER A 6 -19.185 -13.617 37.989 1.00 0.00 O ATOM 52 CB SER A 6 -22.423 -13.236 38.370 1.00 0.00 C ATOM 53 OG SER A 6 -23.532 -13.512 39.222 1.00 0.00 O ATOM 0 H SER A 6 -20.272 -14.165 40.059 1.00 0.00 H new ATOM 0 HA SER A 6 -21.936 -15.257 37.884 1.00 0.00 H new ATOM 0 HB2 SER A 6 -21.914 -12.337 38.718 1.00 0.00 H new ATOM 0 HB3 SER A 6 -22.783 -13.029 37.362 1.00 0.00 H new ATOM 0 HG SER A 6 -24.142 -12.745 39.224 1.00 0.00 H new ATOM 59 N GLY A 7 -20.387 -14.198 36.163 1.00 0.00 N ATOM 60 CA GLY A 7 -19.321 -13.890 35.226 1.00 0.00 C ATOM 61 C GLY A 7 -19.658 -14.402 33.824 1.00 0.00 C ATOM 62 O GLY A 7 -20.079 -15.546 33.662 1.00 0.00 O ATOM 0 H GLY A 7 -21.246 -14.542 35.734 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -19.160 -12.812 35.194 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -18.390 -14.342 35.568 1.00 0.00 H new ATOM 66 N VAL A 8 -19.460 -13.530 32.846 1.00 0.00 N ATOM 67 CA VAL A 8 -19.738 -13.880 31.464 1.00 0.00 C ATOM 68 C VAL A 8 -18.535 -13.503 30.596 1.00 0.00 C ATOM 69 O VAL A 8 -18.209 -12.325 30.459 1.00 0.00 O ATOM 70 CB VAL A 8 -21.037 -13.214 31.006 1.00 0.00 C ATOM 71 CG1 VAL A 8 -21.328 -13.531 29.538 1.00 0.00 C ATOM 72 CG2 VAL A 8 -22.209 -13.627 31.899 1.00 0.00 C ATOM 0 H VAL A 8 -19.110 -12.582 32.984 1.00 0.00 H new ATOM 0 HA VAL A 8 -19.888 -14.955 31.365 1.00 0.00 H new ATOM 0 HB VAL A 8 -20.910 -12.135 31.097 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -22.257 -13.045 29.238 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -20.510 -13.165 28.918 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -21.425 -14.609 29.411 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -23.120 -13.140 31.552 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -22.336 -14.709 31.855 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -22.006 -13.327 32.927 1.00 0.00 H new ATOM 82 N VAL A 9 -17.910 -14.526 30.032 1.00 0.00 N ATOM 83 CA VAL A 9 -16.751 -14.317 29.181 1.00 0.00 C ATOM 84 C VAL A 9 -17.218 -13.998 27.759 1.00 0.00 C ATOM 85 O VAL A 9 -18.177 -14.592 27.269 1.00 0.00 O ATOM 86 CB VAL A 9 -15.827 -15.535 29.247 1.00 0.00 C ATOM 87 CG1 VAL A 9 -14.967 -15.640 27.986 1.00 0.00 C ATOM 88 CG2 VAL A 9 -14.955 -15.495 30.503 1.00 0.00 C ATOM 0 H VAL A 9 -18.184 -15.502 30.148 1.00 0.00 H new ATOM 0 HA VAL A 9 -16.169 -13.464 29.531 1.00 0.00 H new ATOM 0 HB VAL A 9 -16.452 -16.426 29.302 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -14.320 -16.514 28.059 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -15.612 -15.738 27.113 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -14.356 -14.743 27.887 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -14.308 -16.372 30.525 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -14.343 -14.593 30.493 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -15.591 -15.491 31.388 1.00 0.00 H new ATOM 98 N ALA A 10 -16.519 -13.060 27.137 1.00 0.00 N ATOM 99 CA ALA A 10 -16.850 -12.654 25.782 1.00 0.00 C ATOM 100 C ALA A 10 -15.577 -12.642 24.933 1.00 0.00 C ATOM 101 O ALA A 10 -14.797 -11.693 24.989 1.00 0.00 O ATOM 102 CB ALA A 10 -17.543 -11.290 25.812 1.00 0.00 C ATOM 0 H ALA A 10 -15.724 -12.569 27.547 1.00 0.00 H new ATOM 0 HA ALA A 10 -17.543 -13.362 25.328 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -17.791 -10.986 24.795 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -18.456 -11.359 26.403 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -16.876 -10.553 26.259 1.00 0.00 H new ATOM 108 N PRO A 11 -15.403 -13.737 24.144 1.00 0.00 N ATOM 109 CA PRO A 11 -14.238 -13.861 23.284 1.00 0.00 C ATOM 110 C PRO A 11 -14.363 -12.955 22.058 1.00 0.00 C ATOM 111 O PRO A 11 -15.460 -12.514 21.716 1.00 0.00 O ATOM 112 CB PRO A 11 -14.169 -15.337 22.927 1.00 0.00 C ATOM 113 CG PRO A 11 -15.550 -15.901 23.216 1.00 0.00 C ATOM 114 CD PRO A 11 -16.306 -14.880 24.051 1.00 0.00 C ATOM 0 HA PRO A 11 -13.318 -13.539 23.772 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -13.903 -15.473 21.879 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -13.408 -15.846 23.518 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -16.082 -16.103 22.286 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -15.471 -16.848 23.750 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -17.249 -14.603 23.580 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -16.547 -15.276 25.038 1.00 0.00 H new ATOM 122 N ILE A 12 -13.225 -12.703 21.429 1.00 0.00 N ATOM 123 CA ILE A 12 -13.193 -11.857 20.248 1.00 0.00 C ATOM 124 C ILE A 12 -13.977 -12.532 19.121 1.00 0.00 C ATOM 125 O ILE A 12 -13.876 -13.743 18.928 1.00 0.00 O ATOM 126 CB ILE A 12 -11.749 -11.514 19.873 1.00 0.00 C ATOM 127 CG1 ILE A 12 -10.911 -12.783 19.701 1.00 0.00 C ATOM 128 CG2 ILE A 12 -11.132 -10.553 20.891 1.00 0.00 C ATOM 129 CD1 ILE A 12 -10.544 -13.002 18.232 1.00 0.00 C ATOM 0 H ILE A 12 -12.317 -13.070 21.715 1.00 0.00 H new ATOM 0 HA ILE A 12 -13.681 -10.903 20.450 1.00 0.00 H new ATOM 0 HB ILE A 12 -11.758 -11.002 18.911 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -10.003 -12.707 20.299 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -11.467 -13.644 20.073 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -10.106 -10.325 20.601 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -11.714 -9.632 20.920 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -11.136 -11.016 21.878 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -9.949 -13.910 18.137 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -11.454 -13.101 17.641 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -9.967 -12.151 17.870 1.00 0.00 H new ATOM 141 N THR A 13 -14.741 -11.720 18.405 1.00 0.00 N ATOM 142 CA THR A 13 -15.541 -12.224 17.302 1.00 0.00 C ATOM 143 C THR A 13 -15.221 -11.458 16.017 1.00 0.00 C ATOM 144 O THR A 13 -15.518 -10.269 15.908 1.00 0.00 O ATOM 145 CB THR A 13 -17.014 -12.138 17.710 1.00 0.00 C ATOM 146 OG1 THR A 13 -17.119 -10.878 18.367 1.00 0.00 O ATOM 147 CG2 THR A 13 -17.382 -13.155 18.792 1.00 0.00 C ATOM 0 H THR A 13 -14.823 -10.716 18.567 1.00 0.00 H new ATOM 0 HA THR A 13 -15.308 -13.267 17.088 1.00 0.00 H new ATOM 0 HB THR A 13 -17.643 -12.297 16.834 1.00 0.00 H new ATOM 0 HG1 THR A 13 -16.650 -10.196 17.843 1.00 0.00 H new ATOM 0 HG21 THR A 13 -18.437 -13.052 19.045 1.00 0.00 H new ATOM 0 HG22 THR A 13 -17.195 -14.163 18.423 1.00 0.00 H new ATOM 0 HG23 THR A 13 -16.777 -12.976 19.681 1.00 0.00 H new ATOM 155 N THR A 14 -14.618 -12.170 15.077 1.00 0.00 N ATOM 156 CA THR A 14 -14.254 -11.573 13.803 1.00 0.00 C ATOM 157 C THR A 14 -13.508 -10.256 14.026 1.00 0.00 C ATOM 158 O THR A 14 -12.881 -10.062 15.066 1.00 0.00 O ATOM 159 CB THR A 14 -15.530 -11.416 12.973 1.00 0.00 C ATOM 160 OG1 THR A 14 -16.220 -10.337 13.597 1.00 0.00 O ATOM 161 CG2 THR A 14 -16.479 -12.605 13.127 1.00 0.00 C ATOM 0 H THR A 14 -14.372 -13.155 15.172 1.00 0.00 H new ATOM 0 HA THR A 14 -13.565 -12.211 13.249 1.00 0.00 H new ATOM 0 HB THR A 14 -15.266 -11.297 11.922 1.00 0.00 H new ATOM 0 HG1 THR A 14 -15.676 -9.981 14.330 1.00 0.00 H new ATOM 0 HG21 THR A 14 -17.368 -12.442 12.517 1.00 0.00 H new ATOM 0 HG22 THR A 14 -15.977 -13.516 12.801 1.00 0.00 H new ATOM 0 HG23 THR A 14 -16.770 -12.705 14.173 1.00 0.00 H new ATOM 169 N GLY A 15 -13.601 -9.385 13.032 1.00 0.00 N ATOM 170 CA GLY A 15 -12.942 -8.092 13.106 1.00 0.00 C ATOM 171 C GLY A 15 -11.465 -8.206 12.726 1.00 0.00 C ATOM 172 O GLY A 15 -10.681 -8.824 13.444 1.00 0.00 O ATOM 0 H GLY A 15 -14.123 -9.549 12.171 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -13.439 -7.388 12.439 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -13.031 -7.692 14.116 1.00 0.00 H new ATOM 176 N TYR A 16 -11.129 -7.600 11.596 1.00 0.00 N ATOM 177 CA TYR A 16 -9.760 -7.626 11.111 1.00 0.00 C ATOM 178 C TYR A 16 -9.603 -6.755 9.863 1.00 0.00 C ATOM 179 O TYR A 16 -10.589 -6.417 9.210 1.00 0.00 O ATOM 180 CB TYR A 16 -9.470 -9.082 10.742 1.00 0.00 C ATOM 181 CG TYR A 16 -10.471 -9.684 9.754 1.00 0.00 C ATOM 182 CD1 TYR A 16 -10.453 -9.293 8.430 1.00 0.00 C ATOM 183 CD2 TYR A 16 -11.390 -10.618 10.185 1.00 0.00 C ATOM 184 CE1 TYR A 16 -11.394 -9.860 7.499 1.00 0.00 C ATOM 185 CE2 TYR A 16 -12.332 -11.185 9.254 1.00 0.00 C ATOM 186 CZ TYR A 16 -12.287 -10.777 7.957 1.00 0.00 C ATOM 187 OH TYR A 16 -13.177 -11.312 7.078 1.00 0.00 O ATOM 0 H TYR A 16 -11.782 -7.088 11.003 1.00 0.00 H new ATOM 0 HA TYR A 16 -9.078 -7.243 11.870 1.00 0.00 H new ATOM 0 HB2 TYR A 16 -8.470 -9.145 10.314 1.00 0.00 H new ATOM 0 HB3 TYR A 16 -9.466 -9.683 11.651 1.00 0.00 H new ATOM 0 HD1 TYR A 16 -9.733 -8.562 8.093 1.00 0.00 H new ATOM 0 HD2 TYR A 16 -11.403 -10.924 11.221 1.00 0.00 H new ATOM 0 HE1 TYR A 16 -11.390 -9.563 6.461 1.00 0.00 H new ATOM 0 HE2 TYR A 16 -13.057 -11.917 9.578 1.00 0.00 H new ATOM 0 HH TYR A 16 -13.753 -11.953 7.545 1.00 0.00 H new ATOM 197 N THR A 17 -8.356 -6.418 9.569 1.00 0.00 N ATOM 198 CA THR A 17 -8.058 -5.593 8.410 1.00 0.00 C ATOM 199 C THR A 17 -7.957 -6.458 7.152 1.00 0.00 C ATOM 200 O THR A 17 -7.523 -7.607 7.217 1.00 0.00 O ATOM 201 CB THR A 17 -6.783 -4.802 8.708 1.00 0.00 C ATOM 202 OG1 THR A 17 -6.727 -4.757 10.131 1.00 0.00 O ATOM 203 CG2 THR A 17 -6.893 -3.334 8.292 1.00 0.00 C ATOM 0 H THR A 17 -7.541 -6.701 10.113 1.00 0.00 H new ATOM 0 HA THR A 17 -8.860 -4.882 8.214 1.00 0.00 H new ATOM 0 HB THR A 17 -5.941 -5.263 8.191 1.00 0.00 H new ATOM 0 HG1 THR A 17 -5.928 -4.263 10.411 1.00 0.00 H new ATOM 0 HG21 THR A 17 -5.961 -2.819 8.526 1.00 0.00 H new ATOM 0 HG22 THR A 17 -7.083 -3.273 7.220 1.00 0.00 H new ATOM 0 HG23 THR A 17 -7.714 -2.863 8.833 1.00 0.00 H new ATOM 211 N VAL A 18 -8.365 -5.872 6.036 1.00 0.00 N ATOM 212 CA VAL A 18 -8.326 -6.574 4.764 1.00 0.00 C ATOM 213 C VAL A 18 -6.886 -6.607 4.249 1.00 0.00 C ATOM 214 O VAL A 18 -6.076 -5.750 4.602 1.00 0.00 O ATOM 215 CB VAL A 18 -9.299 -5.925 3.778 1.00 0.00 C ATOM 216 CG1 VAL A 18 -9.069 -6.447 2.358 1.00 0.00 C ATOM 217 CG2 VAL A 18 -10.749 -6.145 4.214 1.00 0.00 C ATOM 0 H VAL A 18 -8.724 -4.919 5.986 1.00 0.00 H new ATOM 0 HA VAL A 18 -8.651 -7.607 4.888 1.00 0.00 H new ATOM 0 HB VAL A 18 -9.109 -4.852 3.776 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -9.773 -5.970 1.676 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -8.050 -6.217 2.046 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -9.219 -7.526 2.338 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -11.420 -5.674 3.496 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -10.957 -7.214 4.258 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -10.904 -5.704 5.199 1.00 0.00 H new ATOM 227 N LYS A 19 -6.610 -7.604 3.421 1.00 0.00 N ATOM 228 CA LYS A 19 -5.281 -7.759 2.853 1.00 0.00 C ATOM 229 C LYS A 19 -5.312 -7.359 1.377 1.00 0.00 C ATOM 230 O LYS A 19 -5.982 -8.001 0.570 1.00 0.00 O ATOM 231 CB LYS A 19 -4.758 -9.177 3.095 1.00 0.00 C ATOM 232 CG LYS A 19 -3.900 -9.652 1.921 1.00 0.00 C ATOM 233 CD LYS A 19 -3.240 -10.997 2.233 1.00 0.00 C ATOM 234 CE LYS A 19 -2.499 -11.541 1.010 1.00 0.00 C ATOM 235 NZ LYS A 19 -2.367 -13.012 1.096 1.00 0.00 N ATOM 0 H LYS A 19 -7.284 -8.312 3.130 1.00 0.00 H new ATOM 0 HA LYS A 19 -4.574 -7.094 3.349 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -4.170 -9.200 4.013 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -5.597 -9.859 3.237 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -4.518 -9.745 1.028 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -3.133 -8.909 1.702 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -2.543 -10.880 3.063 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -3.998 -11.713 2.552 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -3.037 -11.271 0.101 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -1.511 -11.085 0.943 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -1.862 -13.365 0.258 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -1.834 -13.263 1.953 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -3.312 -13.444 1.137 1.00 0.00 H new ATOM 249 N ILE A 20 -4.579 -6.299 1.069 1.00 0.00 N ATOM 250 CA ILE A 20 -4.514 -5.805 -0.296 1.00 0.00 C ATOM 251 C ILE A 20 -3.641 -6.743 -1.132 1.00 0.00 C ATOM 252 O ILE A 20 -2.418 -6.609 -1.148 1.00 0.00 O ATOM 253 CB ILE A 20 -4.047 -4.348 -0.317 1.00 0.00 C ATOM 254 CG1 ILE A 20 -4.847 -3.501 0.675 1.00 0.00 C ATOM 255 CG2 ILE A 20 -4.101 -3.775 -1.734 1.00 0.00 C ATOM 256 CD1 ILE A 20 -4.351 -2.054 0.685 1.00 0.00 C ATOM 0 H ILE A 20 -4.025 -5.769 1.741 1.00 0.00 H new ATOM 0 HA ILE A 20 -5.506 -5.804 -0.749 1.00 0.00 H new ATOM 0 HB ILE A 20 -3.005 -4.319 0.002 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -5.904 -3.525 0.410 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -4.760 -3.926 1.675 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -3.764 -2.738 -1.720 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -3.453 -4.359 -2.387 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -5.125 -3.819 -2.105 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -4.936 -1.474 1.398 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -3.300 -2.032 0.974 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -4.462 -1.624 -0.311 1.00 0.00 H new ATOM 268 N SER A 21 -4.303 -7.671 -1.807 1.00 0.00 N ATOM 269 CA SER A 21 -3.602 -8.631 -2.643 1.00 0.00 C ATOM 270 C SER A 21 -3.235 -7.988 -3.982 1.00 0.00 C ATOM 271 O SER A 21 -2.059 -7.913 -4.336 1.00 0.00 O ATOM 272 CB SER A 21 -4.449 -9.884 -2.871 1.00 0.00 C ATOM 273 OG SER A 21 -4.703 -10.585 -1.657 1.00 0.00 O ATOM 0 H SER A 21 -5.317 -7.779 -1.792 1.00 0.00 H new ATOM 0 HA SER A 21 -2.689 -8.931 -2.128 1.00 0.00 H new ATOM 0 HB2 SER A 21 -5.396 -9.603 -3.332 1.00 0.00 H new ATOM 0 HB3 SER A 21 -3.938 -10.545 -3.571 1.00 0.00 H new ATOM 0 HG SER A 21 -5.248 -11.378 -1.845 1.00 0.00 H new ATOM 279 N ASN A 22 -4.262 -7.540 -4.689 1.00 0.00 N ATOM 280 CA ASN A 22 -4.061 -6.906 -5.981 1.00 0.00 C ATOM 281 C ASN A 22 -3.801 -5.412 -5.776 1.00 0.00 C ATOM 282 O ASN A 22 -4.632 -4.706 -5.206 1.00 0.00 O ATOM 283 CB ASN A 22 -5.301 -7.053 -6.865 1.00 0.00 C ATOM 284 CG ASN A 22 -4.938 -7.662 -8.221 1.00 0.00 C ATOM 285 OD1 ASN A 22 -3.782 -7.757 -8.599 1.00 0.00 O ATOM 286 ND2 ASN A 22 -5.988 -8.069 -8.929 1.00 0.00 N ATOM 0 H ASN A 22 -5.236 -7.603 -4.392 1.00 0.00 H new ATOM 0 HA ASN A 22 -3.213 -7.389 -6.466 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -6.036 -7.683 -6.364 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -5.765 -6.078 -7.013 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -5.851 -8.490 -9.848 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -6.930 -7.960 -8.553 1.00 0.00 H new ATOM 293 N TYR A 23 -2.645 -4.975 -6.252 1.00 0.00 N ATOM 294 CA TYR A 23 -2.265 -3.578 -6.129 1.00 0.00 C ATOM 295 C TYR A 23 -1.393 -3.140 -7.307 1.00 0.00 C ATOM 296 O TYR A 23 -0.415 -3.806 -7.641 1.00 0.00 O ATOM 297 CB TYR A 23 -1.448 -3.475 -4.839 1.00 0.00 C ATOM 298 CG TYR A 23 -0.262 -4.440 -4.776 1.00 0.00 C ATOM 299 CD1 TYR A 23 0.928 -4.111 -5.393 1.00 0.00 C ATOM 300 CD2 TYR A 23 -0.382 -5.638 -4.103 1.00 0.00 C ATOM 301 CE1 TYR A 23 2.045 -5.019 -5.333 1.00 0.00 C ATOM 302 CE2 TYR A 23 0.734 -6.546 -4.043 1.00 0.00 C ATOM 303 CZ TYR A 23 1.892 -6.192 -4.662 1.00 0.00 C ATOM 304 OH TYR A 23 2.947 -7.049 -4.606 1.00 0.00 O ATOM 0 H TYR A 23 -1.959 -5.564 -6.724 1.00 0.00 H new ATOM 0 HA TYR A 23 -3.149 -2.940 -6.117 1.00 0.00 H new ATOM 0 HB2 TYR A 23 -1.079 -2.455 -4.735 1.00 0.00 H new ATOM 0 HB3 TYR A 23 -2.104 -3.665 -3.989 1.00 0.00 H new ATOM 0 HD1 TYR A 23 1.022 -3.173 -5.921 1.00 0.00 H new ATOM 0 HD2 TYR A 23 -1.314 -5.895 -3.621 1.00 0.00 H new ATOM 0 HE1 TYR A 23 2.982 -4.774 -5.810 1.00 0.00 H new ATOM 0 HE2 TYR A 23 0.653 -7.487 -3.518 1.00 0.00 H new ATOM 0 HH TYR A 23 2.695 -7.845 -4.094 1.00 0.00 H new ATOM 314 N GLY A 24 -1.780 -2.023 -7.905 1.00 0.00 N ATOM 315 CA GLY A 24 -1.045 -1.488 -9.040 1.00 0.00 C ATOM 316 C GLY A 24 0.171 -0.685 -8.576 1.00 0.00 C ATOM 317 O GLY A 24 0.048 0.208 -7.739 1.00 0.00 O ATOM 0 H GLY A 24 -2.593 -1.473 -7.626 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -0.721 -2.304 -9.686 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -1.700 -0.852 -9.635 1.00 0.00 H new ATOM 321 N TRP A 25 1.319 -1.030 -9.141 1.00 0.00 N ATOM 322 CA TRP A 25 2.557 -0.352 -8.796 1.00 0.00 C ATOM 323 C TRP A 25 3.263 0.034 -10.097 1.00 0.00 C ATOM 324 O TRP A 25 2.891 -0.434 -11.172 1.00 0.00 O ATOM 325 CB TRP A 25 3.422 -1.222 -7.881 1.00 0.00 C ATOM 326 CG TRP A 25 4.049 -2.429 -8.582 1.00 0.00 C ATOM 327 CD1 TRP A 25 3.532 -3.656 -8.732 1.00 0.00 C ATOM 328 CD2 TRP A 25 5.340 -2.475 -9.224 1.00 0.00 C ATOM 329 NE1 TRP A 25 4.392 -4.486 -9.422 1.00 0.00 N ATOM 330 CE2 TRP A 25 5.527 -3.745 -9.731 1.00 0.00 C ATOM 331 CE3 TRP A 25 6.319 -1.476 -9.373 1.00 0.00 C ATOM 332 CZ2 TRP A 25 6.682 -4.134 -10.420 1.00 0.00 C ATOM 333 CZ3 TRP A 25 7.467 -1.881 -10.063 1.00 0.00 C ATOM 334 CH2 TRP A 25 7.670 -3.155 -10.580 1.00 0.00 C ATOM 0 H TRP A 25 1.418 -1.770 -9.836 1.00 0.00 H new ATOM 0 HA TRP A 25 2.354 0.556 -8.228 1.00 0.00 H new ATOM 0 HB2 TRP A 25 4.216 -0.608 -7.457 1.00 0.00 H new ATOM 0 HB3 TRP A 25 2.813 -1.574 -7.049 1.00 0.00 H new ATOM 0 HD1 TRP A 25 2.564 -3.958 -8.360 1.00 0.00 H new ATOM 0 HE1 TRP A 25 4.225 -5.463 -9.661 1.00 0.00 H new ATOM 0 HE3 TRP A 25 6.194 -0.476 -8.986 1.00 0.00 H new ATOM 0 HZ2 TRP A 25 6.804 -5.135 -10.807 1.00 0.00 H new ATOM 0 HZ3 TRP A 25 8.251 -1.152 -10.204 1.00 0.00 H new ATOM 0 HH2 TRP A 25 8.586 -3.389 -11.103 1.00 0.00 H new ATOM 345 N ASP A 26 4.269 0.884 -9.957 1.00 0.00 N ATOM 346 CA ASP A 26 5.031 1.339 -11.108 1.00 0.00 C ATOM 347 C ASP A 26 6.422 1.781 -10.651 1.00 0.00 C ATOM 348 O ASP A 26 6.712 1.793 -9.456 1.00 0.00 O ATOM 349 CB ASP A 26 4.352 2.533 -11.781 1.00 0.00 C ATOM 350 CG ASP A 26 4.864 2.862 -13.184 1.00 0.00 C ATOM 351 OD1 ASP A 26 4.780 1.959 -14.045 1.00 0.00 O ATOM 352 OD2 ASP A 26 5.328 4.008 -13.365 1.00 0.00 O ATOM 0 H ASP A 26 4.575 1.270 -9.064 1.00 0.00 H new ATOM 0 HA ASP A 26 5.095 0.514 -11.818 1.00 0.00 H new ATOM 0 HB2 ASP A 26 3.281 2.338 -11.838 1.00 0.00 H new ATOM 0 HB3 ASP A 26 4.483 3.411 -11.148 1.00 0.00 H new ATOM 357 N GLN A 27 7.246 2.135 -11.627 1.00 0.00 N ATOM 358 CA GLN A 27 8.600 2.577 -11.340 1.00 0.00 C ATOM 359 C GLN A 27 9.124 3.455 -12.478 1.00 0.00 C ATOM 360 O GLN A 27 8.809 3.220 -13.644 1.00 0.00 O ATOM 361 CB GLN A 27 9.526 1.384 -11.096 1.00 0.00 C ATOM 362 CG GLN A 27 9.700 0.556 -12.371 1.00 0.00 C ATOM 363 CD GLN A 27 8.611 -0.512 -12.484 1.00 0.00 C ATOM 364 OE1 GLN A 27 7.449 -0.285 -12.188 1.00 0.00 O ATOM 365 NE2 GLN A 27 9.049 -1.687 -12.928 1.00 0.00 N ATOM 0 H GLN A 27 7.002 2.125 -12.617 1.00 0.00 H new ATOM 0 HA GLN A 27 8.581 3.173 -10.427 1.00 0.00 H new ATOM 0 HB2 GLN A 27 10.498 1.738 -10.752 1.00 0.00 H new ATOM 0 HB3 GLN A 27 9.117 0.757 -10.304 1.00 0.00 H new ATOM 0 HG2 GLN A 27 9.664 1.211 -13.242 1.00 0.00 H new ATOM 0 HG3 GLN A 27 10.681 0.081 -12.369 1.00 0.00 H new ATOM 0 HE21 GLN A 27 10.035 -1.810 -13.158 1.00 0.00 H new ATOM 0 HE22 GLN A 27 8.399 -2.465 -13.039 1.00 0.00 H new ATOM 374 N SER A 28 9.915 4.448 -12.100 1.00 0.00 N ATOM 375 CA SER A 28 10.486 5.362 -13.075 1.00 0.00 C ATOM 376 C SER A 28 11.932 5.692 -12.699 1.00 0.00 C ATOM 377 O SER A 28 12.276 5.734 -11.519 1.00 0.00 O ATOM 378 CB SER A 28 9.658 6.645 -13.177 1.00 0.00 C ATOM 379 OG SER A 28 8.853 6.668 -14.352 1.00 0.00 O ATOM 0 H SER A 28 10.174 4.640 -11.132 1.00 0.00 H new ATOM 0 HA SER A 28 10.473 4.874 -14.050 1.00 0.00 H new ATOM 0 HB2 SER A 28 9.020 6.735 -12.298 1.00 0.00 H new ATOM 0 HB3 SER A 28 10.324 7.508 -13.177 1.00 0.00 H new ATOM 0 HG SER A 28 8.339 7.502 -14.380 1.00 0.00 H new ATOM 385 N ASP A 29 12.740 5.917 -13.725 1.00 0.00 N ATOM 386 CA ASP A 29 14.141 6.241 -13.517 1.00 0.00 C ATOM 387 C ASP A 29 14.246 7.568 -12.762 1.00 0.00 C ATOM 388 O ASP A 29 14.530 8.605 -13.358 1.00 0.00 O ATOM 389 CB ASP A 29 14.874 6.397 -14.850 1.00 0.00 C ATOM 390 CG ASP A 29 14.779 5.190 -15.785 1.00 0.00 C ATOM 391 OD1 ASP A 29 15.556 4.236 -15.562 1.00 0.00 O ATOM 392 OD2 ASP A 29 13.931 5.248 -16.703 1.00 0.00 O ATOM 0 H ASP A 29 12.451 5.881 -14.703 1.00 0.00 H new ATOM 0 HA ASP A 29 14.594 5.429 -12.949 1.00 0.00 H new ATOM 0 HB2 ASP A 29 14.475 7.270 -15.367 1.00 0.00 H new ATOM 0 HB3 ASP A 29 15.926 6.599 -14.648 1.00 0.00 H new ATOM 397 N LYS A 30 14.010 7.491 -11.460 1.00 0.00 N ATOM 398 CA LYS A 30 14.075 8.673 -10.617 1.00 0.00 C ATOM 399 C LYS A 30 13.412 8.372 -9.272 1.00 0.00 C ATOM 400 O LYS A 30 13.999 8.612 -8.218 1.00 0.00 O ATOM 401 CB LYS A 30 13.477 9.881 -11.341 1.00 0.00 C ATOM 402 CG LYS A 30 14.571 10.860 -11.771 1.00 0.00 C ATOM 403 CD LYS A 30 14.005 11.948 -12.687 1.00 0.00 C ATOM 404 CE LYS A 30 14.808 12.042 -13.986 1.00 0.00 C ATOM 405 NZ LYS A 30 14.961 13.455 -14.399 1.00 0.00 N ATOM 0 H LYS A 30 13.774 6.629 -10.969 1.00 0.00 H new ATOM 0 HA LYS A 30 15.112 8.936 -10.410 1.00 0.00 H new ATOM 0 HB2 LYS A 30 12.920 9.546 -12.216 1.00 0.00 H new ATOM 0 HB3 LYS A 30 12.768 10.387 -10.686 1.00 0.00 H new ATOM 0 HG2 LYS A 30 15.020 11.319 -10.890 1.00 0.00 H new ATOM 0 HG3 LYS A 30 15.364 10.320 -12.289 1.00 0.00 H new ATOM 0 HD2 LYS A 30 12.962 11.730 -12.915 1.00 0.00 H new ATOM 0 HD3 LYS A 30 14.025 12.909 -12.172 1.00 0.00 H new ATOM 0 HE2 LYS A 30 15.790 11.589 -13.847 1.00 0.00 H new ATOM 0 HE3 LYS A 30 14.306 11.479 -14.773 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 15.508 13.501 -15.282 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 14.022 13.876 -14.551 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 15.460 13.982 -13.654 1.00 0.00 H new ATOM 419 N PHE A 31 12.196 7.851 -9.351 1.00 0.00 N ATOM 420 CA PHE A 31 11.446 7.515 -8.153 1.00 0.00 C ATOM 421 C PHE A 31 10.399 6.438 -8.446 1.00 0.00 C ATOM 422 O PHE A 31 9.983 6.266 -9.590 1.00 0.00 O ATOM 423 CB PHE A 31 10.735 8.790 -7.698 1.00 0.00 C ATOM 424 CG PHE A 31 11.680 9.952 -7.386 1.00 0.00 C ATOM 425 CD1 PHE A 31 12.607 9.829 -6.399 1.00 0.00 C ATOM 426 CD2 PHE A 31 11.592 11.109 -8.097 1.00 0.00 C ATOM 427 CE1 PHE A 31 13.484 10.908 -6.110 1.00 0.00 C ATOM 428 CE2 PHE A 31 12.469 12.188 -7.808 1.00 0.00 C ATOM 429 CZ PHE A 31 13.397 12.064 -6.821 1.00 0.00 C ATOM 0 H PHE A 31 11.712 7.653 -10.227 1.00 0.00 H new ATOM 0 HA PHE A 31 12.120 7.130 -7.388 1.00 0.00 H new ATOM 0 HB2 PHE A 31 10.037 9.101 -8.475 1.00 0.00 H new ATOM 0 HB3 PHE A 31 10.144 8.567 -6.810 1.00 0.00 H new ATOM 0 HD1 PHE A 31 12.676 8.911 -5.835 1.00 0.00 H new ATOM 0 HD2 PHE A 31 10.855 11.207 -8.881 1.00 0.00 H new ATOM 0 HE1 PHE A 31 14.220 10.811 -5.326 1.00 0.00 H new ATOM 0 HE2 PHE A 31 12.399 13.107 -8.372 1.00 0.00 H new ATOM 0 HZ PHE A 31 14.065 12.884 -6.602 1.00 0.00 H new ATOM 439 N VAL A 32 10.004 5.740 -7.391 1.00 0.00 N ATOM 440 CA VAL A 32 9.014 4.685 -7.520 1.00 0.00 C ATOM 441 C VAL A 32 7.727 5.109 -6.809 1.00 0.00 C ATOM 442 O VAL A 32 7.772 5.833 -5.816 1.00 0.00 O ATOM 443 CB VAL A 32 9.582 3.366 -6.992 1.00 0.00 C ATOM 444 CG1 VAL A 32 8.461 2.376 -6.669 1.00 0.00 C ATOM 445 CG2 VAL A 32 10.579 2.763 -7.983 1.00 0.00 C ATOM 0 H VAL A 32 10.352 5.885 -6.443 1.00 0.00 H new ATOM 0 HA VAL A 32 8.767 4.520 -8.569 1.00 0.00 H new ATOM 0 HB VAL A 32 10.117 3.578 -6.066 1.00 0.00 H new ATOM 0 HG11 VAL A 32 8.892 1.447 -6.296 1.00 0.00 H new ATOM 0 HG12 VAL A 32 7.806 2.803 -5.909 1.00 0.00 H new ATOM 0 HG13 VAL A 32 7.885 2.172 -7.571 1.00 0.00 H new ATOM 0 HG21 VAL A 32 10.968 1.826 -7.584 1.00 0.00 H new ATOM 0 HG22 VAL A 32 10.078 2.573 -8.932 1.00 0.00 H new ATOM 0 HG23 VAL A 32 11.402 3.460 -8.140 1.00 0.00 H new ATOM 455 N LYS A 33 6.610 4.639 -7.345 1.00 0.00 N ATOM 456 CA LYS A 33 5.313 4.960 -6.774 1.00 0.00 C ATOM 457 C LYS A 33 4.367 3.773 -6.967 1.00 0.00 C ATOM 458 O LYS A 33 4.508 3.012 -7.924 1.00 0.00 O ATOM 459 CB LYS A 33 4.781 6.271 -7.357 1.00 0.00 C ATOM 460 CG LYS A 33 3.289 6.437 -7.061 1.00 0.00 C ATOM 461 CD LYS A 33 2.875 7.908 -7.141 1.00 0.00 C ATOM 462 CE LYS A 33 3.681 8.647 -8.211 1.00 0.00 C ATOM 463 NZ LYS A 33 3.061 9.957 -8.514 1.00 0.00 N ATOM 0 H LYS A 33 6.576 4.038 -8.169 1.00 0.00 H new ATOM 0 HA LYS A 33 5.400 5.127 -5.700 1.00 0.00 H new ATOM 0 HB2 LYS A 33 5.334 7.111 -6.937 1.00 0.00 H new ATOM 0 HB3 LYS A 33 4.946 6.287 -8.434 1.00 0.00 H new ATOM 0 HG2 LYS A 33 2.706 5.852 -7.773 1.00 0.00 H new ATOM 0 HG3 LYS A 33 3.066 6.046 -6.068 1.00 0.00 H new ATOM 0 HD2 LYS A 33 1.811 7.978 -7.369 1.00 0.00 H new ATOM 0 HD3 LYS A 33 3.026 8.385 -6.173 1.00 0.00 H new ATOM 0 HE2 LYS A 33 4.705 8.793 -7.867 1.00 0.00 H new ATOM 0 HE3 LYS A 33 3.732 8.044 -9.117 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 3.759 10.572 -8.979 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 2.247 9.818 -9.146 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 2.741 10.402 -7.630 1.00 0.00 H new ATOM 477 N ILE A 34 3.425 3.652 -6.044 1.00 0.00 N ATOM 478 CA ILE A 34 2.457 2.570 -6.100 1.00 0.00 C ATOM 479 C ILE A 34 1.043 3.156 -6.092 1.00 0.00 C ATOM 480 O ILE A 34 0.808 4.211 -5.505 1.00 0.00 O ATOM 481 CB ILE A 34 2.711 1.563 -4.977 1.00 0.00 C ATOM 482 CG1 ILE A 34 4.057 0.860 -5.165 1.00 0.00 C ATOM 483 CG2 ILE A 34 1.556 0.567 -4.861 1.00 0.00 C ATOM 484 CD1 ILE A 34 5.089 1.373 -4.158 1.00 0.00 C ATOM 0 H ILE A 34 3.311 4.286 -5.253 1.00 0.00 H new ATOM 0 HA ILE A 34 2.566 2.010 -7.029 1.00 0.00 H new ATOM 0 HB ILE A 34 2.761 2.109 -4.035 1.00 0.00 H new ATOM 0 HG12 ILE A 34 3.929 -0.216 -5.044 1.00 0.00 H new ATOM 0 HG13 ILE A 34 4.420 1.026 -6.179 1.00 0.00 H new ATOM 0 HG21 ILE A 34 1.762 -0.137 -4.055 1.00 0.00 H new ATOM 0 HG22 ILE A 34 0.632 1.104 -4.646 1.00 0.00 H new ATOM 0 HG23 ILE A 34 1.449 0.023 -5.800 1.00 0.00 H new ATOM 0 HD11 ILE A 34 6.037 0.857 -4.313 1.00 0.00 H new ATOM 0 HD12 ILE A 34 5.232 2.445 -4.298 1.00 0.00 H new ATOM 0 HD13 ILE A 34 4.734 1.183 -3.145 1.00 0.00 H new ATOM 496 N TYR A 35 0.139 2.446 -6.751 1.00 0.00 N ATOM 497 CA TYR A 35 -1.245 2.882 -6.827 1.00 0.00 C ATOM 498 C TYR A 35 -2.201 1.731 -6.509 1.00 0.00 C ATOM 499 O TYR A 35 -2.332 0.794 -7.294 1.00 0.00 O ATOM 500 CB TYR A 35 -1.467 3.330 -8.273 1.00 0.00 C ATOM 501 CG TYR A 35 -0.286 4.090 -8.878 1.00 0.00 C ATOM 502 CD1 TYR A 35 0.905 3.436 -9.120 1.00 0.00 C ATOM 503 CD2 TYR A 35 -0.411 5.431 -9.181 1.00 0.00 C ATOM 504 CE1 TYR A 35 2.017 4.152 -9.690 1.00 0.00 C ATOM 505 CE2 TYR A 35 0.702 6.147 -9.751 1.00 0.00 C ATOM 506 CZ TYR A 35 1.860 5.472 -9.977 1.00 0.00 C ATOM 507 OH TYR A 35 2.911 6.148 -10.514 1.00 0.00 O ATOM 0 H TYR A 35 0.338 1.572 -7.237 1.00 0.00 H new ATOM 0 HA TYR A 35 -1.436 3.679 -6.108 1.00 0.00 H new ATOM 0 HB2 TYR A 35 -1.674 2.453 -8.886 1.00 0.00 H new ATOM 0 HB3 TYR A 35 -2.353 3.964 -8.314 1.00 0.00 H new ATOM 0 HD1 TYR A 35 1.003 2.387 -8.882 1.00 0.00 H new ATOM 0 HD2 TYR A 35 -1.343 5.943 -8.991 1.00 0.00 H new ATOM 0 HE1 TYR A 35 2.954 3.652 -9.885 1.00 0.00 H new ATOM 0 HE2 TYR A 35 0.618 7.196 -9.993 1.00 0.00 H new ATOM 0 HH TYR A 35 2.597 6.999 -10.886 1.00 0.00 H new ATOM 517 N ILE A 36 -2.844 1.840 -5.355 1.00 0.00 N ATOM 518 CA ILE A 36 -3.785 0.820 -4.924 1.00 0.00 C ATOM 519 C ILE A 36 -5.207 1.376 -5.006 1.00 0.00 C ATOM 520 O ILE A 36 -5.418 2.578 -4.855 1.00 0.00 O ATOM 521 CB ILE A 36 -3.408 0.297 -3.536 1.00 0.00 C ATOM 522 CG1 ILE A 36 -2.023 -0.352 -3.552 1.00 0.00 C ATOM 523 CG2 ILE A 36 -4.480 -0.653 -2.999 1.00 0.00 C ATOM 524 CD1 ILE A 36 -1.032 0.450 -2.706 1.00 0.00 C ATOM 0 H ILE A 36 -2.732 2.619 -4.706 1.00 0.00 H new ATOM 0 HA ILE A 36 -3.742 -0.043 -5.588 1.00 0.00 H new ATOM 0 HB ILE A 36 -3.358 1.145 -2.853 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -2.091 -1.371 -3.171 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -1.660 -0.419 -4.578 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -4.188 -1.010 -2.012 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -5.431 -0.125 -2.927 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -4.586 -1.501 -3.675 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -0.055 -0.033 -2.734 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -0.949 1.461 -3.104 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -1.385 0.494 -1.676 1.00 0.00 H new ATOM 536 N THR A 37 -6.148 0.474 -5.247 1.00 0.00 N ATOM 537 CA THR A 37 -7.545 0.860 -5.351 1.00 0.00 C ATOM 538 C THR A 37 -8.246 0.698 -4.001 1.00 0.00 C ATOM 539 O THR A 37 -8.483 -0.422 -3.551 1.00 0.00 O ATOM 540 CB THR A 37 -8.182 0.032 -6.469 1.00 0.00 C ATOM 541 OG1 THR A 37 -7.782 0.697 -7.664 1.00 0.00 O ATOM 542 CG2 THR A 37 -9.708 0.135 -6.477 1.00 0.00 C ATOM 0 H THR A 37 -5.970 -0.522 -5.373 1.00 0.00 H new ATOM 0 HA THR A 37 -7.645 1.914 -5.609 1.00 0.00 H new ATOM 0 HB THR A 37 -7.890 -1.012 -6.359 1.00 0.00 H new ATOM 0 HG1 THR A 37 -8.150 0.225 -8.440 1.00 0.00 H new ATOM 0 HG21 THR A 37 -10.109 -0.471 -7.289 1.00 0.00 H new ATOM 0 HG22 THR A 37 -10.102 -0.225 -5.527 1.00 0.00 H new ATOM 0 HG23 THR A 37 -10.002 1.175 -6.621 1.00 0.00 H new ATOM 550 N LEU A 38 -8.557 1.832 -3.391 1.00 0.00 N ATOM 551 CA LEU A 38 -9.225 1.830 -2.101 1.00 0.00 C ATOM 552 C LEU A 38 -10.244 2.971 -2.058 1.00 0.00 C ATOM 553 O LEU A 38 -9.875 4.130 -1.875 1.00 0.00 O ATOM 554 CB LEU A 38 -8.200 1.877 -0.967 1.00 0.00 C ATOM 555 CG LEU A 38 -8.468 0.947 0.218 1.00 0.00 C ATOM 556 CD1 LEU A 38 -9.970 0.757 0.437 1.00 0.00 C ATOM 557 CD2 LEU A 38 -7.741 -0.388 0.043 1.00 0.00 C ATOM 0 H LEU A 38 -8.358 2.759 -3.767 1.00 0.00 H new ATOM 0 HA LEU A 38 -9.779 0.902 -1.960 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -7.220 1.635 -1.379 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -8.145 2.900 -0.595 1.00 0.00 H new ATOM 0 HG LEU A 38 -8.068 1.416 1.117 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -10.133 0.092 1.285 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -10.433 1.723 0.639 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -10.416 0.321 -0.457 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -7.948 -1.030 0.899 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -8.088 -0.875 -0.868 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -6.668 -0.211 -0.026 1.00 0.00 H new ATOM 569 N THR A 39 -11.505 2.603 -2.228 1.00 0.00 N ATOM 570 CA THR A 39 -12.579 3.581 -2.210 1.00 0.00 C ATOM 571 C THR A 39 -12.893 4.002 -0.774 1.00 0.00 C ATOM 572 O THR A 39 -13.309 3.180 0.041 1.00 0.00 O ATOM 573 CB THR A 39 -13.779 2.978 -2.943 1.00 0.00 C ATOM 574 OG1 THR A 39 -13.623 3.421 -4.289 1.00 0.00 O ATOM 575 CG2 THR A 39 -15.107 3.596 -2.499 1.00 0.00 C ATOM 0 H THR A 39 -11.807 1.641 -2.379 1.00 0.00 H new ATOM 0 HA THR A 39 -12.290 4.496 -2.727 1.00 0.00 H new ATOM 0 HB THR A 39 -13.804 1.902 -2.773 1.00 0.00 H new ATOM 0 HG1 THR A 39 -13.089 2.768 -4.789 1.00 0.00 H new ATOM 0 HG21 THR A 39 -15.926 3.133 -3.050 1.00 0.00 H new ATOM 0 HG22 THR A 39 -15.247 3.429 -1.431 1.00 0.00 H new ATOM 0 HG23 THR A 39 -15.095 4.667 -2.700 1.00 0.00 H new ATOM 583 N GLY A 40 -12.682 5.283 -0.507 1.00 0.00 N ATOM 584 CA GLY A 40 -12.938 5.823 0.818 1.00 0.00 C ATOM 585 C GLY A 40 -11.640 6.294 1.477 1.00 0.00 C ATOM 586 O GLY A 40 -11.664 7.145 2.365 1.00 0.00 O ATOM 0 H GLY A 40 -12.337 5.962 -1.185 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -13.637 6.656 0.746 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -13.411 5.063 1.440 1.00 0.00 H new ATOM 590 N VAL A 41 -10.538 5.720 1.018 1.00 0.00 N ATOM 591 CA VAL A 41 -9.233 6.071 1.552 1.00 0.00 C ATOM 592 C VAL A 41 -9.016 7.579 1.408 1.00 0.00 C ATOM 593 O VAL A 41 -8.220 8.167 2.138 1.00 0.00 O ATOM 594 CB VAL A 41 -8.146 5.242 0.864 1.00 0.00 C ATOM 595 CG1 VAL A 41 -7.978 5.663 -0.597 1.00 0.00 C ATOM 596 CG2 VAL A 41 -6.819 5.342 1.620 1.00 0.00 C ATOM 0 H VAL A 41 -10.522 5.014 0.282 1.00 0.00 H new ATOM 0 HA VAL A 41 -9.179 5.835 2.615 1.00 0.00 H new ATOM 0 HB VAL A 41 -8.461 4.199 0.878 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -7.200 5.058 -1.063 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -8.918 5.516 -1.128 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -7.696 6.715 -0.642 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -6.064 4.744 1.110 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -6.496 6.383 1.653 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -6.950 4.971 2.636 1.00 0.00 H new ATOM 606 N HIS A 42 -9.737 8.160 0.461 1.00 0.00 N ATOM 607 CA HIS A 42 -9.634 9.588 0.212 1.00 0.00 C ATOM 608 C HIS A 42 -10.599 10.341 1.130 1.00 0.00 C ATOM 609 O HIS A 42 -10.665 11.568 1.095 1.00 0.00 O ATOM 610 CB HIS A 42 -9.860 9.899 -1.269 1.00 0.00 C ATOM 611 CG HIS A 42 -11.304 9.809 -1.701 1.00 0.00 C ATOM 612 ND1 HIS A 42 -11.942 8.603 -1.937 1.00 0.00 N ATOM 613 CD2 HIS A 42 -12.227 10.785 -1.937 1.00 0.00 C ATOM 614 CE1 HIS A 42 -13.192 8.855 -2.298 1.00 0.00 C ATOM 615 NE2 HIS A 42 -13.366 10.208 -2.299 1.00 0.00 N ATOM 0 H HIS A 42 -10.395 7.668 -0.143 1.00 0.00 H new ATOM 0 HA HIS A 42 -8.625 9.929 0.445 1.00 0.00 H new ATOM 0 HB2 HIS A 42 -9.490 10.902 -1.480 1.00 0.00 H new ATOM 0 HB3 HIS A 42 -9.268 9.208 -1.869 1.00 0.00 H new ATOM 0 HD2 HIS A 42 -12.059 11.848 -1.845 1.00 0.00 H new ATOM 0 HE1 HIS A 42 -13.941 8.118 -2.548 1.00 0.00 H new ATOM 0 HE2 HIS A 42 -14.229 10.696 -2.538 1.00 0.00 H new ATOM 623 N GLN A 43 -11.323 9.573 1.931 1.00 0.00 N ATOM 624 CA GLN A 43 -12.281 10.151 2.857 1.00 0.00 C ATOM 625 C GLN A 43 -11.788 9.996 4.298 1.00 0.00 C ATOM 626 O GLN A 43 -12.077 10.834 5.150 1.00 0.00 O ATOM 627 CB GLN A 43 -13.664 9.522 2.680 1.00 0.00 C ATOM 628 CG GLN A 43 -14.292 9.941 1.350 1.00 0.00 C ATOM 629 CD GLN A 43 -15.804 10.126 1.490 1.00 0.00 C ATOM 630 OE1 GLN A 43 -16.291 10.848 2.345 1.00 0.00 O ATOM 631 NE2 GLN A 43 -16.518 9.433 0.607 1.00 0.00 N ATOM 0 H GLN A 43 -11.265 8.555 1.958 1.00 0.00 H new ATOM 0 HA GLN A 43 -12.372 11.215 2.637 1.00 0.00 H new ATOM 0 HB2 GLN A 43 -13.581 8.436 2.721 1.00 0.00 H new ATOM 0 HB3 GLN A 43 -14.312 9.823 3.503 1.00 0.00 H new ATOM 0 HG2 GLN A 43 -13.839 10.871 1.007 1.00 0.00 H new ATOM 0 HG3 GLN A 43 -14.083 9.186 0.592 1.00 0.00 H new ATOM 0 HE21 GLN A 43 -16.047 8.847 -0.083 1.00 0.00 H new ATOM 0 HE22 GLN A 43 -17.536 9.487 0.620 1.00 0.00 H new ATOM 640 N VAL A 44 -11.053 8.917 4.524 1.00 0.00 N ATOM 641 CA VAL A 44 -10.517 8.641 5.846 1.00 0.00 C ATOM 642 C VAL A 44 -9.386 9.627 6.150 1.00 0.00 C ATOM 643 O VAL A 44 -8.745 10.142 5.235 1.00 0.00 O ATOM 644 CB VAL A 44 -10.076 7.179 5.937 1.00 0.00 C ATOM 645 CG1 VAL A 44 -11.242 6.235 5.638 1.00 0.00 C ATOM 646 CG2 VAL A 44 -8.894 6.904 5.004 1.00 0.00 C ATOM 0 H VAL A 44 -10.816 8.224 3.814 1.00 0.00 H new ATOM 0 HA VAL A 44 -11.285 8.783 6.606 1.00 0.00 H new ATOM 0 HB VAL A 44 -9.747 6.991 6.959 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -10.901 5.202 5.709 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -12.041 6.404 6.359 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -11.615 6.425 4.632 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -8.600 5.858 5.088 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -9.185 7.118 3.976 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -8.054 7.540 5.283 1.00 0.00 H new ATOM 656 N PRO A 45 -9.171 9.866 7.471 1.00 0.00 N ATOM 657 CA PRO A 45 -8.129 10.780 7.906 1.00 0.00 C ATOM 658 C PRO A 45 -6.746 10.144 7.761 1.00 0.00 C ATOM 659 O PRO A 45 -6.632 8.966 7.424 1.00 0.00 O ATOM 660 CB PRO A 45 -8.479 11.118 9.347 1.00 0.00 C ATOM 661 CG PRO A 45 -9.432 10.028 9.811 1.00 0.00 C ATOM 662 CD PRO A 45 -9.912 9.274 8.582 1.00 0.00 C ATOM 0 HA PRO A 45 -8.082 11.684 7.298 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -7.585 11.146 9.970 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -8.946 12.100 9.415 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -8.930 9.351 10.502 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -10.276 10.462 10.347 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -9.710 8.206 8.668 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -10.988 9.385 8.444 1.00 0.00 H new ATOM 670 N THR A 46 -5.728 10.951 8.022 1.00 0.00 N ATOM 671 CA THR A 46 -4.356 10.482 7.924 1.00 0.00 C ATOM 672 C THR A 46 -3.999 9.623 9.139 1.00 0.00 C ATOM 673 O THR A 46 -2.930 9.015 9.181 1.00 0.00 O ATOM 674 CB THR A 46 -3.450 11.703 7.756 1.00 0.00 C ATOM 675 OG1 THR A 46 -2.141 11.151 7.644 1.00 0.00 O ATOM 676 CG2 THR A 46 -3.385 12.563 9.020 1.00 0.00 C ATOM 0 H THR A 46 -5.826 11.927 8.301 1.00 0.00 H new ATOM 0 HA THR A 46 -4.219 9.836 7.057 1.00 0.00 H new ATOM 0 HB THR A 46 -3.808 12.309 6.923 1.00 0.00 H new ATOM 0 HG1 THR A 46 -2.125 10.261 8.053 1.00 0.00 H new ATOM 0 HG21 THR A 46 -2.729 13.416 8.846 1.00 0.00 H new ATOM 0 HG22 THR A 46 -4.385 12.919 9.270 1.00 0.00 H new ATOM 0 HG23 THR A 46 -2.995 11.968 9.846 1.00 0.00 H new ATOM 684 N GLU A 47 -4.914 9.599 10.097 1.00 0.00 N ATOM 685 CA GLU A 47 -4.709 8.824 11.308 1.00 0.00 C ATOM 686 C GLU A 47 -5.049 7.353 11.062 1.00 0.00 C ATOM 687 O GLU A 47 -4.440 6.463 11.654 1.00 0.00 O ATOM 688 CB GLU A 47 -5.531 9.390 12.467 1.00 0.00 C ATOM 689 CG GLU A 47 -7.002 8.986 12.345 1.00 0.00 C ATOM 690 CD GLU A 47 -7.922 10.118 12.806 1.00 0.00 C ATOM 691 OE1 GLU A 47 -7.537 11.287 12.587 1.00 0.00 O ATOM 692 OE2 GLU A 47 -8.990 9.789 13.366 1.00 0.00 O ATOM 0 H GLU A 47 -5.799 10.104 10.059 1.00 0.00 H new ATOM 0 HA GLU A 47 -3.657 8.892 11.585 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -5.128 9.029 13.413 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -5.449 10.477 12.479 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -7.227 8.728 11.310 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -7.189 8.094 12.944 1.00 0.00 H new ATOM 699 N ASN A 48 -6.021 7.142 10.187 1.00 0.00 N ATOM 700 CA ASN A 48 -6.450 5.794 9.855 1.00 0.00 C ATOM 701 C ASN A 48 -5.482 5.192 8.834 1.00 0.00 C ATOM 702 O ASN A 48 -5.504 3.988 8.588 1.00 0.00 O ATOM 703 CB ASN A 48 -7.849 5.798 9.234 1.00 0.00 C ATOM 704 CG ASN A 48 -8.905 6.206 10.263 1.00 0.00 C ATOM 705 OD1 ASN A 48 -8.611 6.490 11.413 1.00 0.00 O ATOM 706 ND2 ASN A 48 -10.147 6.218 9.789 1.00 0.00 N ATOM 0 H ASN A 48 -6.524 7.882 9.698 1.00 0.00 H new ATOM 0 HA ASN A 48 -6.465 5.209 10.775 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -7.874 6.487 8.390 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -8.080 4.807 8.844 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -10.923 6.476 10.399 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -10.324 5.969 8.816 1.00 0.00 H new ATOM 713 N VAL A 49 -4.655 6.059 8.269 1.00 0.00 N ATOM 714 CA VAL A 49 -3.680 5.628 7.281 1.00 0.00 C ATOM 715 C VAL A 49 -2.275 5.729 7.879 1.00 0.00 C ATOM 716 O VAL A 49 -1.730 6.824 8.010 1.00 0.00 O ATOM 717 CB VAL A 49 -3.843 6.442 5.996 1.00 0.00 C ATOM 718 CG1 VAL A 49 -3.008 5.846 4.860 1.00 0.00 C ATOM 719 CG2 VAL A 49 -5.316 6.548 5.596 1.00 0.00 C ATOM 0 H VAL A 49 -4.640 7.058 8.476 1.00 0.00 H new ATOM 0 HA VAL A 49 -3.844 4.585 7.012 1.00 0.00 H new ATOM 0 HB VAL A 49 -3.476 7.450 6.190 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -3.142 6.443 3.958 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -1.955 5.847 5.143 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -3.331 4.823 4.669 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -5.403 7.132 4.680 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -5.721 5.550 5.430 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -5.875 7.038 6.393 1.00 0.00 H new ATOM 729 N GLN A 50 -1.730 4.572 8.225 1.00 0.00 N ATOM 730 CA GLN A 50 -0.399 4.517 8.806 1.00 0.00 C ATOM 731 C GLN A 50 0.554 3.762 7.877 1.00 0.00 C ATOM 732 O GLN A 50 0.377 2.568 7.637 1.00 0.00 O ATOM 733 CB GLN A 50 -0.433 3.877 10.195 1.00 0.00 C ATOM 734 CG GLN A 50 -0.549 4.942 11.287 1.00 0.00 C ATOM 735 CD GLN A 50 -1.006 4.324 12.610 1.00 0.00 C ATOM 736 OE1 GLN A 50 -0.596 3.241 12.993 1.00 0.00 O ATOM 737 NE2 GLN A 50 -1.877 5.070 13.283 1.00 0.00 N ATOM 0 H GLN A 50 -2.185 3.666 8.114 1.00 0.00 H new ATOM 0 HA GLN A 50 -0.031 5.537 8.921 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -1.276 3.189 10.262 1.00 0.00 H new ATOM 0 HB3 GLN A 50 0.471 3.289 10.350 1.00 0.00 H new ATOM 0 HG2 GLN A 50 0.414 5.433 11.425 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -1.257 5.710 10.977 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -2.179 5.968 12.905 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -2.243 4.744 14.178 1.00 0.00 H new ATOM 746 N VAL A 51 1.544 4.488 7.380 1.00 0.00 N ATOM 747 CA VAL A 51 2.526 3.902 6.483 1.00 0.00 C ATOM 748 C VAL A 51 3.929 4.323 6.924 1.00 0.00 C ATOM 749 O VAL A 51 4.146 5.475 7.297 1.00 0.00 O ATOM 750 CB VAL A 51 2.211 4.290 5.037 1.00 0.00 C ATOM 751 CG1 VAL A 51 1.587 5.685 4.968 1.00 0.00 C ATOM 752 CG2 VAL A 51 3.463 4.205 4.162 1.00 0.00 C ATOM 0 H VAL A 51 1.688 5.478 7.581 1.00 0.00 H new ATOM 0 HA VAL A 51 2.484 2.814 6.529 1.00 0.00 H new ATOM 0 HB VAL A 51 1.483 3.578 4.649 1.00 0.00 H new ATOM 0 HG11 VAL A 51 1.373 5.937 3.929 1.00 0.00 H new ATOM 0 HG12 VAL A 51 0.661 5.698 5.543 1.00 0.00 H new ATOM 0 HG13 VAL A 51 2.282 6.415 5.382 1.00 0.00 H new ATOM 0 HG21 VAL A 51 3.212 4.486 3.139 1.00 0.00 H new ATOM 0 HG22 VAL A 51 4.224 4.884 4.548 1.00 0.00 H new ATOM 0 HG23 VAL A 51 3.847 3.185 4.174 1.00 0.00 H new ATOM 762 N HIS A 52 4.845 3.368 6.865 1.00 0.00 N ATOM 763 CA HIS A 52 6.221 3.626 7.253 1.00 0.00 C ATOM 764 C HIS A 52 7.163 3.185 6.130 1.00 0.00 C ATOM 765 O HIS A 52 7.024 2.087 5.594 1.00 0.00 O ATOM 766 CB HIS A 52 6.543 2.959 8.592 1.00 0.00 C ATOM 767 CG HIS A 52 7.994 3.062 8.997 1.00 0.00 C ATOM 768 ND1 HIS A 52 8.696 2.003 9.547 1.00 0.00 N ATOM 769 CD2 HIS A 52 8.866 4.108 8.927 1.00 0.00 C ATOM 770 CE1 HIS A 52 9.934 2.406 9.793 1.00 0.00 C ATOM 771 NE2 HIS A 52 10.038 3.710 9.408 1.00 0.00 N ATOM 0 H HIS A 52 4.661 2.414 6.554 1.00 0.00 H new ATOM 0 HA HIS A 52 6.365 4.696 7.402 1.00 0.00 H new ATOM 0 HB2 HIS A 52 5.927 3.411 9.369 1.00 0.00 H new ATOM 0 HB3 HIS A 52 6.266 1.906 8.538 1.00 0.00 H new ATOM 0 HD2 HIS A 52 8.642 5.093 8.545 1.00 0.00 H new ATOM 0 HE1 HIS A 52 10.723 1.807 10.223 1.00 0.00 H new ATOM 0 HE2 HIS A 52 10.878 4.285 9.478 1.00 0.00 H new ATOM 779 N PHE A 53 8.100 4.065 5.808 1.00 0.00 N ATOM 780 CA PHE A 53 9.063 3.781 4.759 1.00 0.00 C ATOM 781 C PHE A 53 10.412 3.364 5.351 1.00 0.00 C ATOM 782 O PHE A 53 10.822 3.878 6.390 1.00 0.00 O ATOM 783 CB PHE A 53 9.248 5.072 3.959 1.00 0.00 C ATOM 784 CG PHE A 53 7.986 5.538 3.230 1.00 0.00 C ATOM 785 CD1 PHE A 53 7.583 4.906 2.096 1.00 0.00 C ATOM 786 CD2 PHE A 53 7.267 6.585 3.718 1.00 0.00 C ATOM 787 CE1 PHE A 53 6.411 5.339 1.420 1.00 0.00 C ATOM 788 CE2 PHE A 53 6.096 7.018 3.042 1.00 0.00 C ATOM 789 CZ PHE A 53 5.692 6.386 1.907 1.00 0.00 C ATOM 0 H PHE A 53 8.212 4.975 6.255 1.00 0.00 H new ATOM 0 HA PHE A 53 8.702 2.964 4.134 1.00 0.00 H new ATOM 0 HB2 PHE A 53 9.578 5.862 4.634 1.00 0.00 H new ATOM 0 HB3 PHE A 53 10.044 4.924 3.229 1.00 0.00 H new ATOM 0 HD1 PHE A 53 8.154 4.075 1.709 1.00 0.00 H new ATOM 0 HD2 PHE A 53 7.587 7.087 4.619 1.00 0.00 H new ATOM 0 HE1 PHE A 53 6.091 4.837 0.519 1.00 0.00 H new ATOM 0 HE2 PHE A 53 5.526 7.849 3.429 1.00 0.00 H new ATOM 0 HZ PHE A 53 4.801 6.715 1.393 1.00 0.00 H new ATOM 799 N THR A 54 11.063 2.438 4.663 1.00 0.00 N ATOM 800 CA THR A 54 12.356 1.947 5.107 1.00 0.00 C ATOM 801 C THR A 54 13.386 2.060 3.981 1.00 0.00 C ATOM 802 O THR A 54 13.159 2.762 2.996 1.00 0.00 O ATOM 803 CB THR A 54 12.169 0.517 5.618 1.00 0.00 C ATOM 804 OG1 THR A 54 11.473 -0.140 4.562 1.00 0.00 O ATOM 805 CG2 THR A 54 11.206 0.440 6.804 1.00 0.00 C ATOM 0 H THR A 54 10.719 2.015 3.801 1.00 0.00 H new ATOM 0 HA THR A 54 12.748 2.551 5.925 1.00 0.00 H new ATOM 0 HB THR A 54 13.136 0.106 5.909 1.00 0.00 H new ATOM 0 HG1 THR A 54 11.386 0.469 3.799 1.00 0.00 H new ATOM 0 HG21 THR A 54 11.109 -0.596 7.127 1.00 0.00 H new ATOM 0 HG22 THR A 54 11.593 1.042 7.626 1.00 0.00 H new ATOM 0 HG23 THR A 54 10.229 0.819 6.505 1.00 0.00 H new ATOM 813 N GLU A 55 14.495 1.360 4.164 1.00 0.00 N ATOM 814 CA GLU A 55 15.560 1.373 3.175 1.00 0.00 C ATOM 815 C GLU A 55 15.225 0.425 2.022 1.00 0.00 C ATOM 816 O GLU A 55 15.541 0.711 0.868 1.00 0.00 O ATOM 817 CB GLU A 55 16.903 1.008 3.811 1.00 0.00 C ATOM 818 CG GLU A 55 17.227 -0.472 3.598 1.00 0.00 C ATOM 819 CD GLU A 55 18.351 -0.927 4.531 1.00 0.00 C ATOM 820 OE1 GLU A 55 18.181 -0.746 5.756 1.00 0.00 O ATOM 821 OE2 GLU A 55 19.356 -1.445 3.998 1.00 0.00 O ATOM 0 H GLU A 55 14.680 0.780 4.982 1.00 0.00 H new ATOM 0 HA GLU A 55 15.646 2.384 2.776 1.00 0.00 H new ATOM 0 HB2 GLU A 55 17.693 1.623 3.379 1.00 0.00 H new ATOM 0 HB3 GLU A 55 16.876 1.228 4.878 1.00 0.00 H new ATOM 0 HG2 GLU A 55 16.335 -1.073 3.777 1.00 0.00 H new ATOM 0 HG3 GLU A 55 17.520 -0.638 2.561 1.00 0.00 H new ATOM 828 N ARG A 56 14.588 -0.682 2.373 1.00 0.00 N ATOM 829 CA ARG A 56 14.207 -1.673 1.381 1.00 0.00 C ATOM 830 C ARG A 56 12.865 -2.307 1.753 1.00 0.00 C ATOM 831 O ARG A 56 12.770 -3.523 1.908 1.00 0.00 O ATOM 832 CB ARG A 56 15.266 -2.771 1.264 1.00 0.00 C ATOM 833 CG ARG A 56 16.552 -2.228 0.637 1.00 0.00 C ATOM 834 CD ARG A 56 16.552 -2.432 -0.879 1.00 0.00 C ATOM 835 NE ARG A 56 16.916 -3.830 -1.201 1.00 0.00 N ATOM 836 CZ ARG A 56 18.169 -4.305 -1.177 1.00 0.00 C ATOM 837 NH1 ARG A 56 19.185 -3.496 -0.846 1.00 0.00 N ATOM 838 NH2 ARG A 56 18.406 -5.587 -1.484 1.00 0.00 N ATOM 0 H ARG A 56 14.326 -0.915 3.331 1.00 0.00 H new ATOM 0 HA ARG A 56 14.120 -1.164 0.421 1.00 0.00 H new ATOM 0 HB2 ARG A 56 15.483 -3.179 2.251 1.00 0.00 H new ATOM 0 HB3 ARG A 56 14.880 -3.591 0.658 1.00 0.00 H new ATOM 0 HG2 ARG A 56 16.652 -1.167 0.865 1.00 0.00 H new ATOM 0 HG3 ARG A 56 17.415 -2.730 1.075 1.00 0.00 H new ATOM 0 HD2 ARG A 56 15.567 -2.201 -1.285 1.00 0.00 H new ATOM 0 HD3 ARG A 56 17.259 -1.746 -1.347 1.00 0.00 H new ATOM 0 HE ARG A 56 16.166 -4.472 -1.457 1.00 0.00 H new ATOM 0 HH11 ARG A 56 19.004 -2.520 -0.613 1.00 0.00 H new ATOM 0 HH12 ARG A 56 20.139 -3.857 -0.827 1.00 0.00 H new ATOM 0 HH21 ARG A 56 17.633 -6.202 -1.736 1.00 0.00 H new ATOM 0 HH22 ARG A 56 19.360 -5.948 -1.466 1.00 0.00 H new ATOM 852 N SER A 57 11.860 -1.453 1.885 1.00 0.00 N ATOM 853 CA SER A 57 10.528 -1.914 2.236 1.00 0.00 C ATOM 854 C SER A 57 9.642 -0.723 2.606 1.00 0.00 C ATOM 855 O SER A 57 10.122 0.406 2.700 1.00 0.00 O ATOM 856 CB SER A 57 10.578 -2.917 3.390 1.00 0.00 C ATOM 857 OG SER A 57 11.508 -2.527 4.397 1.00 0.00 O ATOM 0 H SER A 57 11.942 -0.445 1.755 1.00 0.00 H new ATOM 0 HA SER A 57 10.102 -2.420 1.369 1.00 0.00 H new ATOM 0 HB2 SER A 57 9.586 -3.012 3.831 1.00 0.00 H new ATOM 0 HB3 SER A 57 10.852 -3.899 3.005 1.00 0.00 H new ATOM 0 HG SER A 57 11.739 -1.582 4.281 1.00 0.00 H new ATOM 863 N PHE A 58 8.366 -1.015 2.808 1.00 0.00 N ATOM 864 CA PHE A 58 7.409 0.019 3.166 1.00 0.00 C ATOM 865 C PHE A 58 6.067 -0.594 3.573 1.00 0.00 C ATOM 866 O PHE A 58 5.499 -1.398 2.837 1.00 0.00 O ATOM 867 CB PHE A 58 7.203 0.888 1.924 1.00 0.00 C ATOM 868 CG PHE A 58 5.955 0.530 1.114 1.00 0.00 C ATOM 869 CD1 PHE A 58 4.719 0.744 1.640 1.00 0.00 C ATOM 870 CD2 PHE A 58 6.081 -0.001 -0.131 1.00 0.00 C ATOM 871 CE1 PHE A 58 3.560 0.413 0.889 1.00 0.00 C ATOM 872 CE2 PHE A 58 4.922 -0.332 -0.882 1.00 0.00 C ATOM 873 CZ PHE A 58 3.687 -0.118 -0.356 1.00 0.00 C ATOM 0 H PHE A 58 7.972 -1.953 2.731 1.00 0.00 H new ATOM 0 HA PHE A 58 7.785 0.598 4.010 1.00 0.00 H new ATOM 0 HB2 PHE A 58 7.138 1.932 2.230 1.00 0.00 H new ATOM 0 HB3 PHE A 58 8.079 0.799 1.281 1.00 0.00 H new ATOM 0 HD1 PHE A 58 4.619 1.166 2.629 1.00 0.00 H new ATOM 0 HD2 PHE A 58 7.062 -0.171 -0.549 1.00 0.00 H new ATOM 0 HE1 PHE A 58 2.579 0.583 1.307 1.00 0.00 H new ATOM 0 HE2 PHE A 58 5.022 -0.754 -1.871 1.00 0.00 H new ATOM 0 HZ PHE A 58 2.806 -0.370 -0.928 1.00 0.00 H new ATOM 883 N ASP A 59 5.600 -0.189 4.745 1.00 0.00 N ATOM 884 CA ASP A 59 4.336 -0.688 5.260 1.00 0.00 C ATOM 885 C ASP A 59 3.264 0.391 5.100 1.00 0.00 C ATOM 886 O ASP A 59 3.561 1.582 5.179 1.00 0.00 O ATOM 887 CB ASP A 59 4.444 -1.032 6.747 1.00 0.00 C ATOM 888 CG ASP A 59 5.266 -0.048 7.580 1.00 0.00 C ATOM 889 OD1 ASP A 59 6.401 0.251 7.149 1.00 0.00 O ATOM 890 OD2 ASP A 59 4.742 0.384 8.630 1.00 0.00 O ATOM 0 H ASP A 59 6.074 0.479 5.353 1.00 0.00 H new ATOM 0 HA ASP A 59 4.075 -1.586 4.701 1.00 0.00 H new ATOM 0 HB2 ASP A 59 3.439 -1.088 7.165 1.00 0.00 H new ATOM 0 HB3 ASP A 59 4.885 -2.024 6.844 1.00 0.00 H new ATOM 895 N LEU A 60 2.039 -0.064 4.879 1.00 0.00 N ATOM 896 CA LEU A 60 0.921 0.848 4.708 1.00 0.00 C ATOM 897 C LEU A 60 -0.341 0.218 5.300 1.00 0.00 C ATOM 898 O LEU A 60 -0.799 -0.822 4.828 1.00 0.00 O ATOM 899 CB LEU A 60 0.778 1.250 3.239 1.00 0.00 C ATOM 900 CG LEU A 60 -0.189 2.400 2.949 1.00 0.00 C ATOM 901 CD1 LEU A 60 -0.958 2.156 1.650 1.00 0.00 C ATOM 902 CD2 LEU A 60 -1.127 2.640 4.134 1.00 0.00 C ATOM 0 H LEU A 60 1.796 -1.053 4.814 1.00 0.00 H new ATOM 0 HA LEU A 60 1.099 1.776 5.252 1.00 0.00 H new ATOM 0 HB2 LEU A 60 1.763 1.525 2.861 1.00 0.00 H new ATOM 0 HB3 LEU A 60 0.452 0.377 2.674 1.00 0.00 H new ATOM 0 HG LEU A 60 0.395 3.310 2.811 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -1.638 2.988 1.468 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -0.255 2.074 0.821 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -1.530 1.232 1.734 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -1.804 3.462 3.902 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -1.706 1.737 4.328 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -0.540 2.892 5.017 1.00 0.00 H new ATOM 914 N LEU A 61 -0.867 0.873 6.324 1.00 0.00 N ATOM 915 CA LEU A 61 -2.068 0.390 6.984 1.00 0.00 C ATOM 916 C LEU A 61 -3.233 1.328 6.665 1.00 0.00 C ATOM 917 O LEU A 61 -3.033 2.522 6.450 1.00 0.00 O ATOM 918 CB LEU A 61 -1.818 0.208 8.483 1.00 0.00 C ATOM 919 CG LEU A 61 -3.065 0.080 9.360 1.00 0.00 C ATOM 920 CD1 LEU A 61 -3.858 1.388 9.380 1.00 0.00 C ATOM 921 CD2 LEU A 61 -3.926 -1.105 8.919 1.00 0.00 C ATOM 0 H LEU A 61 -0.484 1.734 6.713 1.00 0.00 H new ATOM 0 HA LEU A 61 -2.340 -0.596 6.607 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -1.206 -0.683 8.624 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -1.233 1.056 8.839 1.00 0.00 H new ATOM 0 HG LEU A 61 -2.744 -0.118 10.383 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -4.739 1.270 10.011 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -3.232 2.187 9.777 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -4.169 1.641 8.366 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -4.806 -1.173 9.559 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -4.239 -0.962 7.885 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -3.347 -2.025 8.999 1.00 0.00 H new ATOM 933 N VAL A 62 -4.426 0.751 6.643 1.00 0.00 N ATOM 934 CA VAL A 62 -5.624 1.520 6.352 1.00 0.00 C ATOM 935 C VAL A 62 -6.781 0.996 7.206 1.00 0.00 C ATOM 936 O VAL A 62 -7.245 -0.126 7.006 1.00 0.00 O ATOM 937 CB VAL A 62 -5.921 1.480 4.852 1.00 0.00 C ATOM 938 CG1 VAL A 62 -7.261 2.149 4.540 1.00 0.00 C ATOM 939 CG2 VAL A 62 -4.788 2.123 4.051 1.00 0.00 C ATOM 0 H VAL A 62 -4.588 -0.240 6.822 1.00 0.00 H new ATOM 0 HA VAL A 62 -5.477 2.568 6.612 1.00 0.00 H new ATOM 0 HB VAL A 62 -5.991 0.434 4.553 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -7.448 2.107 3.467 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -8.060 1.628 5.068 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -7.232 3.190 4.862 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -5.025 2.081 2.988 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -4.671 3.163 4.356 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -3.859 1.584 4.237 1.00 0.00 H new ATOM 949 N LYS A 63 -7.213 1.832 8.138 1.00 0.00 N ATOM 950 CA LYS A 63 -8.307 1.467 9.022 1.00 0.00 C ATOM 951 C LYS A 63 -9.544 2.293 8.664 1.00 0.00 C ATOM 952 O LYS A 63 -9.438 3.314 7.986 1.00 0.00 O ATOM 953 CB LYS A 63 -7.880 1.600 10.485 1.00 0.00 C ATOM 954 CG LYS A 63 -7.757 0.226 11.148 1.00 0.00 C ATOM 955 CD LYS A 63 -6.462 0.121 11.956 1.00 0.00 C ATOM 956 CE LYS A 63 -5.939 -1.316 11.970 1.00 0.00 C ATOM 957 NZ LYS A 63 -4.979 -1.508 13.080 1.00 0.00 N ATOM 0 H LYS A 63 -6.825 2.761 8.300 1.00 0.00 H new ATOM 0 HA LYS A 63 -8.574 0.419 8.886 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -6.925 2.122 10.543 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -8.607 2.205 11.026 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -8.612 0.056 11.802 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -7.778 -0.553 10.386 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -5.708 0.782 11.529 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -6.638 0.457 12.978 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -6.772 -2.011 12.077 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -5.455 -1.542 11.020 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -4.634 -2.489 13.075 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -4.176 -0.858 12.961 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -5.452 -1.312 13.985 1.00 0.00 H new ATOM 971 N ASN A 64 -10.688 1.821 9.137 1.00 0.00 N ATOM 972 CA ASN A 64 -11.944 2.504 8.876 1.00 0.00 C ATOM 973 C ASN A 64 -11.963 2.991 7.425 1.00 0.00 C ATOM 974 O ASN A 64 -11.509 4.096 7.132 1.00 0.00 O ATOM 975 CB ASN A 64 -12.108 3.723 9.786 1.00 0.00 C ATOM 976 CG ASN A 64 -13.580 3.950 10.137 1.00 0.00 C ATOM 977 OD1 ASN A 64 -14.397 3.045 10.117 1.00 0.00 O ATOM 978 ND2 ASN A 64 -13.871 5.207 10.460 1.00 0.00 N ATOM 0 H ASN A 64 -10.772 0.974 9.699 1.00 0.00 H new ATOM 0 HA ASN A 64 -12.755 1.801 9.065 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -11.530 3.580 10.699 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -11.708 4.608 9.291 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -14.826 5.461 10.711 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -13.139 5.917 10.457 1.00 0.00 H new ATOM 985 N LEU A 65 -12.491 2.142 6.556 1.00 0.00 N ATOM 986 CA LEU A 65 -12.575 2.472 5.144 1.00 0.00 C ATOM 987 C LEU A 65 -14.008 2.248 4.656 1.00 0.00 C ATOM 988 O LEU A 65 -14.959 2.732 5.268 1.00 0.00 O ATOM 989 CB LEU A 65 -11.526 1.692 4.349 1.00 0.00 C ATOM 990 CG LEU A 65 -11.197 2.238 2.958 1.00 0.00 C ATOM 991 CD1 LEU A 65 -11.909 3.569 2.708 1.00 0.00 C ATOM 992 CD2 LEU A 65 -9.684 2.351 2.757 1.00 0.00 C ATOM 0 H LEU A 65 -12.865 1.226 6.803 1.00 0.00 H new ATOM 0 HA LEU A 65 -12.345 3.525 4.985 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -10.606 1.661 4.932 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -11.871 0.663 4.242 1.00 0.00 H new ATOM 0 HG LEU A 65 -11.569 1.530 2.217 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -11.658 3.935 1.712 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -12.987 3.424 2.780 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -11.590 4.298 3.453 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -9.477 2.741 1.760 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -9.267 3.026 3.505 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -9.228 1.366 2.862 1.00 0.00 H new ATOM 1004 N ASN A 66 -14.117 1.513 3.559 1.00 0.00 N ATOM 1005 CA ASN A 66 -15.418 1.219 2.982 1.00 0.00 C ATOM 1006 C ASN A 66 -16.127 0.171 3.841 1.00 0.00 C ATOM 1007 O ASN A 66 -16.261 -0.982 3.436 1.00 0.00 O ATOM 1008 CB ASN A 66 -15.278 0.655 1.567 1.00 0.00 C ATOM 1009 CG ASN A 66 -16.439 1.107 0.679 1.00 0.00 C ATOM 1010 OD1 ASN A 66 -17.313 0.337 0.315 1.00 0.00 O ATOM 1011 ND2 ASN A 66 -16.399 2.395 0.351 1.00 0.00 N ATOM 0 H ASN A 66 -13.326 1.112 3.055 1.00 0.00 H new ATOM 0 HA ASN A 66 -15.988 2.147 2.945 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -14.334 0.984 1.133 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -15.249 -0.434 1.607 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -17.129 2.794 -0.240 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -15.639 2.984 0.690 1.00 0.00 H new ATOM 1018 N GLY A 67 -16.563 0.609 5.013 1.00 0.00 N ATOM 1019 CA GLY A 67 -17.255 -0.277 5.934 1.00 0.00 C ATOM 1020 C GLY A 67 -16.344 -1.421 6.383 1.00 0.00 C ATOM 1021 O GLY A 67 -16.822 -2.454 6.848 1.00 0.00 O ATOM 0 H GLY A 67 -16.450 1.566 5.346 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -17.591 0.287 6.804 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -18.145 -0.683 5.454 1.00 0.00 H new ATOM 1025 N LYS A 68 -15.047 -1.197 6.228 1.00 0.00 N ATOM 1026 CA LYS A 68 -14.064 -2.196 6.613 1.00 0.00 C ATOM 1027 C LYS A 68 -12.683 -1.543 6.691 1.00 0.00 C ATOM 1028 O LYS A 68 -12.566 -0.320 6.621 1.00 0.00 O ATOM 1029 CB LYS A 68 -14.123 -3.397 5.667 1.00 0.00 C ATOM 1030 CG LYS A 68 -14.588 -2.974 4.272 1.00 0.00 C ATOM 1031 CD LYS A 68 -13.844 -3.755 3.186 1.00 0.00 C ATOM 1032 CE LYS A 68 -13.962 -5.263 3.417 1.00 0.00 C ATOM 1033 NZ LYS A 68 -15.362 -5.707 3.235 1.00 0.00 N ATOM 0 H LYS A 68 -14.654 -0.339 5.841 1.00 0.00 H new ATOM 0 HA LYS A 68 -14.288 -2.588 7.605 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -13.139 -3.861 5.601 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -14.803 -4.148 6.069 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -15.661 -3.142 4.176 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -14.419 -1.906 4.137 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -14.250 -3.501 2.207 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -12.793 -3.465 3.180 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -13.312 -5.795 2.722 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -13.624 -5.510 4.423 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -15.410 -6.743 3.312 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -15.961 -5.277 3.969 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -15.700 -5.413 2.296 1.00 0.00 H new ATOM 1047 N SER A 69 -11.672 -2.387 6.836 1.00 0.00 N ATOM 1048 CA SER A 69 -10.303 -1.906 6.925 1.00 0.00 C ATOM 1049 C SER A 69 -9.413 -2.678 5.948 1.00 0.00 C ATOM 1050 O SER A 69 -9.706 -3.824 5.609 1.00 0.00 O ATOM 1051 CB SER A 69 -9.765 -2.038 8.351 1.00 0.00 C ATOM 1052 OG SER A 69 -10.561 -1.321 9.290 1.00 0.00 O ATOM 0 H SER A 69 -11.773 -3.400 6.894 1.00 0.00 H new ATOM 0 HA SER A 69 -10.293 -0.849 6.658 1.00 0.00 H new ATOM 0 HB2 SER A 69 -9.734 -3.091 8.631 1.00 0.00 H new ATOM 0 HB3 SER A 69 -8.740 -1.669 8.388 1.00 0.00 H new ATOM 0 HG SER A 69 -10.186 -1.432 10.189 1.00 0.00 H new ATOM 1058 N TYR A 70 -8.345 -2.019 5.523 1.00 0.00 N ATOM 1059 CA TYR A 70 -7.411 -2.629 4.592 1.00 0.00 C ATOM 1060 C TYR A 70 -5.968 -2.450 5.068 1.00 0.00 C ATOM 1061 O TYR A 70 -5.638 -1.447 5.698 1.00 0.00 O ATOM 1062 CB TYR A 70 -7.594 -1.889 3.266 1.00 0.00 C ATOM 1063 CG TYR A 70 -8.974 -2.075 2.634 1.00 0.00 C ATOM 1064 CD1 TYR A 70 -10.083 -1.492 3.213 1.00 0.00 C ATOM 1065 CD2 TYR A 70 -9.111 -2.827 1.484 1.00 0.00 C ATOM 1066 CE1 TYR A 70 -11.382 -1.668 2.618 1.00 0.00 C ATOM 1067 CE2 TYR A 70 -10.410 -3.003 0.889 1.00 0.00 C ATOM 1068 CZ TYR A 70 -11.482 -2.415 1.486 1.00 0.00 C ATOM 1069 OH TYR A 70 -12.709 -2.581 0.924 1.00 0.00 O ATOM 0 H TYR A 70 -8.106 -1.069 5.806 1.00 0.00 H new ATOM 0 HA TYR A 70 -7.600 -3.699 4.503 1.00 0.00 H new ATOM 0 HB2 TYR A 70 -7.421 -0.825 3.429 1.00 0.00 H new ATOM 0 HB3 TYR A 70 -6.835 -2.232 2.563 1.00 0.00 H new ATOM 0 HD1 TYR A 70 -9.976 -0.904 4.112 1.00 0.00 H new ATOM 0 HD2 TYR A 70 -8.243 -3.283 1.031 1.00 0.00 H new ATOM 0 HE1 TYR A 70 -12.258 -1.217 3.061 1.00 0.00 H new ATOM 0 HE2 TYR A 70 -10.531 -3.588 -0.011 1.00 0.00 H new ATOM 0 HH TYR A 70 -12.628 -3.136 0.120 1.00 0.00 H new ATOM 1079 N SER A 71 -5.147 -3.440 4.749 1.00 0.00 N ATOM 1080 CA SER A 71 -3.746 -3.405 5.136 1.00 0.00 C ATOM 1081 C SER A 71 -2.863 -3.740 3.933 1.00 0.00 C ATOM 1082 O SER A 71 -3.228 -4.570 3.102 1.00 0.00 O ATOM 1083 CB SER A 71 -3.468 -4.375 6.286 1.00 0.00 C ATOM 1084 OG SER A 71 -3.810 -5.716 5.947 1.00 0.00 O ATOM 0 H SER A 71 -5.425 -4.271 4.227 1.00 0.00 H new ATOM 0 HA SER A 71 -3.511 -2.398 5.482 1.00 0.00 H new ATOM 0 HB2 SER A 71 -2.413 -4.327 6.554 1.00 0.00 H new ATOM 0 HB3 SER A 71 -4.035 -4.067 7.165 1.00 0.00 H new ATOM 0 HG SER A 71 -4.711 -5.737 5.563 1.00 0.00 H new ATOM 1090 N MET A 72 -1.717 -3.078 3.878 1.00 0.00 N ATOM 1091 CA MET A 72 -0.778 -3.295 2.790 1.00 0.00 C ATOM 1092 C MET A 72 0.659 -3.031 3.245 1.00 0.00 C ATOM 1093 O MET A 72 0.993 -1.915 3.642 1.00 0.00 O ATOM 1094 CB MET A 72 -1.123 -2.367 1.624 1.00 0.00 C ATOM 1095 CG MET A 72 -0.049 -2.429 0.537 1.00 0.00 C ATOM 1096 SD MET A 72 -0.763 -2.034 -1.051 1.00 0.00 S ATOM 1097 CE MET A 72 -0.098 -3.369 -2.031 1.00 0.00 C ATOM 0 H MET A 72 -1.417 -2.391 4.569 1.00 0.00 H new ATOM 0 HA MET A 72 -0.854 -4.335 2.472 1.00 0.00 H new ATOM 0 HB2 MET A 72 -2.088 -2.649 1.203 1.00 0.00 H new ATOM 0 HB3 MET A 72 -1.220 -1.343 1.986 1.00 0.00 H new ATOM 0 HG2 MET A 72 0.754 -1.729 0.768 1.00 0.00 H new ATOM 0 HG3 MET A 72 0.394 -3.425 0.508 1.00 0.00 H new ATOM 0 HE1 MET A 72 0.402 -2.961 -2.910 1.00 0.00 H new ATOM 0 HE2 MET A 72 0.619 -3.935 -1.436 1.00 0.00 H new ATOM 0 HE3 MET A 72 -0.908 -4.027 -2.346 1.00 0.00 H new ATOM 1107 N ILE A 73 1.471 -4.075 3.171 1.00 0.00 N ATOM 1108 CA ILE A 73 2.864 -3.970 3.571 1.00 0.00 C ATOM 1109 C ILE A 73 3.742 -4.665 2.529 1.00 0.00 C ATOM 1110 O ILE A 73 3.361 -5.697 1.978 1.00 0.00 O ATOM 1111 CB ILE A 73 3.056 -4.504 4.991 1.00 0.00 C ATOM 1112 CG1 ILE A 73 2.359 -3.604 6.014 1.00 0.00 C ATOM 1113 CG2 ILE A 73 4.540 -4.692 5.311 1.00 0.00 C ATOM 1114 CD1 ILE A 73 2.854 -3.899 7.431 1.00 0.00 C ATOM 0 H ILE A 73 1.191 -4.998 2.840 1.00 0.00 H new ATOM 0 HA ILE A 73 3.173 -2.925 3.604 1.00 0.00 H new ATOM 0 HB ILE A 73 2.587 -5.486 5.052 1.00 0.00 H new ATOM 0 HG12 ILE A 73 2.545 -2.558 5.770 1.00 0.00 H new ATOM 0 HG13 ILE A 73 1.281 -3.756 5.963 1.00 0.00 H new ATOM 0 HG21 ILE A 73 4.648 -5.073 6.327 1.00 0.00 H new ATOM 0 HG22 ILE A 73 4.976 -5.403 4.609 1.00 0.00 H new ATOM 0 HG23 ILE A 73 5.055 -3.735 5.226 1.00 0.00 H new ATOM 0 HD11 ILE A 73 2.343 -3.246 8.138 1.00 0.00 H new ATOM 0 HD12 ILE A 73 2.644 -4.939 7.681 1.00 0.00 H new ATOM 0 HD13 ILE A 73 3.928 -3.723 7.485 1.00 0.00 H new ATOM 1126 N VAL A 74 4.902 -4.072 2.289 1.00 0.00 N ATOM 1127 CA VAL A 74 5.838 -4.621 1.322 1.00 0.00 C ATOM 1128 C VAL A 74 7.218 -4.750 1.971 1.00 0.00 C ATOM 1129 O VAL A 74 7.802 -3.755 2.398 1.00 0.00 O ATOM 1130 CB VAL A 74 5.850 -3.760 0.058 1.00 0.00 C ATOM 1131 CG1 VAL A 74 4.535 -2.993 -0.096 1.00 0.00 C ATOM 1132 CG2 VAL A 74 7.045 -2.804 0.057 1.00 0.00 C ATOM 0 H VAL A 74 5.215 -3.216 2.747 1.00 0.00 H new ATOM 0 HA VAL A 74 5.528 -5.620 1.015 1.00 0.00 H new ATOM 0 HB VAL A 74 5.952 -4.426 -0.799 1.00 0.00 H new ATOM 0 HG11 VAL A 74 4.570 -2.389 -1.003 1.00 0.00 H new ATOM 0 HG12 VAL A 74 3.707 -3.699 -0.163 1.00 0.00 H new ATOM 0 HG13 VAL A 74 4.389 -2.344 0.767 1.00 0.00 H new ATOM 0 HG21 VAL A 74 7.030 -2.204 -0.853 1.00 0.00 H new ATOM 0 HG22 VAL A 74 6.987 -2.148 0.926 1.00 0.00 H new ATOM 0 HG23 VAL A 74 7.971 -3.378 0.097 1.00 0.00 H new ATOM 1142 N ASN A 75 7.698 -5.983 2.025 1.00 0.00 N ATOM 1143 CA ASN A 75 8.998 -6.255 2.615 1.00 0.00 C ATOM 1144 C ASN A 75 9.932 -6.818 1.542 1.00 0.00 C ATOM 1145 O ASN A 75 9.555 -7.720 0.796 1.00 0.00 O ATOM 1146 CB ASN A 75 8.889 -7.289 3.737 1.00 0.00 C ATOM 1147 CG ASN A 75 8.441 -6.634 5.045 1.00 0.00 C ATOM 1148 OD1 ASN A 75 8.926 -5.588 5.443 1.00 0.00 O ATOM 1149 ND2 ASN A 75 7.492 -7.307 5.689 1.00 0.00 N ATOM 0 H ASN A 75 7.210 -6.805 1.670 1.00 0.00 H new ATOM 0 HA ASN A 75 9.385 -5.321 3.022 1.00 0.00 H new ATOM 0 HB2 ASN A 75 8.179 -8.065 3.453 1.00 0.00 H new ATOM 0 HB3 ASN A 75 9.853 -7.777 3.882 1.00 0.00 H new ATOM 0 HD21 ASN A 75 7.126 -6.953 6.573 1.00 0.00 H new ATOM 0 HD22 ASN A 75 7.130 -8.177 5.299 1.00 0.00 H new ATOM 1156 N ASN A 76 11.134 -6.262 1.498 1.00 0.00 N ATOM 1157 CA ASN A 76 12.126 -6.698 0.529 1.00 0.00 C ATOM 1158 C ASN A 76 11.821 -6.060 -0.827 1.00 0.00 C ATOM 1159 O ASN A 76 11.073 -6.620 -1.627 1.00 0.00 O ATOM 1160 CB ASN A 76 12.095 -8.218 0.355 1.00 0.00 C ATOM 1161 CG ASN A 76 11.763 -8.915 1.676 1.00 0.00 C ATOM 1162 OD1 ASN A 76 12.011 -8.405 2.756 1.00 0.00 O ATOM 1163 ND2 ASN A 76 11.190 -10.106 1.530 1.00 0.00 N ATOM 0 H ASN A 76 11.444 -5.513 2.118 1.00 0.00 H new ATOM 0 HA ASN A 76 13.109 -6.397 0.893 1.00 0.00 H new ATOM 0 HB2 ASN A 76 11.354 -8.486 -0.398 1.00 0.00 H new ATOM 0 HB3 ASN A 76 13.061 -8.565 -0.011 1.00 0.00 H new ATOM 0 HD21 ASN A 76 10.930 -10.651 2.352 1.00 0.00 H new ATOM 0 HD22 ASN A 76 11.010 -10.474 0.596 1.00 0.00 H new ATOM 1170 N LEU A 77 12.416 -4.896 -1.045 1.00 0.00 N ATOM 1171 CA LEU A 77 12.217 -4.176 -2.292 1.00 0.00 C ATOM 1172 C LEU A 77 13.407 -4.432 -3.219 1.00 0.00 C ATOM 1173 O LEU A 77 14.559 -4.342 -2.797 1.00 0.00 O ATOM 1174 CB LEU A 77 11.959 -2.693 -2.018 1.00 0.00 C ATOM 1175 CG LEU A 77 10.657 -2.363 -1.286 1.00 0.00 C ATOM 1176 CD1 LEU A 77 10.706 -0.956 -0.687 1.00 0.00 C ATOM 1177 CD2 LEU A 77 9.448 -2.553 -2.205 1.00 0.00 C ATOM 0 H LEU A 77 13.036 -4.434 -0.380 1.00 0.00 H new ATOM 0 HA LEU A 77 11.328 -4.541 -2.806 1.00 0.00 H new ATOM 0 HB2 LEU A 77 12.791 -2.302 -1.432 1.00 0.00 H new ATOM 0 HB3 LEU A 77 11.962 -2.162 -2.970 1.00 0.00 H new ATOM 0 HG LEU A 77 10.545 -3.062 -0.457 1.00 0.00 H new ATOM 0 HD11 LEU A 77 9.768 -0.747 -0.172 1.00 0.00 H new ATOM 0 HD12 LEU A 77 11.531 -0.891 0.022 1.00 0.00 H new ATOM 0 HD13 LEU A 77 10.853 -0.226 -1.483 1.00 0.00 H new ATOM 0 HD21 LEU A 77 8.535 -2.312 -1.660 1.00 0.00 H new ATOM 0 HD22 LEU A 77 9.540 -1.894 -3.068 1.00 0.00 H new ATOM 0 HD23 LEU A 77 9.406 -3.589 -2.542 1.00 0.00 H new ATOM 1189 N LEU A 78 13.087 -4.747 -4.466 1.00 0.00 N ATOM 1190 CA LEU A 78 14.115 -5.017 -5.456 1.00 0.00 C ATOM 1191 C LEU A 78 15.292 -4.065 -5.236 1.00 0.00 C ATOM 1192 O LEU A 78 16.446 -4.490 -5.225 1.00 0.00 O ATOM 1193 CB LEU A 78 13.529 -4.954 -6.868 1.00 0.00 C ATOM 1194 CG LEU A 78 14.171 -5.880 -7.903 1.00 0.00 C ATOM 1195 CD1 LEU A 78 13.780 -7.338 -7.652 1.00 0.00 C ATOM 1196 CD2 LEU A 78 13.831 -5.432 -9.326 1.00 0.00 C ATOM 0 H LEU A 78 12.131 -4.821 -4.813 1.00 0.00 H new ATOM 0 HA LEU A 78 14.498 -6.031 -5.340 1.00 0.00 H new ATOM 0 HB2 LEU A 78 12.466 -5.189 -6.810 1.00 0.00 H new ATOM 0 HB3 LEU A 78 13.610 -3.928 -7.228 1.00 0.00 H new ATOM 0 HG LEU A 78 15.254 -5.814 -7.795 1.00 0.00 H new ATOM 0 HD11 LEU A 78 14.250 -7.975 -8.402 1.00 0.00 H new ATOM 0 HD12 LEU A 78 14.115 -7.639 -6.659 1.00 0.00 H new ATOM 0 HD13 LEU A 78 12.697 -7.440 -7.716 1.00 0.00 H new ATOM 0 HD21 LEU A 78 14.300 -6.107 -10.042 1.00 0.00 H new ATOM 0 HD22 LEU A 78 12.750 -5.450 -9.465 1.00 0.00 H new ATOM 0 HD23 LEU A 78 14.201 -4.419 -9.487 1.00 0.00 H new ATOM 1208 N LYS A 79 14.960 -2.793 -5.067 1.00 0.00 N ATOM 1209 CA LYS A 79 15.975 -1.777 -4.848 1.00 0.00 C ATOM 1210 C LYS A 79 15.636 -0.989 -3.581 1.00 0.00 C ATOM 1211 O LYS A 79 14.494 -1.004 -3.123 1.00 0.00 O ATOM 1212 CB LYS A 79 16.134 -0.902 -6.092 1.00 0.00 C ATOM 1213 CG LYS A 79 16.256 -1.759 -7.354 1.00 0.00 C ATOM 1214 CD LYS A 79 17.723 -2.036 -7.688 1.00 0.00 C ATOM 1215 CE LYS A 79 17.854 -3.234 -8.631 1.00 0.00 C ATOM 1216 NZ LYS A 79 19.224 -3.792 -8.574 1.00 0.00 N ATOM 0 H LYS A 79 14.002 -2.443 -5.077 1.00 0.00 H new ATOM 0 HA LYS A 79 16.949 -2.240 -4.686 1.00 0.00 H new ATOM 0 HB2 LYS A 79 15.277 -0.234 -6.183 1.00 0.00 H new ATOM 0 HB3 LYS A 79 17.018 -0.273 -5.988 1.00 0.00 H new ATOM 0 HG2 LYS A 79 15.728 -2.702 -7.210 1.00 0.00 H new ATOM 0 HG3 LYS A 79 15.778 -1.250 -8.191 1.00 0.00 H new ATOM 0 HD2 LYS A 79 18.167 -1.154 -8.150 1.00 0.00 H new ATOM 0 HD3 LYS A 79 18.279 -2.229 -6.770 1.00 0.00 H new ATOM 0 HE2 LYS A 79 17.131 -4.002 -8.356 1.00 0.00 H new ATOM 0 HE3 LYS A 79 17.622 -2.928 -9.651 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 19.295 -4.604 -9.220 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 19.908 -3.062 -8.859 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 19.432 -4.102 -7.603 1.00 0.00 H new ATOM 1230 N PRO A 80 16.676 -0.302 -3.036 1.00 0.00 N ATOM 1231 CA PRO A 80 16.500 0.491 -1.831 1.00 0.00 C ATOM 1232 C PRO A 80 15.754 1.792 -2.135 1.00 0.00 C ATOM 1233 O PRO A 80 15.506 2.113 -3.296 1.00 0.00 O ATOM 1234 CB PRO A 80 17.906 0.722 -1.303 1.00 0.00 C ATOM 1235 CG PRO A 80 18.840 0.451 -2.472 1.00 0.00 C ATOM 1236 CD PRO A 80 18.041 -0.261 -3.551 1.00 0.00 C ATOM 0 HA PRO A 80 15.886 -0.011 -1.083 1.00 0.00 H new ATOM 0 HB2 PRO A 80 18.023 1.742 -0.938 1.00 0.00 H new ATOM 0 HB3 PRO A 80 18.123 0.057 -0.467 1.00 0.00 H new ATOM 0 HG2 PRO A 80 19.252 1.384 -2.855 1.00 0.00 H new ATOM 0 HG3 PRO A 80 19.683 -0.163 -2.153 1.00 0.00 H new ATOM 0 HD2 PRO A 80 18.091 0.275 -4.499 1.00 0.00 H new ATOM 0 HD3 PRO A 80 18.426 -1.265 -3.732 1.00 0.00 H new ATOM 1244 N ILE A 81 15.416 2.505 -1.070 1.00 0.00 N ATOM 1245 CA ILE A 81 14.703 3.764 -1.208 1.00 0.00 C ATOM 1246 C ILE A 81 14.976 4.636 0.018 1.00 0.00 C ATOM 1247 O ILE A 81 15.225 4.122 1.108 1.00 0.00 O ATOM 1248 CB ILE A 81 13.216 3.512 -1.466 1.00 0.00 C ATOM 1249 CG1 ILE A 81 12.592 2.705 -0.326 1.00 0.00 C ATOM 1250 CG2 ILE A 81 13.000 2.846 -2.826 1.00 0.00 C ATOM 1251 CD1 ILE A 81 11.564 3.541 0.439 1.00 0.00 C ATOM 0 H ILE A 81 15.623 2.235 -0.108 1.00 0.00 H new ATOM 0 HA ILE A 81 15.064 4.314 -2.077 1.00 0.00 H new ATOM 0 HB ILE A 81 12.706 4.475 -1.496 1.00 0.00 H new ATOM 0 HG12 ILE A 81 12.113 1.812 -0.728 1.00 0.00 H new ATOM 0 HG13 ILE A 81 13.373 2.369 0.356 1.00 0.00 H new ATOM 0 HG21 ILE A 81 11.935 2.678 -2.984 1.00 0.00 H new ATOM 0 HG22 ILE A 81 13.386 3.493 -3.613 1.00 0.00 H new ATOM 0 HG23 ILE A 81 13.525 1.891 -2.851 1.00 0.00 H new ATOM 0 HD11 ILE A 81 11.136 2.944 1.244 1.00 0.00 H new ATOM 0 HD12 ILE A 81 12.051 4.421 0.860 1.00 0.00 H new ATOM 0 HD13 ILE A 81 10.772 3.855 -0.241 1.00 0.00 H new ATOM 1263 N SER A 82 14.921 5.942 -0.200 1.00 0.00 N ATOM 1264 CA SER A 82 15.159 6.891 0.874 1.00 0.00 C ATOM 1265 C SER A 82 13.905 7.027 1.740 1.00 0.00 C ATOM 1266 O SER A 82 12.816 7.280 1.226 1.00 0.00 O ATOM 1267 CB SER A 82 15.574 8.256 0.322 1.00 0.00 C ATOM 1268 OG SER A 82 16.940 8.552 0.599 1.00 0.00 O ATOM 0 H SER A 82 14.715 6.365 -1.105 1.00 0.00 H new ATOM 0 HA SER A 82 15.977 6.514 1.488 1.00 0.00 H new ATOM 0 HB2 SER A 82 15.410 8.276 -0.755 1.00 0.00 H new ATOM 0 HB3 SER A 82 14.940 9.030 0.755 1.00 0.00 H new ATOM 0 HG SER A 82 17.166 9.431 0.229 1.00 0.00 H new ATOM 1274 N VAL A 83 14.099 6.854 3.039 1.00 0.00 N ATOM 1275 CA VAL A 83 12.997 6.955 3.980 1.00 0.00 C ATOM 1276 C VAL A 83 12.546 8.414 4.076 1.00 0.00 C ATOM 1277 O VAL A 83 11.455 8.761 3.626 1.00 0.00 O ATOM 1278 CB VAL A 83 13.408 6.366 5.332 1.00 0.00 C ATOM 1279 CG1 VAL A 83 12.420 6.770 6.428 1.00 0.00 C ATOM 1280 CG2 VAL A 83 13.543 4.844 5.248 1.00 0.00 C ATOM 0 H VAL A 83 15.003 6.644 3.462 1.00 0.00 H new ATOM 0 HA VAL A 83 12.143 6.373 3.633 1.00 0.00 H new ATOM 0 HB VAL A 83 14.384 6.775 5.594 1.00 0.00 H new ATOM 0 HG11 VAL A 83 12.735 6.339 7.378 1.00 0.00 H new ATOM 0 HG12 VAL A 83 12.395 7.856 6.513 1.00 0.00 H new ATOM 0 HG13 VAL A 83 11.425 6.403 6.175 1.00 0.00 H new ATOM 0 HG21 VAL A 83 13.836 4.450 6.221 1.00 0.00 H new ATOM 0 HG22 VAL A 83 12.588 4.410 4.953 1.00 0.00 H new ATOM 0 HG23 VAL A 83 14.302 4.586 4.509 1.00 0.00 H new ATOM 1290 N GLU A 84 13.407 9.229 4.667 1.00 0.00 N ATOM 1291 CA GLU A 84 13.111 10.642 4.828 1.00 0.00 C ATOM 1292 C GLU A 84 12.867 11.292 3.464 1.00 0.00 C ATOM 1293 O GLU A 84 12.332 12.397 3.386 1.00 0.00 O ATOM 1294 CB GLU A 84 14.235 11.356 5.582 1.00 0.00 C ATOM 1295 CG GLU A 84 14.174 11.045 7.079 1.00 0.00 C ATOM 1296 CD GLU A 84 14.915 12.110 7.891 1.00 0.00 C ATOM 1297 OE1 GLU A 84 14.315 13.187 8.095 1.00 0.00 O ATOM 1298 OE2 GLU A 84 16.064 11.822 8.288 1.00 0.00 O ATOM 0 H GLU A 84 14.310 8.937 5.040 1.00 0.00 H new ATOM 0 HA GLU A 84 12.202 10.737 5.422 1.00 0.00 H new ATOM 0 HB2 GLU A 84 15.200 11.046 5.182 1.00 0.00 H new ATOM 0 HB3 GLU A 84 14.156 12.432 5.427 1.00 0.00 H new ATOM 0 HG2 GLU A 84 13.134 10.995 7.402 1.00 0.00 H new ATOM 0 HG3 GLU A 84 14.614 10.066 7.269 1.00 0.00 H new ATOM 1305 N GLY A 85 13.271 10.578 2.424 1.00 0.00 N ATOM 1306 CA GLY A 85 13.103 11.072 1.067 1.00 0.00 C ATOM 1307 C GLY A 85 11.801 10.555 0.453 1.00 0.00 C ATOM 1308 O GLY A 85 11.333 11.083 -0.555 1.00 0.00 O ATOM 0 H GLY A 85 13.714 9.662 2.493 1.00 0.00 H new ATOM 0 HA2 GLY A 85 13.100 12.162 1.071 1.00 0.00 H new ATOM 0 HA3 GLY A 85 13.948 10.758 0.454 1.00 0.00 H new ATOM 1312 N SER A 86 11.251 9.530 1.087 1.00 0.00 N ATOM 1313 CA SER A 86 10.011 8.936 0.615 1.00 0.00 C ATOM 1314 C SER A 86 8.817 9.739 1.134 1.00 0.00 C ATOM 1315 O SER A 86 8.967 10.581 2.017 1.00 0.00 O ATOM 1316 CB SER A 86 9.899 7.474 1.053 1.00 0.00 C ATOM 1317 OG SER A 86 10.633 6.603 0.197 1.00 0.00 O ATOM 0 H SER A 86 11.641 9.095 1.923 1.00 0.00 H new ATOM 0 HA SER A 86 10.012 8.961 -0.475 1.00 0.00 H new ATOM 0 HB2 SER A 86 10.266 7.372 2.074 1.00 0.00 H new ATOM 0 HB3 SER A 86 8.850 7.177 1.060 1.00 0.00 H new ATOM 0 HG SER A 86 11.551 6.515 0.529 1.00 0.00 H new ATOM 1323 N SER A 87 7.657 9.449 0.563 1.00 0.00 N ATOM 1324 CA SER A 87 6.437 10.133 0.956 1.00 0.00 C ATOM 1325 C SER A 87 5.217 9.309 0.540 1.00 0.00 C ATOM 1326 O SER A 87 5.303 8.479 -0.364 1.00 0.00 O ATOM 1327 CB SER A 87 6.367 11.532 0.341 1.00 0.00 C ATOM 1328 OG SER A 87 7.652 12.144 0.259 1.00 0.00 O ATOM 0 H SER A 87 7.536 8.749 -0.169 1.00 0.00 H new ATOM 0 HA SER A 87 6.441 10.242 2.041 1.00 0.00 H new ATOM 0 HB2 SER A 87 5.931 11.468 -0.656 1.00 0.00 H new ATOM 0 HB3 SER A 87 5.705 12.158 0.939 1.00 0.00 H new ATOM 0 HG SER A 87 8.175 11.915 1.056 1.00 0.00 H new ATOM 1334 N LYS A 88 4.109 9.566 1.219 1.00 0.00 N ATOM 1335 CA LYS A 88 2.873 8.859 0.931 1.00 0.00 C ATOM 1336 C LYS A 88 1.825 9.855 0.430 1.00 0.00 C ATOM 1337 O LYS A 88 1.777 10.994 0.890 1.00 0.00 O ATOM 1338 CB LYS A 88 2.422 8.051 2.149 1.00 0.00 C ATOM 1339 CG LYS A 88 0.952 7.645 2.024 1.00 0.00 C ATOM 1340 CD LYS A 88 0.061 8.536 2.892 1.00 0.00 C ATOM 1341 CE LYS A 88 -1.087 7.732 3.505 1.00 0.00 C ATOM 1342 NZ LYS A 88 -2.262 8.602 3.739 1.00 0.00 N ATOM 0 H LYS A 88 4.041 10.255 1.968 1.00 0.00 H new ATOM 0 HA LYS A 88 3.027 8.131 0.134 1.00 0.00 H new ATOM 0 HB2 LYS A 88 3.042 7.160 2.249 1.00 0.00 H new ATOM 0 HB3 LYS A 88 2.564 8.641 3.054 1.00 0.00 H new ATOM 0 HG2 LYS A 88 0.639 7.716 0.982 1.00 0.00 H new ATOM 0 HG3 LYS A 88 0.832 6.604 2.323 1.00 0.00 H new ATOM 0 HD2 LYS A 88 0.656 8.989 3.685 1.00 0.00 H new ATOM 0 HD3 LYS A 88 -0.342 9.351 2.290 1.00 0.00 H new ATOM 0 HE2 LYS A 88 -1.360 6.913 2.840 1.00 0.00 H new ATOM 0 HE3 LYS A 88 -0.765 7.286 4.446 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 -2.414 8.713 4.762 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 -2.094 9.535 3.311 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 -3.105 8.170 3.309 1.00 0.00 H new ATOM 1356 N LYS A 89 1.011 9.388 -0.505 1.00 0.00 N ATOM 1357 CA LYS A 89 -0.034 10.223 -1.073 1.00 0.00 C ATOM 1358 C LYS A 89 -1.317 9.403 -1.213 1.00 0.00 C ATOM 1359 O LYS A 89 -1.280 8.174 -1.175 1.00 0.00 O ATOM 1360 CB LYS A 89 0.439 10.855 -2.384 1.00 0.00 C ATOM 1361 CG LYS A 89 1.104 12.210 -2.132 1.00 0.00 C ATOM 1362 CD LYS A 89 0.599 13.262 -3.121 1.00 0.00 C ATOM 1363 CE LYS A 89 1.053 12.937 -4.546 1.00 0.00 C ATOM 1364 NZ LYS A 89 0.225 13.666 -5.532 1.00 0.00 N ATOM 0 H LYS A 89 1.054 8.442 -0.884 1.00 0.00 H new ATOM 0 HA LYS A 89 -0.260 11.056 -0.408 1.00 0.00 H new ATOM 0 HB2 LYS A 89 1.143 10.187 -2.880 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -0.409 10.982 -3.057 1.00 0.00 H new ATOM 0 HG2 LYS A 89 0.898 12.536 -1.112 1.00 0.00 H new ATOM 0 HG3 LYS A 89 2.186 12.110 -2.222 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -0.489 13.309 -3.084 1.00 0.00 H new ATOM 0 HD3 LYS A 89 0.970 14.245 -2.833 1.00 0.00 H new ATOM 0 HE2 LYS A 89 2.101 13.208 -4.671 1.00 0.00 H new ATOM 0 HE3 LYS A 89 0.978 11.864 -4.722 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 0.546 13.434 -6.494 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -0.771 13.387 -5.423 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 0.317 14.690 -5.373 1.00 0.00 H new ATOM 1378 N VAL A 90 -2.423 10.116 -1.373 1.00 0.00 N ATOM 1379 CA VAL A 90 -3.716 9.469 -1.519 1.00 0.00 C ATOM 1380 C VAL A 90 -4.481 10.123 -2.672 1.00 0.00 C ATOM 1381 O VAL A 90 -4.491 11.346 -2.800 1.00 0.00 O ATOM 1382 CB VAL A 90 -4.477 9.516 -0.193 1.00 0.00 C ATOM 1383 CG1 VAL A 90 -5.947 9.139 -0.391 1.00 0.00 C ATOM 1384 CG2 VAL A 90 -3.816 8.614 0.851 1.00 0.00 C ATOM 0 H VAL A 90 -2.450 11.135 -1.405 1.00 0.00 H new ATOM 0 HA VAL A 90 -3.590 8.415 -1.769 1.00 0.00 H new ATOM 0 HB VAL A 90 -4.440 10.540 0.178 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -6.465 9.180 0.567 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -6.412 9.839 -1.086 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -6.012 8.129 -0.796 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -4.377 8.666 1.784 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -3.807 7.586 0.490 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -2.793 8.947 1.024 1.00 0.00 H new ATOM 1394 N LYS A 91 -5.103 9.278 -3.481 1.00 0.00 N ATOM 1395 CA LYS A 91 -5.869 9.759 -4.618 1.00 0.00 C ATOM 1396 C LYS A 91 -7.315 9.273 -4.496 1.00 0.00 C ATOM 1397 O LYS A 91 -7.632 8.472 -3.618 1.00 0.00 O ATOM 1398 CB LYS A 91 -5.193 9.352 -5.930 1.00 0.00 C ATOM 1399 CG LYS A 91 -4.241 8.175 -5.714 1.00 0.00 C ATOM 1400 CD LYS A 91 -3.679 7.672 -7.045 1.00 0.00 C ATOM 1401 CE LYS A 91 -2.829 8.749 -7.723 1.00 0.00 C ATOM 1402 NZ LYS A 91 -3.429 9.145 -9.017 1.00 0.00 N ATOM 0 H LYS A 91 -5.092 8.264 -3.372 1.00 0.00 H new ATOM 0 HA LYS A 91 -5.897 10.849 -4.624 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -5.951 9.081 -6.665 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -4.642 10.200 -6.338 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -3.423 8.480 -5.062 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -4.767 7.365 -5.208 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -3.075 6.780 -6.875 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -4.498 7.382 -7.703 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -2.747 9.619 -7.072 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -1.818 8.375 -7.884 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -2.840 9.876 -9.464 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -3.485 8.316 -9.642 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -4.385 9.522 -8.856 1.00 0.00 H new ATOM 1416 N THR A 92 -8.153 9.779 -5.389 1.00 0.00 N ATOM 1417 CA THR A 92 -9.557 9.407 -5.392 1.00 0.00 C ATOM 1418 C THR A 92 -9.706 7.884 -5.371 1.00 0.00 C ATOM 1419 O THR A 92 -9.265 7.202 -6.294 1.00 0.00 O ATOM 1420 CB THR A 92 -10.219 10.066 -6.604 1.00 0.00 C ATOM 1421 OG1 THR A 92 -9.939 11.454 -6.441 1.00 0.00 O ATOM 1422 CG2 THR A 92 -11.746 9.985 -6.554 1.00 0.00 C ATOM 0 H THR A 92 -7.886 10.444 -6.115 1.00 0.00 H new ATOM 0 HA THR A 92 -10.062 9.764 -4.494 1.00 0.00 H new ATOM 0 HB THR A 92 -9.860 9.590 -7.517 1.00 0.00 H new ATOM 0 HG1 THR A 92 -10.331 11.956 -7.186 1.00 0.00 H new ATOM 0 HG21 THR A 92 -12.165 10.467 -7.437 1.00 0.00 H new ATOM 0 HG22 THR A 92 -12.054 8.940 -6.531 1.00 0.00 H new ATOM 0 HG23 THR A 92 -12.108 10.490 -5.658 1.00 0.00 H new ATOM 1430 N ASP A 93 -10.328 7.397 -4.308 1.00 0.00 N ATOM 1431 CA ASP A 93 -10.541 5.968 -4.155 1.00 0.00 C ATOM 1432 C ASP A 93 -9.250 5.224 -4.507 1.00 0.00 C ATOM 1433 O ASP A 93 -9.292 4.147 -5.098 1.00 0.00 O ATOM 1434 CB ASP A 93 -11.643 5.471 -5.093 1.00 0.00 C ATOM 1435 CG ASP A 93 -11.413 5.770 -6.576 1.00 0.00 C ATOM 1436 OD1 ASP A 93 -10.534 5.100 -7.160 1.00 0.00 O ATOM 1437 OD2 ASP A 93 -12.123 6.660 -7.092 1.00 0.00 O ATOM 0 H ASP A 93 -10.692 7.967 -3.544 1.00 0.00 H new ATOM 0 HA ASP A 93 -10.835 5.780 -3.122 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -11.748 4.393 -4.967 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -12.588 5.921 -4.789 1.00 0.00 H new ATOM 1442 N THR A 94 -8.134 5.830 -4.128 1.00 0.00 N ATOM 1443 CA THR A 94 -6.834 5.239 -4.395 1.00 0.00 C ATOM 1444 C THR A 94 -5.788 5.790 -3.425 1.00 0.00 C ATOM 1445 O THR A 94 -5.845 6.958 -3.044 1.00 0.00 O ATOM 1446 CB THR A 94 -6.494 5.492 -5.865 1.00 0.00 C ATOM 1447 OG1 THR A 94 -7.463 4.732 -6.582 1.00 0.00 O ATOM 1448 CG2 THR A 94 -5.157 4.869 -6.272 1.00 0.00 C ATOM 0 H THR A 94 -8.104 6.724 -3.638 1.00 0.00 H new ATOM 0 HA THR A 94 -6.847 4.162 -4.230 1.00 0.00 H new ATOM 0 HB THR A 94 -6.466 6.566 -6.051 1.00 0.00 H new ATOM 0 HG1 THR A 94 -7.810 4.018 -6.007 1.00 0.00 H new ATOM 0 HG21 THR A 94 -4.964 5.078 -7.324 1.00 0.00 H new ATOM 0 HG22 THR A 94 -4.358 5.294 -5.665 1.00 0.00 H new ATOM 0 HG23 THR A 94 -5.196 3.791 -6.117 1.00 0.00 H new ATOM 1456 N VAL A 95 -4.856 4.924 -3.054 1.00 0.00 N ATOM 1457 CA VAL A 95 -3.799 5.310 -2.136 1.00 0.00 C ATOM 1458 C VAL A 95 -2.455 5.272 -2.868 1.00 0.00 C ATOM 1459 O VAL A 95 -2.089 4.251 -3.448 1.00 0.00 O ATOM 1460 CB VAL A 95 -3.829 4.415 -0.896 1.00 0.00 C ATOM 1461 CG1 VAL A 95 -3.693 2.940 -1.281 1.00 0.00 C ATOM 1462 CG2 VAL A 95 -2.745 4.823 0.102 1.00 0.00 C ATOM 0 H VAL A 95 -4.811 3.956 -3.373 1.00 0.00 H new ATOM 0 HA VAL A 95 -3.951 6.331 -1.787 1.00 0.00 H new ATOM 0 HB VAL A 95 -4.796 4.547 -0.411 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -3.717 2.325 -0.381 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -4.517 2.657 -1.936 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -2.747 2.785 -1.801 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -2.789 4.170 0.974 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -1.766 4.735 -0.368 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -2.907 5.855 0.413 1.00 0.00 H new ATOM 1472 N LEU A 96 -1.757 6.397 -2.816 1.00 0.00 N ATOM 1473 CA LEU A 96 -0.463 6.505 -3.466 1.00 0.00 C ATOM 1474 C LEU A 96 0.642 6.238 -2.442 1.00 0.00 C ATOM 1475 O LEU A 96 0.496 6.567 -1.266 1.00 0.00 O ATOM 1476 CB LEU A 96 -0.330 7.855 -4.175 1.00 0.00 C ATOM 1477 CG LEU A 96 -0.521 7.836 -5.693 1.00 0.00 C ATOM 1478 CD1 LEU A 96 0.009 9.124 -6.328 1.00 0.00 C ATOM 1479 CD2 LEU A 96 0.115 6.589 -6.311 1.00 0.00 C ATOM 0 H LEU A 96 -2.064 7.242 -2.333 1.00 0.00 H new ATOM 0 HA LEU A 96 -0.365 5.750 -4.246 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -1.059 8.542 -3.745 1.00 0.00 H new ATOM 0 HB3 LEU A 96 0.658 8.261 -3.958 1.00 0.00 H new ATOM 0 HG LEU A 96 -1.590 7.789 -5.902 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -0.139 9.085 -7.407 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -0.529 9.979 -5.919 1.00 0.00 H new ATOM 0 HD13 LEU A 96 1.072 9.226 -6.111 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -0.035 6.601 -7.391 1.00 0.00 H new ATOM 0 HD22 LEU A 96 1.183 6.579 -6.094 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -0.349 5.697 -5.890 1.00 0.00 H new ATOM 1491 N ILE A 97 1.722 5.643 -2.926 1.00 0.00 N ATOM 1492 CA ILE A 97 2.851 5.328 -2.067 1.00 0.00 C ATOM 1493 C ILE A 97 4.153 5.614 -2.818 1.00 0.00 C ATOM 1494 O ILE A 97 4.686 4.739 -3.499 1.00 0.00 O ATOM 1495 CB ILE A 97 2.744 3.893 -1.546 1.00 0.00 C ATOM 1496 CG1 ILE A 97 1.360 3.628 -0.949 1.00 0.00 C ATOM 1497 CG2 ILE A 97 3.866 3.585 -0.553 1.00 0.00 C ATOM 1498 CD1 ILE A 97 1.180 4.379 0.372 1.00 0.00 C ATOM 0 H ILE A 97 1.839 5.371 -3.902 1.00 0.00 H new ATOM 0 HA ILE A 97 2.846 5.965 -1.182 1.00 0.00 H new ATOM 0 HB ILE A 97 2.866 3.213 -2.389 1.00 0.00 H new ATOM 0 HG12 ILE A 97 0.590 3.938 -1.655 1.00 0.00 H new ATOM 0 HG13 ILE A 97 1.230 2.558 -0.784 1.00 0.00 H new ATOM 0 HG21 ILE A 97 3.766 2.559 -0.198 1.00 0.00 H new ATOM 0 HG22 ILE A 97 4.831 3.707 -1.045 1.00 0.00 H new ATOM 0 HG23 ILE A 97 3.801 4.269 0.293 1.00 0.00 H new ATOM 0 HD11 ILE A 97 0.188 4.174 0.775 1.00 0.00 H new ATOM 0 HD12 ILE A 97 1.937 4.049 1.084 1.00 0.00 H new ATOM 0 HD13 ILE A 97 1.287 5.450 0.199 1.00 0.00 H new ATOM 1510 N LEU A 98 4.628 6.841 -2.667 1.00 0.00 N ATOM 1511 CA LEU A 98 5.858 7.253 -3.322 1.00 0.00 C ATOM 1512 C LEU A 98 7.053 6.653 -2.579 1.00 0.00 C ATOM 1513 O LEU A 98 7.126 6.724 -1.353 1.00 0.00 O ATOM 1514 CB LEU A 98 5.914 8.777 -3.446 1.00 0.00 C ATOM 1515 CG LEU A 98 4.768 9.430 -4.222 1.00 0.00 C ATOM 1516 CD1 LEU A 98 4.262 10.682 -3.503 1.00 0.00 C ATOM 1517 CD2 LEU A 98 5.182 9.725 -5.665 1.00 0.00 C ATOM 0 H LEU A 98 4.184 7.564 -2.101 1.00 0.00 H new ATOM 0 HA LEU A 98 5.892 6.871 -4.342 1.00 0.00 H new ATOM 0 HB2 LEU A 98 5.936 9.203 -2.443 1.00 0.00 H new ATOM 0 HB3 LEU A 98 6.853 9.048 -3.928 1.00 0.00 H new ATOM 0 HG LEU A 98 3.938 8.725 -4.263 1.00 0.00 H new ATOM 0 HD11 LEU A 98 3.448 11.126 -4.076 1.00 0.00 H new ATOM 0 HD12 LEU A 98 3.902 10.411 -2.511 1.00 0.00 H new ATOM 0 HD13 LEU A 98 5.075 11.402 -3.410 1.00 0.00 H new ATOM 0 HD21 LEU A 98 4.350 10.189 -6.195 1.00 0.00 H new ATOM 0 HD22 LEU A 98 6.036 10.402 -5.667 1.00 0.00 H new ATOM 0 HD23 LEU A 98 5.455 8.795 -6.163 1.00 0.00 H new ATOM 1529 N CYS A 99 7.960 6.075 -3.352 1.00 0.00 N ATOM 1530 CA CYS A 99 9.149 5.462 -2.782 1.00 0.00 C ATOM 1531 C CYS A 99 10.376 6.194 -3.329 1.00 0.00 C ATOM 1532 O CYS A 99 10.680 6.101 -4.517 1.00 0.00 O ATOM 1533 CB CYS A 99 9.204 3.961 -3.070 1.00 0.00 C ATOM 1534 SG CYS A 99 7.726 3.135 -2.375 1.00 0.00 S ATOM 0 H CYS A 99 7.896 6.018 -4.368 1.00 0.00 H new ATOM 0 HA CYS A 99 9.126 5.556 -1.696 1.00 0.00 H new ATOM 0 HB2 CYS A 99 9.254 3.790 -4.145 1.00 0.00 H new ATOM 0 HB3 CYS A 99 10.108 3.532 -2.637 1.00 0.00 H new ATOM 0 HG CYS A 99 6.655 3.750 -2.780 1.00 0.00 H new ATOM 1540 N ARG A 100 11.047 6.906 -2.436 1.00 0.00 N ATOM 1541 CA ARG A 100 12.235 7.653 -2.814 1.00 0.00 C ATOM 1542 C ARG A 100 13.342 6.698 -3.265 1.00 0.00 C ATOM 1543 O ARG A 100 14.005 6.076 -2.437 1.00 0.00 O ATOM 1544 CB ARG A 100 12.746 8.502 -1.648 1.00 0.00 C ATOM 1545 CG ARG A 100 13.265 9.854 -2.140 1.00 0.00 C ATOM 1546 CD ARG A 100 12.348 10.434 -3.220 1.00 0.00 C ATOM 1547 NE ARG A 100 10.932 10.196 -2.861 1.00 0.00 N ATOM 1548 CZ ARG A 100 9.908 10.933 -3.315 1.00 0.00 C ATOM 1549 NH1 ARG A 100 10.138 11.957 -4.147 1.00 0.00 N ATOM 1550 NH2 ARG A 100 8.656 10.644 -2.936 1.00 0.00 N ATOM 0 H ARG A 100 10.791 6.982 -1.452 1.00 0.00 H new ATOM 0 HA ARG A 100 11.963 8.313 -3.637 1.00 0.00 H new ATOM 0 HB2 ARG A 100 11.943 8.657 -0.927 1.00 0.00 H new ATOM 0 HB3 ARG A 100 13.543 7.970 -1.128 1.00 0.00 H new ATOM 0 HG2 ARG A 100 13.331 10.549 -1.303 1.00 0.00 H new ATOM 0 HG3 ARG A 100 14.273 9.738 -2.538 1.00 0.00 H new ATOM 0 HD2 ARG A 100 12.530 11.503 -3.328 1.00 0.00 H new ATOM 0 HD3 ARG A 100 12.570 9.974 -4.183 1.00 0.00 H new ATOM 0 HE ARG A 100 10.722 9.423 -2.229 1.00 0.00 H new ATOM 0 HH11 ARG A 100 11.092 12.176 -4.435 1.00 0.00 H new ATOM 0 HH12 ARG A 100 9.359 12.518 -4.493 1.00 0.00 H new ATOM 0 HH21 ARG A 100 8.482 9.864 -2.302 1.00 0.00 H new ATOM 0 HH22 ARG A 100 7.877 11.204 -3.281 1.00 0.00 H new ATOM 1564 N LYS A 101 13.507 6.613 -4.577 1.00 0.00 N ATOM 1565 CA LYS A 101 14.522 5.744 -5.148 1.00 0.00 C ATOM 1566 C LYS A 101 15.882 6.083 -4.533 1.00 0.00 C ATOM 1567 O LYS A 101 16.242 7.254 -4.421 1.00 0.00 O ATOM 1568 CB LYS A 101 14.500 5.827 -6.676 1.00 0.00 C ATOM 1569 CG LYS A 101 13.621 4.725 -7.272 1.00 0.00 C ATOM 1570 CD LYS A 101 14.130 4.304 -8.652 1.00 0.00 C ATOM 1571 CE LYS A 101 13.896 2.811 -8.891 1.00 0.00 C ATOM 1572 NZ LYS A 101 12.946 2.608 -10.007 1.00 0.00 N ATOM 0 H LYS A 101 12.955 7.131 -5.261 1.00 0.00 H new ATOM 0 HA LYS A 101 14.313 4.702 -4.905 1.00 0.00 H new ATOM 0 HB2 LYS A 101 14.126 6.803 -6.985 1.00 0.00 H new ATOM 0 HB3 LYS A 101 15.515 5.737 -7.063 1.00 0.00 H new ATOM 0 HG2 LYS A 101 13.611 3.863 -6.605 1.00 0.00 H new ATOM 0 HG3 LYS A 101 12.593 5.078 -7.352 1.00 0.00 H new ATOM 0 HD2 LYS A 101 13.622 4.883 -9.423 1.00 0.00 H new ATOM 0 HD3 LYS A 101 15.194 4.527 -8.735 1.00 0.00 H new ATOM 0 HE2 LYS A 101 14.843 2.320 -9.117 1.00 0.00 H new ATOM 0 HE3 LYS A 101 13.506 2.348 -7.985 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 12.402 1.736 -9.846 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 12.295 3.417 -10.060 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 13.472 2.528 -10.900 1.00 0.00 H new ATOM 1585 N LYS A 102 16.600 5.037 -4.152 1.00 0.00 N ATOM 1586 CA LYS A 102 17.912 5.210 -3.552 1.00 0.00 C ATOM 1587 C LYS A 102 18.928 5.551 -4.644 1.00 0.00 C ATOM 1588 O LYS A 102 19.882 6.287 -4.401 1.00 0.00 O ATOM 1589 CB LYS A 102 18.289 3.979 -2.725 1.00 0.00 C ATOM 1590 CG LYS A 102 19.162 4.367 -1.530 1.00 0.00 C ATOM 1591 CD LYS A 102 20.276 3.341 -1.308 1.00 0.00 C ATOM 1592 CE LYS A 102 21.334 3.433 -2.409 1.00 0.00 C ATOM 1593 NZ LYS A 102 22.340 2.359 -2.253 1.00 0.00 N ATOM 0 H LYS A 102 16.298 4.067 -4.247 1.00 0.00 H new ATOM 0 HA LYS A 102 17.903 6.046 -2.853 1.00 0.00 H new ATOM 0 HB2 LYS A 102 17.385 3.482 -2.373 1.00 0.00 H new ATOM 0 HB3 LYS A 102 18.822 3.264 -3.352 1.00 0.00 H new ATOM 0 HG2 LYS A 102 19.598 5.352 -1.698 1.00 0.00 H new ATOM 0 HG3 LYS A 102 18.546 4.440 -0.634 1.00 0.00 H new ATOM 0 HD2 LYS A 102 20.741 3.509 -0.337 1.00 0.00 H new ATOM 0 HD3 LYS A 102 19.852 2.337 -1.289 1.00 0.00 H new ATOM 0 HE2 LYS A 102 20.858 3.354 -3.386 1.00 0.00 H new ATOM 0 HE3 LYS A 102 21.824 4.406 -2.371 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 23.050 2.436 -3.009 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 22.807 2.452 -1.328 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 21.871 1.433 -2.313 1.00 0.00 H new ATOM 1607 N VAL A 103 18.687 4.999 -5.824 1.00 0.00 N ATOM 1608 CA VAL A 103 19.568 5.235 -6.955 1.00 0.00 C ATOM 1609 C VAL A 103 18.729 5.411 -8.222 1.00 0.00 C ATOM 1610 O VAL A 103 17.849 4.600 -8.506 1.00 0.00 O ATOM 1611 CB VAL A 103 20.590 4.102 -7.067 1.00 0.00 C ATOM 1612 CG1 VAL A 103 21.337 4.168 -8.401 1.00 0.00 C ATOM 1613 CG2 VAL A 103 21.567 4.127 -5.890 1.00 0.00 C ATOM 0 H VAL A 103 17.894 4.389 -6.021 1.00 0.00 H new ATOM 0 HA VAL A 103 20.136 6.154 -6.811 1.00 0.00 H new ATOM 0 HB VAL A 103 20.048 3.157 -7.033 1.00 0.00 H new ATOM 0 HG11 VAL A 103 22.057 3.352 -8.455 1.00 0.00 H new ATOM 0 HG12 VAL A 103 20.625 4.079 -9.221 1.00 0.00 H new ATOM 0 HG13 VAL A 103 21.861 5.120 -8.478 1.00 0.00 H new ATOM 0 HG21 VAL A 103 22.283 3.312 -5.994 1.00 0.00 H new ATOM 0 HG22 VAL A 103 22.099 5.078 -5.879 1.00 0.00 H new ATOM 0 HG23 VAL A 103 21.016 4.009 -4.957 1.00 0.00 H new ATOM 1623 N GLU A 104 19.030 6.476 -8.950 1.00 0.00 N ATOM 1624 CA GLU A 104 18.315 6.769 -10.180 1.00 0.00 C ATOM 1625 C GLU A 104 18.786 5.841 -11.302 1.00 0.00 C ATOM 1626 O GLU A 104 19.773 5.124 -11.146 1.00 0.00 O ATOM 1627 CB GLU A 104 18.483 8.237 -10.576 1.00 0.00 C ATOM 1628 CG GLU A 104 18.251 9.159 -9.377 1.00 0.00 C ATOM 1629 CD GLU A 104 19.571 9.498 -8.683 1.00 0.00 C ATOM 1630 OE1 GLU A 104 20.493 9.940 -9.402 1.00 0.00 O ATOM 1631 OE2 GLU A 104 19.629 9.308 -7.449 1.00 0.00 O ATOM 0 H GLU A 104 19.760 7.147 -8.711 1.00 0.00 H new ATOM 0 HA GLU A 104 17.253 6.592 -10.010 1.00 0.00 H new ATOM 0 HB2 GLU A 104 19.485 8.397 -10.974 1.00 0.00 H new ATOM 0 HB3 GLU A 104 17.780 8.485 -11.371 1.00 0.00 H new ATOM 0 HG2 GLU A 104 17.764 10.076 -9.708 1.00 0.00 H new ATOM 0 HG3 GLU A 104 17.577 8.678 -8.669 1.00 0.00 H new ATOM 1638 N ASN A 105 18.058 5.886 -12.408 1.00 0.00 N ATOM 1639 CA ASN A 105 18.390 5.058 -13.556 1.00 0.00 C ATOM 1640 C ASN A 105 18.446 3.592 -13.122 1.00 0.00 C ATOM 1641 O ASN A 105 19.390 2.878 -13.457 1.00 0.00 O ATOM 1642 CB ASN A 105 19.757 5.434 -14.130 1.00 0.00 C ATOM 1643 CG ASN A 105 19.831 5.115 -15.624 1.00 0.00 C ATOM 1644 OD1 ASN A 105 19.352 4.095 -16.092 1.00 0.00 O ATOM 1645 ND2 ASN A 105 20.455 6.042 -16.345 1.00 0.00 N ATOM 0 H ASN A 105 17.240 6.482 -12.534 1.00 0.00 H new ATOM 0 HA ASN A 105 17.625 5.214 -14.317 1.00 0.00 H new ATOM 0 HB2 ASN A 105 19.942 6.496 -13.972 1.00 0.00 H new ATOM 0 HB3 ASN A 105 20.540 4.892 -13.600 1.00 0.00 H new ATOM 0 HD21 ASN A 105 20.555 5.922 -17.353 1.00 0.00 H new ATOM 0 HD22 ASN A 105 20.833 6.873 -15.890 1.00 0.00 H new ATOM 1652 N THR A 106 17.423 3.187 -12.384 1.00 0.00 N ATOM 1653 CA THR A 106 17.345 1.818 -11.901 1.00 0.00 C ATOM 1654 C THR A 106 15.974 1.218 -12.221 1.00 0.00 C ATOM 1655 O THR A 106 14.946 1.761 -11.821 1.00 0.00 O ATOM 1656 CB THR A 106 17.671 1.825 -10.406 1.00 0.00 C ATOM 1657 OG1 THR A 106 19.083 2.010 -10.360 1.00 0.00 O ATOM 1658 CG2 THR A 106 17.452 0.459 -9.753 1.00 0.00 C ATOM 0 H THR A 106 16.642 3.782 -12.109 1.00 0.00 H new ATOM 0 HA THR A 106 18.071 1.179 -12.404 1.00 0.00 H new ATOM 0 HB THR A 106 17.055 2.570 -9.903 1.00 0.00 H new ATOM 0 HG1 THR A 106 19.299 2.937 -10.595 1.00 0.00 H new ATOM 0 HG21 THR A 106 17.698 0.519 -8.693 1.00 0.00 H new ATOM 0 HG22 THR A 106 16.409 0.164 -9.868 1.00 0.00 H new ATOM 0 HG23 THR A 106 18.093 -0.281 -10.233 1.00 0.00 H new ATOM 1666 N ARG A 107 16.005 0.105 -12.939 1.00 0.00 N ATOM 1667 CA ARG A 107 14.778 -0.575 -13.317 1.00 0.00 C ATOM 1668 C ARG A 107 14.354 -1.555 -12.222 1.00 0.00 C ATOM 1669 O ARG A 107 15.197 -2.090 -11.503 1.00 0.00 O ATOM 1670 CB ARG A 107 14.953 -1.337 -14.633 1.00 0.00 C ATOM 1671 CG ARG A 107 13.602 -1.589 -15.305 1.00 0.00 C ATOM 1672 CD ARG A 107 13.458 -0.752 -16.578 1.00 0.00 C ATOM 1673 NE ARG A 107 12.196 0.020 -16.535 1.00 0.00 N ATOM 1674 CZ ARG A 107 11.618 0.574 -17.610 1.00 0.00 C ATOM 1675 NH1 ARG A 107 12.185 0.445 -18.817 1.00 0.00 N ATOM 1676 NH2 ARG A 107 10.473 1.258 -17.477 1.00 0.00 N ATOM 0 H ARG A 107 16.860 -0.343 -13.269 1.00 0.00 H new ATOM 0 HA ARG A 107 14.007 0.184 -13.449 1.00 0.00 H new ATOM 0 HB2 ARG A 107 15.596 -0.768 -15.304 1.00 0.00 H new ATOM 0 HB3 ARG A 107 15.452 -2.287 -14.443 1.00 0.00 H new ATOM 0 HG2 ARG A 107 13.505 -2.647 -15.548 1.00 0.00 H new ATOM 0 HG3 ARG A 107 12.796 -1.346 -14.612 1.00 0.00 H new ATOM 0 HD2 ARG A 107 14.306 -0.074 -16.675 1.00 0.00 H new ATOM 0 HD3 ARG A 107 13.467 -1.401 -17.453 1.00 0.00 H new ATOM 0 HE ARG A 107 11.738 0.138 -15.631 1.00 0.00 H new ATOM 0 HH11 ARG A 107 13.057 -0.075 -18.918 1.00 0.00 H new ATOM 0 HH12 ARG A 107 11.745 0.867 -19.635 1.00 0.00 H new ATOM 0 HH21 ARG A 107 10.042 1.357 -16.558 1.00 0.00 H new ATOM 0 HH22 ARG A 107 10.033 1.680 -18.295 1.00 0.00 H new ATOM 1690 N TRP A 108 13.049 -1.761 -12.128 1.00 0.00 N ATOM 1691 CA TRP A 108 12.504 -2.668 -11.132 1.00 0.00 C ATOM 1692 C TRP A 108 11.772 -3.793 -11.867 1.00 0.00 C ATOM 1693 O TRP A 108 10.636 -3.616 -12.305 1.00 0.00 O ATOM 1694 CB TRP A 108 11.610 -1.920 -10.141 1.00 0.00 C ATOM 1695 CG TRP A 108 12.380 -1.150 -9.066 1.00 0.00 C ATOM 1696 CD1 TRP A 108 13.532 -0.478 -9.198 1.00 0.00 C ATOM 1697 CD2 TRP A 108 12.004 -1.000 -7.681 1.00 0.00 C ATOM 1698 NE1 TRP A 108 13.924 0.092 -8.004 1.00 0.00 N ATOM 1699 CE2 TRP A 108 12.966 -0.235 -7.052 1.00 0.00 C ATOM 1700 CE3 TRP A 108 10.888 -1.493 -6.982 1.00 0.00 C ATOM 1701 CZ2 TRP A 108 12.909 0.104 -5.695 1.00 0.00 C ATOM 1702 CZ3 TRP A 108 10.846 -1.145 -5.627 1.00 0.00 C ATOM 1703 CH2 TRP A 108 11.806 -0.377 -4.979 1.00 0.00 C ATOM 0 H TRP A 108 12.353 -1.315 -12.725 1.00 0.00 H new ATOM 0 HA TRP A 108 13.301 -3.106 -10.531 1.00 0.00 H new ATOM 0 HB2 TRP A 108 10.979 -1.222 -10.692 1.00 0.00 H new ATOM 0 HB3 TRP A 108 10.946 -2.635 -9.656 1.00 0.00 H new ATOM 0 HD1 TRP A 108 14.084 -0.393 -10.122 1.00 0.00 H new ATOM 0 HE1 TRP A 108 14.763 0.651 -7.849 1.00 0.00 H new ATOM 0 HE3 TRP A 108 10.124 -2.093 -7.453 1.00 0.00 H new ATOM 0 HZ2 TRP A 108 13.674 0.704 -5.226 1.00 0.00 H new ATOM 0 HZ3 TRP A 108 10.008 -1.498 -5.044 1.00 0.00 H new ATOM 0 HH2 TRP A 108 11.702 -0.152 -3.928 1.00 0.00 H new ATOM 1714 N ASP A 109 12.452 -4.924 -11.978 1.00 0.00 N ATOM 1715 CA ASP A 109 11.880 -6.078 -12.652 1.00 0.00 C ATOM 1716 C ASP A 109 10.721 -6.628 -11.818 1.00 0.00 C ATOM 1717 O ASP A 109 9.870 -7.351 -12.333 1.00 0.00 O ATOM 1718 CB ASP A 109 12.917 -7.191 -12.813 1.00 0.00 C ATOM 1719 CG ASP A 109 13.742 -7.125 -14.100 1.00 0.00 C ATOM 1720 OD1 ASP A 109 13.171 -7.466 -15.158 1.00 0.00 O ATOM 1721 OD2 ASP A 109 14.925 -6.735 -13.996 1.00 0.00 O ATOM 0 H ASP A 109 13.394 -5.067 -11.613 1.00 0.00 H new ATOM 0 HA ASP A 109 11.538 -5.759 -13.636 1.00 0.00 H new ATOM 0 HB2 ASP A 109 13.597 -7.160 -11.962 1.00 0.00 H new ATOM 0 HB3 ASP A 109 12.405 -8.152 -12.777 1.00 0.00 H new ATOM 1726 N TYR A 110 10.727 -6.265 -10.544 1.00 0.00 N ATOM 1727 CA TYR A 110 9.687 -6.713 -9.633 1.00 0.00 C ATOM 1728 C TYR A 110 9.445 -5.684 -8.527 1.00 0.00 C ATOM 1729 O TYR A 110 10.361 -4.962 -8.135 1.00 0.00 O ATOM 1730 CB TYR A 110 10.206 -8.007 -9.004 1.00 0.00 C ATOM 1731 CG TYR A 110 10.468 -9.128 -10.012 1.00 0.00 C ATOM 1732 CD1 TYR A 110 9.416 -9.697 -10.701 1.00 0.00 C ATOM 1733 CD2 TYR A 110 11.757 -9.569 -10.233 1.00 0.00 C ATOM 1734 CE1 TYR A 110 9.663 -10.752 -11.650 1.00 0.00 C ATOM 1735 CE2 TYR A 110 12.004 -10.624 -11.182 1.00 0.00 C ATOM 1736 CZ TYR A 110 10.945 -11.163 -11.844 1.00 0.00 C ATOM 1737 OH TYR A 110 11.178 -12.159 -12.740 1.00 0.00 O ATOM 0 H TYR A 110 11.436 -5.666 -10.121 1.00 0.00 H new ATOM 0 HA TYR A 110 8.746 -6.854 -10.165 1.00 0.00 H new ATOM 0 HB2 TYR A 110 11.130 -7.793 -8.467 1.00 0.00 H new ATOM 0 HB3 TYR A 110 9.482 -8.356 -8.267 1.00 0.00 H new ATOM 0 HD1 TYR A 110 8.408 -9.351 -10.529 1.00 0.00 H new ATOM 0 HD2 TYR A 110 12.580 -9.123 -9.695 1.00 0.00 H new ATOM 0 HE1 TYR A 110 8.849 -11.206 -12.195 1.00 0.00 H new ATOM 0 HE2 TYR A 110 13.008 -10.979 -11.364 1.00 0.00 H new ATOM 0 HH TYR A 110 12.139 -12.348 -12.776 1.00 0.00 H new ATOM 1747 N LEU A 111 8.207 -5.648 -8.056 1.00 0.00 N ATOM 1748 CA LEU A 111 7.833 -4.719 -7.004 1.00 0.00 C ATOM 1749 C LEU A 111 8.710 -4.968 -5.775 1.00 0.00 C ATOM 1750 O LEU A 111 9.102 -4.027 -5.087 1.00 0.00 O ATOM 1751 CB LEU A 111 6.333 -4.809 -6.718 1.00 0.00 C ATOM 1752 CG LEU A 111 5.726 -3.636 -5.946 1.00 0.00 C ATOM 1753 CD1 LEU A 111 5.510 -3.999 -4.475 1.00 0.00 C ATOM 1754 CD2 LEU A 111 6.578 -2.375 -6.105 1.00 0.00 C ATOM 0 H LEU A 111 7.450 -6.248 -8.384 1.00 0.00 H new ATOM 0 HA LEU A 111 8.012 -3.692 -7.321 1.00 0.00 H new ATOM 0 HB2 LEU A 111 5.807 -4.904 -7.668 1.00 0.00 H new ATOM 0 HB3 LEU A 111 6.145 -5.724 -6.157 1.00 0.00 H new ATOM 0 HG LEU A 111 4.746 -3.419 -6.371 1.00 0.00 H new ATOM 0 HD11 LEU A 111 5.078 -3.147 -3.950 1.00 0.00 H new ATOM 0 HD12 LEU A 111 4.832 -4.850 -4.406 1.00 0.00 H new ATOM 0 HD13 LEU A 111 6.466 -4.259 -4.020 1.00 0.00 H new ATOM 0 HD21 LEU A 111 6.124 -1.556 -5.546 1.00 0.00 H new ATOM 0 HD22 LEU A 111 7.581 -2.563 -5.722 1.00 0.00 H new ATOM 0 HD23 LEU A 111 6.636 -2.106 -7.160 1.00 0.00 H new ATOM 1766 N THR A 112 8.991 -6.241 -5.536 1.00 0.00 N ATOM 1767 CA THR A 112 9.814 -6.626 -4.402 1.00 0.00 C ATOM 1768 C THR A 112 10.984 -7.496 -4.863 1.00 0.00 C ATOM 1769 O THR A 112 10.934 -8.092 -5.938 1.00 0.00 O ATOM 1770 CB THR A 112 8.912 -7.315 -3.376 1.00 0.00 C ATOM 1771 OG1 THR A 112 8.138 -8.227 -4.151 1.00 0.00 O ATOM 1772 CG2 THR A 112 7.875 -6.363 -2.775 1.00 0.00 C ATOM 0 H THR A 112 8.663 -7.019 -6.109 1.00 0.00 H new ATOM 0 HA THR A 112 10.265 -5.755 -3.927 1.00 0.00 H new ATOM 0 HB THR A 112 9.525 -7.735 -2.578 1.00 0.00 H new ATOM 0 HG1 THR A 112 7.526 -8.718 -3.564 1.00 0.00 H new ATOM 0 HG21 THR A 112 7.261 -6.902 -2.053 1.00 0.00 H new ATOM 0 HG22 THR A 112 8.384 -5.539 -2.275 1.00 0.00 H new ATOM 0 HG23 THR A 112 7.240 -5.969 -3.568 1.00 0.00 H new ATOM 1780 N GLN A 113 12.012 -7.542 -4.027 1.00 0.00 N ATOM 1781 CA GLN A 113 13.193 -8.329 -4.336 1.00 0.00 C ATOM 1782 C GLN A 113 12.857 -9.821 -4.316 1.00 0.00 C ATOM 1783 O GLN A 113 13.366 -10.587 -5.133 1.00 0.00 O ATOM 1784 CB GLN A 113 14.333 -8.011 -3.366 1.00 0.00 C ATOM 1785 CG GLN A 113 15.316 -9.179 -3.274 1.00 0.00 C ATOM 1786 CD GLN A 113 16.552 -8.792 -2.459 1.00 0.00 C ATOM 1787 OE1 GLN A 113 16.520 -8.695 -1.243 1.00 0.00 O ATOM 1788 NE2 GLN A 113 17.639 -8.577 -3.194 1.00 0.00 N ATOM 0 H GLN A 113 12.051 -7.047 -3.136 1.00 0.00 H new ATOM 0 HA GLN A 113 13.529 -8.066 -5.339 1.00 0.00 H new ATOM 0 HB2 GLN A 113 14.858 -7.115 -3.697 1.00 0.00 H new ATOM 0 HB3 GLN A 113 13.925 -7.795 -2.378 1.00 0.00 H new ATOM 0 HG2 GLN A 113 14.826 -10.036 -2.813 1.00 0.00 H new ATOM 0 HG3 GLN A 113 15.618 -9.485 -4.276 1.00 0.00 H new ATOM 0 HE21 GLN A 113 17.597 -8.676 -4.208 1.00 0.00 H new ATOM 0 HE22 GLN A 113 18.515 -8.313 -2.743 1.00 0.00 H new ATOM 1797 N VAL A 114 12.000 -10.190 -3.375 1.00 0.00 N ATOM 1798 CA VAL A 114 11.590 -11.577 -3.238 1.00 0.00 C ATOM 1799 C VAL A 114 11.308 -12.160 -4.624 1.00 0.00 C ATOM 1800 O VAL A 114 11.956 -13.119 -5.041 1.00 0.00 O ATOM 1801 CB VAL A 114 10.391 -11.677 -2.292 1.00 0.00 C ATOM 1802 CG1 VAL A 114 9.298 -10.682 -2.686 1.00 0.00 C ATOM 1803 CG2 VAL A 114 9.844 -13.105 -2.250 1.00 0.00 C ATOM 0 H VAL A 114 11.578 -9.552 -2.700 1.00 0.00 H new ATOM 0 HA VAL A 114 12.389 -12.170 -2.792 1.00 0.00 H new ATOM 0 HB VAL A 114 10.732 -11.420 -1.289 1.00 0.00 H new ATOM 0 HG11 VAL A 114 8.457 -10.774 -1.998 1.00 0.00 H new ATOM 0 HG12 VAL A 114 9.695 -9.668 -2.640 1.00 0.00 H new ATOM 0 HG13 VAL A 114 8.961 -10.894 -3.701 1.00 0.00 H new ATOM 0 HG21 VAL A 114 8.993 -13.149 -1.571 1.00 0.00 H new ATOM 0 HG22 VAL A 114 9.526 -13.402 -3.249 1.00 0.00 H new ATOM 0 HG23 VAL A 114 10.623 -13.783 -1.900 1.00 0.00 H new ATOM 1813 N GLU A 115 10.341 -11.557 -5.299 1.00 0.00 N ATOM 1814 CA GLU A 115 9.965 -12.004 -6.629 1.00 0.00 C ATOM 1815 C GLU A 115 11.207 -12.420 -7.420 1.00 0.00 C ATOM 1816 O GLU A 115 11.199 -13.441 -8.105 1.00 0.00 O ATOM 1817 CB GLU A 115 9.180 -10.921 -7.371 1.00 0.00 C ATOM 1818 CG GLU A 115 7.822 -11.450 -7.838 1.00 0.00 C ATOM 1819 CD GLU A 115 6.706 -11.009 -6.888 1.00 0.00 C ATOM 1820 OE1 GLU A 115 6.816 -11.343 -5.689 1.00 0.00 O ATOM 1821 OE2 GLU A 115 5.768 -10.348 -7.384 1.00 0.00 O ATOM 0 H GLU A 115 9.806 -10.762 -4.949 1.00 0.00 H new ATOM 0 HA GLU A 115 9.314 -12.873 -6.528 1.00 0.00 H new ATOM 0 HB2 GLU A 115 9.034 -10.061 -6.718 1.00 0.00 H new ATOM 0 HB3 GLU A 115 9.754 -10.575 -8.230 1.00 0.00 H new ATOM 0 HG2 GLU A 115 7.613 -11.087 -8.844 1.00 0.00 H new ATOM 0 HG3 GLU A 115 7.850 -12.538 -7.891 1.00 0.00 H new ATOM 1828 N LYS A 116 12.246 -11.606 -7.299 1.00 0.00 N ATOM 1829 CA LYS A 116 13.493 -11.876 -7.993 1.00 0.00 C ATOM 1830 C LYS A 116 14.075 -13.200 -7.493 1.00 0.00 C ATOM 1831 O LYS A 116 14.295 -14.121 -8.277 1.00 0.00 O ATOM 1832 CB LYS A 116 14.452 -10.692 -7.854 1.00 0.00 C ATOM 1833 CG LYS A 116 15.679 -10.871 -8.750 1.00 0.00 C ATOM 1834 CD LYS A 116 15.464 -10.212 -10.113 1.00 0.00 C ATOM 1835 CE LYS A 116 16.033 -11.079 -11.238 1.00 0.00 C ATOM 1836 NZ LYS A 116 15.941 -10.373 -12.535 1.00 0.00 N ATOM 0 H LYS A 116 12.249 -10.759 -6.730 1.00 0.00 H new ATOM 0 HA LYS A 116 13.316 -11.989 -9.063 1.00 0.00 H new ATOM 0 HB2 LYS A 116 13.936 -9.769 -8.118 1.00 0.00 H new ATOM 0 HB3 LYS A 116 14.767 -10.595 -6.815 1.00 0.00 H new ATOM 0 HG2 LYS A 116 16.554 -10.436 -8.266 1.00 0.00 H new ATOM 0 HG3 LYS A 116 15.884 -11.933 -8.884 1.00 0.00 H new ATOM 0 HD2 LYS A 116 14.399 -10.049 -10.278 1.00 0.00 H new ATOM 0 HD3 LYS A 116 15.942 -9.233 -10.127 1.00 0.00 H new ATOM 0 HE2 LYS A 116 17.073 -11.325 -11.024 1.00 0.00 H new ATOM 0 HE3 LYS A 116 15.487 -12.021 -11.291 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 16.332 -10.976 -13.287 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 14.945 -10.160 -12.744 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 16.482 -9.486 -12.487 1.00 0.00 H new ATOM 1850 N GLU A 117 14.307 -13.252 -6.189 1.00 0.00 N ATOM 1851 CA GLU A 117 14.858 -14.448 -5.575 1.00 0.00 C ATOM 1852 C GLU A 117 13.879 -15.615 -5.711 1.00 0.00 C ATOM 1853 O GLU A 117 14.243 -16.766 -5.477 1.00 0.00 O ATOM 1854 CB GLU A 117 15.211 -14.197 -4.108 1.00 0.00 C ATOM 1855 CG GLU A 117 14.060 -14.610 -3.188 1.00 0.00 C ATOM 1856 CD GLU A 117 14.398 -14.322 -1.724 1.00 0.00 C ATOM 1857 OE1 GLU A 117 14.708 -13.147 -1.433 1.00 0.00 O ATOM 1858 OE2 GLU A 117 14.338 -15.284 -0.928 1.00 0.00 O ATOM 0 H GLU A 117 14.123 -12.486 -5.541 1.00 0.00 H new ATOM 0 HA GLU A 117 15.778 -14.710 -6.097 1.00 0.00 H new ATOM 0 HB2 GLU A 117 16.109 -14.756 -3.846 1.00 0.00 H new ATOM 0 HB3 GLU A 117 15.438 -13.141 -3.961 1.00 0.00 H new ATOM 0 HG2 GLU A 117 13.155 -14.072 -3.469 1.00 0.00 H new ATOM 0 HG3 GLU A 117 13.852 -15.672 -3.315 1.00 0.00 H new ATOM 1865 N CYS A 118 12.655 -15.278 -6.091 1.00 0.00 N ATOM 1866 CA CYS A 118 11.620 -16.283 -6.261 1.00 0.00 C ATOM 1867 C CYS A 118 11.691 -16.807 -7.697 1.00 0.00 C ATOM 1868 O CYS A 118 11.866 -18.005 -7.916 1.00 0.00 O ATOM 1869 CB CYS A 118 10.234 -15.731 -5.923 1.00 0.00 C ATOM 1870 SG CYS A 118 9.928 -15.866 -4.124 1.00 0.00 S ATOM 0 H CYS A 118 12.357 -14.322 -6.286 1.00 0.00 H new ATOM 0 HA CYS A 118 11.790 -17.105 -5.566 1.00 0.00 H new ATOM 0 HB2 CYS A 118 10.162 -14.689 -6.235 1.00 0.00 H new ATOM 0 HB3 CYS A 118 9.470 -16.282 -6.472 1.00 0.00 H new ATOM 0 HG CYS A 118 8.749 -15.392 -3.848 1.00 0.00 H new ATOM 1876 N LYS A 119 11.552 -15.884 -8.637 1.00 0.00 N ATOM 1877 CA LYS A 119 11.599 -16.238 -10.046 1.00 0.00 C ATOM 1878 C LYS A 119 12.978 -16.812 -10.378 1.00 0.00 C ATOM 1879 O LYS A 119 13.082 -17.842 -11.042 1.00 0.00 O ATOM 1880 CB LYS A 119 11.206 -15.040 -10.913 1.00 0.00 C ATOM 1881 CG LYS A 119 9.695 -15.008 -11.152 1.00 0.00 C ATOM 1882 CD LYS A 119 8.953 -14.524 -9.904 1.00 0.00 C ATOM 1883 CE LYS A 119 7.439 -14.542 -10.126 1.00 0.00 C ATOM 1884 NZ LYS A 119 6.783 -15.435 -9.145 1.00 0.00 N ATOM 0 H LYS A 119 11.407 -14.892 -8.451 1.00 0.00 H new ATOM 0 HA LYS A 119 10.868 -17.016 -10.268 1.00 0.00 H new ATOM 0 HB2 LYS A 119 11.521 -14.116 -10.427 1.00 0.00 H new ATOM 0 HB3 LYS A 119 11.728 -15.091 -11.869 1.00 0.00 H new ATOM 0 HG2 LYS A 119 9.470 -14.350 -11.991 1.00 0.00 H new ATOM 0 HG3 LYS A 119 9.345 -16.004 -11.424 1.00 0.00 H new ATOM 0 HD2 LYS A 119 9.208 -15.159 -9.056 1.00 0.00 H new ATOM 0 HD3 LYS A 119 9.276 -13.513 -9.653 1.00 0.00 H new ATOM 0 HE2 LYS A 119 7.039 -13.532 -10.032 1.00 0.00 H new ATOM 0 HE3 LYS A 119 7.218 -14.879 -11.139 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 5.756 -15.436 -9.309 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 7.152 -16.401 -9.254 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 6.979 -15.096 -8.182 1.00 0.00 H new ATOM 1898 N GLU A 120 14.002 -16.120 -9.900 1.00 0.00 N ATOM 1899 CA GLU A 120 15.370 -16.548 -10.138 1.00 0.00 C ATOM 1900 C GLU A 120 15.857 -17.433 -8.988 1.00 0.00 C ATOM 1901 O GLU A 120 16.460 -16.941 -8.035 1.00 0.00 O ATOM 1902 CB GLU A 120 16.294 -15.345 -10.334 1.00 0.00 C ATOM 1903 CG GLU A 120 16.344 -14.926 -11.805 1.00 0.00 C ATOM 1904 CD GLU A 120 17.508 -15.606 -12.529 1.00 0.00 C ATOM 1905 OE1 GLU A 120 18.660 -15.357 -12.112 1.00 0.00 O ATOM 1906 OE2 GLU A 120 17.220 -16.360 -13.484 1.00 0.00 O ATOM 0 H GLU A 120 13.912 -15.266 -9.349 1.00 0.00 H new ATOM 0 HA GLU A 120 15.392 -17.135 -11.056 1.00 0.00 H new ATOM 0 HB2 GLU A 120 15.944 -14.511 -9.726 1.00 0.00 H new ATOM 0 HB3 GLU A 120 17.298 -15.593 -9.988 1.00 0.00 H new ATOM 0 HG2 GLU A 120 15.405 -15.187 -12.293 1.00 0.00 H new ATOM 0 HG3 GLU A 120 16.450 -13.843 -11.875 1.00 0.00 H new ATOM 1913 N LYS A 121 15.577 -18.721 -9.115 1.00 0.00 N ATOM 1914 CA LYS A 121 15.979 -19.678 -8.099 1.00 0.00 C ATOM 1915 C LYS A 121 17.506 -19.771 -8.067 1.00 0.00 C ATOM 1916 O LYS A 121 18.191 -19.031 -8.771 1.00 0.00 O ATOM 1917 CB LYS A 121 15.286 -21.023 -8.325 1.00 0.00 C ATOM 1918 CG LYS A 121 14.737 -21.585 -7.011 1.00 0.00 C ATOM 1919 CD LYS A 121 13.415 -20.912 -6.637 1.00 0.00 C ATOM 1920 CE LYS A 121 13.612 -19.913 -5.495 1.00 0.00 C ATOM 1921 NZ LYS A 121 12.729 -20.248 -4.355 1.00 0.00 N ATOM 0 H LYS A 121 15.076 -19.125 -9.907 1.00 0.00 H new ATOM 0 HA LYS A 121 15.659 -19.342 -7.113 1.00 0.00 H new ATOM 0 HB2 LYS A 121 14.473 -20.901 -9.041 1.00 0.00 H new ATOM 0 HB3 LYS A 121 15.991 -21.731 -8.761 1.00 0.00 H new ATOM 0 HG2 LYS A 121 14.588 -22.661 -7.106 1.00 0.00 H new ATOM 0 HG3 LYS A 121 15.465 -21.433 -6.214 1.00 0.00 H new ATOM 0 HD2 LYS A 121 13.005 -20.399 -7.507 1.00 0.00 H new ATOM 0 HD3 LYS A 121 12.688 -21.669 -6.342 1.00 0.00 H new ATOM 0 HE2 LYS A 121 14.653 -19.922 -5.171 1.00 0.00 H new ATOM 0 HE3 LYS A 121 13.396 -18.904 -5.846 1.00 0.00 H new ATOM 0 HZ1 LYS A 121 12.875 -19.560 -3.589 1.00 0.00 H new ATOM 0 HZ2 LYS A 121 11.736 -20.216 -4.664 1.00 0.00 H new ATOM 0 HZ3 LYS A 121 12.954 -21.203 -4.011 1.00 0.00 H new ATOM 1935 N SER A 122 17.994 -20.688 -7.244 1.00 0.00 N ATOM 1936 CA SER A 122 19.427 -20.887 -7.112 1.00 0.00 C ATOM 1937 C SER A 122 20.117 -19.552 -6.825 1.00 0.00 C ATOM 1938 O SER A 122 20.706 -18.948 -7.721 1.00 0.00 O ATOM 1939 CB SER A 122 20.013 -21.527 -8.372 1.00 0.00 C ATOM 1940 OG SER A 122 21.437 -21.559 -8.342 1.00 0.00 O ATOM 0 H SER A 122 17.423 -21.301 -6.662 1.00 0.00 H new ATOM 0 HA SER A 122 19.602 -21.566 -6.277 1.00 0.00 H new ATOM 0 HB2 SER A 122 19.630 -22.542 -8.475 1.00 0.00 H new ATOM 0 HB3 SER A 122 19.681 -20.971 -9.249 1.00 0.00 H new ATOM 0 HG SER A 122 21.772 -21.976 -9.163 1.00 0.00 H new ATOM 1946 N GLY A 123 20.022 -19.130 -5.573 1.00 0.00 N ATOM 1947 CA GLY A 123 20.630 -17.878 -5.157 1.00 0.00 C ATOM 1948 C GLY A 123 19.768 -17.172 -4.108 1.00 0.00 C ATOM 1949 O GLY A 123 18.806 -16.486 -4.450 1.00 0.00 O ATOM 0 H GLY A 123 19.533 -19.633 -4.833 1.00 0.00 H new ATOM 0 HA2 GLY A 123 21.622 -18.069 -4.749 1.00 0.00 H new ATOM 0 HA3 GLY A 123 20.761 -17.228 -6.022 1.00 0.00 H new ATOM 1953 N PRO A 124 20.154 -17.369 -2.819 1.00 0.00 N ATOM 1954 CA PRO A 124 19.427 -16.759 -1.719 1.00 0.00 C ATOM 1955 C PRO A 124 19.737 -15.264 -1.619 1.00 0.00 C ATOM 1956 O PRO A 124 20.510 -14.843 -0.760 1.00 0.00 O ATOM 1957 CB PRO A 124 19.855 -17.538 -0.486 1.00 0.00 C ATOM 1958 CG PRO A 124 21.146 -18.244 -0.865 1.00 0.00 C ATOM 1959 CD PRO A 124 21.288 -18.175 -2.377 1.00 0.00 C ATOM 0 HA PRO A 124 18.346 -16.808 -1.850 1.00 0.00 H new ATOM 0 HB2 PRO A 124 20.009 -16.872 0.363 1.00 0.00 H new ATOM 0 HB3 PRO A 124 19.089 -18.256 -0.193 1.00 0.00 H new ATOM 0 HG2 PRO A 124 21.998 -17.768 -0.379 1.00 0.00 H new ATOM 0 HG3 PRO A 124 21.126 -19.281 -0.530 1.00 0.00 H new ATOM 0 HD2 PRO A 124 22.235 -17.718 -2.665 1.00 0.00 H new ATOM 0 HD3 PRO A 124 21.265 -19.169 -2.823 1.00 0.00 H new ATOM 1967 N SER A 125 19.117 -14.503 -2.509 1.00 0.00 N ATOM 1968 CA SER A 125 19.317 -13.064 -2.532 1.00 0.00 C ATOM 1969 C SER A 125 20.772 -12.743 -2.878 1.00 0.00 C ATOM 1970 O SER A 125 21.563 -12.408 -1.998 1.00 0.00 O ATOM 1971 CB SER A 125 18.939 -12.434 -1.190 1.00 0.00 C ATOM 1972 OG SER A 125 17.661 -12.873 -0.735 1.00 0.00 O ATOM 0 H SER A 125 18.476 -14.856 -3.219 1.00 0.00 H new ATOM 0 HA SER A 125 18.667 -12.641 -3.297 1.00 0.00 H new ATOM 0 HB2 SER A 125 19.695 -12.685 -0.446 1.00 0.00 H new ATOM 0 HB3 SER A 125 18.936 -11.348 -1.287 1.00 0.00 H new ATOM 0 HG SER A 125 16.983 -12.663 -1.411 1.00 0.00 H new ATOM 1978 N SER A 126 21.081 -12.858 -4.161 1.00 0.00 N ATOM 1979 CA SER A 126 22.428 -12.584 -4.634 1.00 0.00 C ATOM 1980 C SER A 126 22.443 -11.289 -5.448 1.00 0.00 C ATOM 1981 O SER A 126 21.536 -11.039 -6.241 1.00 0.00 O ATOM 1982 CB SER A 126 22.963 -13.746 -5.473 1.00 0.00 C ATOM 1983 OG SER A 126 22.367 -13.789 -6.767 1.00 0.00 O ATOM 0 H SER A 126 20.422 -13.137 -4.888 1.00 0.00 H new ATOM 0 HA SER A 126 23.079 -12.468 -3.767 1.00 0.00 H new ATOM 0 HB2 SER A 126 24.044 -13.652 -5.575 1.00 0.00 H new ATOM 0 HB3 SER A 126 22.772 -14.686 -4.955 1.00 0.00 H new ATOM 0 HG SER A 126 22.736 -14.543 -7.272 1.00 0.00 H new ATOM 1989 N GLY A 127 23.483 -10.499 -5.224 1.00 0.00 N ATOM 1990 CA GLY A 127 23.628 -9.236 -5.928 1.00 0.00 C ATOM 1991 C GLY A 127 22.724 -8.163 -5.319 1.00 0.00 C ATOM 1992 O GLY A 127 21.708 -8.478 -4.703 1.00 0.00 O ATOM 0 H GLY A 127 24.233 -10.709 -4.565 1.00 0.00 H new ATOM 0 HA2 GLY A 127 24.667 -8.909 -5.885 1.00 0.00 H new ATOM 0 HA3 GLY A 127 23.380 -9.372 -6.981 1.00 0.00 H new TER 1996 GLY A 127