USER MOD reduce.3.24.130724 H: found=0, std=0, add=580, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 580 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 6 ASN : amide:sc= -1.05 K(o=-1.3,f=-8.7!) USER MOD Set 1.2: A 66 MET CE :methyl -121:sc= -0.293 (180deg=0) USER MOD Set 2.1: A 2 ASN :FLIP amide:sc= 0.58 F(o=-0.0027,f=1.2) USER MOD Set 2.2: A 11 THR OG1 : rot -67:sc= 0.647 USER MOD Single : A 1 MET CE :methyl -122:sc= -0.271 (180deg=-4.71!) USER MOD Single : A 1 MET N :NH3+ 139:sc= 2.29 (180deg=0.565) USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot 40:sc= 0.327 USER MOD Single : A 19 ASN : amide:sc= -0.715 K(o=-0.71,f=-2.5!) USER MOD Single : A 21 THR OG1 : rot -134:sc= 0.00294 USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ -166:sc= -0.0249 (180deg=-0.188) USER MOD Single : A 31 GLN : amide:sc= 0 K(o=0,f=-0.89) USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 40 ASN : amide:sc= -0.97 K(o=-0.97,f=-2.5!) USER MOD Single : A 52 THR OG1 : rot 72:sc= 1.06 USER MOD Single : A 53 THR OG1 : rot 36:sc= 0.556 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 74 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 75 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 76 HIS : no HD1:sc= 0 X(o=0,f=-0.00098) USER MOD Single : A 77 HIS : no HD1:sc= -0.0112 X(o=-0.011,f=-0.0071) USER MOD Single : A 78 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -3.331 -11.277 -2.177 1.00 14.12 N ATOM 2 CA MET A 1 -2.481 -10.782 -1.056 1.00 53.23 C ATOM 3 C MET A 1 -2.955 -9.412 -0.537 1.00 21.41 C ATOM 4 O MET A 1 -3.597 -8.649 -1.262 1.00 62.54 O ATOM 5 CB MET A 1 -1.010 -10.700 -1.502 1.00 23.51 C ATOM 6 CG MET A 1 -0.758 -9.750 -2.666 1.00 25.23 C ATOM 7 SD MET A 1 0.965 -9.761 -3.194 1.00 12.11 S ATOM 8 CE MET A 1 0.928 -8.588 -4.548 1.00 45.44 C ATOM 0 H1 MET A 1 -2.728 -11.709 -2.905 1.00 14.12 H new ATOM 0 H2 MET A 1 -4.002 -11.986 -1.817 1.00 14.12 H new ATOM 0 H3 MET A 1 -3.857 -10.481 -2.591 1.00 14.12 H new ATOM 0 HA MET A 1 -2.572 -11.494 -0.236 1.00 53.23 H new ATOM 0 HB2 MET A 1 -0.403 -10.385 -0.654 1.00 23.51 H new ATOM 0 HB3 MET A 1 -0.672 -11.697 -1.783 1.00 23.51 H new ATOM 0 HG2 MET A 1 -1.395 -10.030 -3.505 1.00 25.23 H new ATOM 0 HG3 MET A 1 -1.040 -8.738 -2.375 1.00 25.23 H new ATOM 0 HE1 MET A 1 1.279 -9.073 -5.459 1.00 45.44 H new ATOM 0 HE2 MET A 1 -0.092 -8.234 -4.695 1.00 45.44 H new ATOM 0 HE3 MET A 1 1.575 -7.742 -4.315 1.00 45.44 H new ATOM 20 N ASN A 2 -2.649 -9.118 0.724 1.00 52.23 N ATOM 21 CA ASN A 2 -2.980 -7.821 1.331 1.00 34.22 C ATOM 22 C ASN A 2 -1.835 -6.811 1.163 1.00 70.15 C ATOM 23 O ASN A 2 -0.693 -7.091 1.519 1.00 1.11 O ATOM 24 CB ASN A 2 -3.296 -7.996 2.822 1.00 53.32 C ATOM 25 CG ASN A 2 -4.651 -8.636 3.056 1.00 15.22 C ATOM 26 OD1 ASN A 2 -5.677 -7.814 3.151 1.00 72.53 O flip ATOM 27 ND2 ASN A 2 -4.782 -9.853 3.146 1.00 62.13 N flip ATOM 0 H ASN A 2 -2.169 -9.762 1.353 1.00 52.23 H new ATOM 0 HA ASN A 2 -3.858 -7.432 0.815 1.00 34.22 H new ATOM 0 HB2 ASN A 2 -2.523 -8.610 3.285 1.00 53.32 H new ATOM 0 HB3 ASN A 2 -3.267 -7.023 3.313 1.00 53.32 H new ATOM 0 HD21 ASN A 2 -3.967 -10.461 3.068 1.00 62.13 H new ATOM 0 HD22 ASN A 2 -5.706 -10.257 3.299 1.00 62.13 H new ATOM 34 N LEU A 3 -2.147 -5.637 0.620 1.00 53.31 N ATOM 35 CA LEU A 3 -1.151 -4.572 0.445 1.00 25.32 C ATOM 36 C LEU A 3 -1.624 -3.265 1.104 1.00 32.22 C ATOM 37 O LEU A 3 -2.754 -2.823 0.890 1.00 32.32 O ATOM 38 CB LEU A 3 -0.884 -4.332 -1.050 1.00 40.52 C ATOM 39 CG LEU A 3 -0.445 -5.567 -1.855 1.00 43.11 C ATOM 40 CD1 LEU A 3 -0.249 -5.215 -3.327 1.00 52.21 C ATOM 41 CD2 LEU A 3 0.832 -6.167 -1.275 1.00 71.14 C ATOM 0 H LEU A 3 -3.082 -5.395 0.292 1.00 53.31 H new ATOM 0 HA LEU A 3 -0.227 -4.891 0.928 1.00 25.32 H new ATOM 0 HB2 LEU A 3 -1.790 -3.930 -1.502 1.00 40.52 H new ATOM 0 HB3 LEU A 3 -0.114 -3.567 -1.145 1.00 40.52 H new ATOM 0 HG LEU A 3 -1.237 -6.313 -1.784 1.00 43.11 H new ATOM 0 HD11 LEU A 3 0.061 -6.104 -3.876 1.00 52.21 H new ATOM 0 HD12 LEU A 3 -1.186 -4.843 -3.740 1.00 52.21 H new ATOM 0 HD13 LEU A 3 0.518 -4.446 -3.418 1.00 52.21 H new ATOM 0 HD21 LEU A 3 1.123 -7.039 -1.861 1.00 71.14 H new ATOM 0 HD22 LEU A 3 1.630 -5.425 -1.308 1.00 71.14 H new ATOM 0 HD23 LEU A 3 0.657 -6.466 -0.242 1.00 71.14 H new ATOM 53 N THR A 4 -0.760 -2.652 1.905 1.00 73.51 N ATOM 54 CA THR A 4 -1.092 -1.393 2.586 1.00 70.44 C ATOM 55 C THR A 4 -0.604 -0.180 1.778 1.00 54.33 C ATOM 56 O THR A 4 0.498 0.326 1.990 1.00 44.15 O ATOM 57 CB THR A 4 -0.481 -1.345 4.011 1.00 14.52 C ATOM 58 OG1 THR A 4 -0.861 -2.521 4.741 1.00 33.34 O ATOM 59 CG2 THR A 4 -0.942 -0.107 4.775 1.00 61.04 C ATOM 0 H THR A 4 0.178 -3.002 2.103 1.00 73.51 H new ATOM 0 HA THR A 4 -2.178 -1.350 2.668 1.00 70.44 H new ATOM 0 HB THR A 4 0.603 -1.301 3.909 1.00 14.52 H new ATOM 0 HG1 THR A 4 -0.472 -2.488 5.640 1.00 33.34 H new ATOM 0 HG21 THR A 4 -0.495 -0.106 5.769 1.00 61.04 H new ATOM 0 HG22 THR A 4 -0.633 0.789 4.237 1.00 61.04 H new ATOM 0 HG23 THR A 4 -2.028 -0.119 4.866 1.00 61.04 H new ATOM 67 N VAL A 5 -1.428 0.270 0.838 1.00 13.03 N ATOM 68 CA VAL A 5 -1.071 1.394 -0.036 1.00 12.52 C ATOM 69 C VAL A 5 -1.491 2.737 0.586 1.00 12.42 C ATOM 70 O VAL A 5 -2.657 2.943 0.911 1.00 45.24 O ATOM 71 CB VAL A 5 -1.712 1.233 -1.443 1.00 64.54 C ATOM 72 CG1 VAL A 5 -3.236 1.133 -1.354 1.00 11.54 C ATOM 73 CG2 VAL A 5 -1.291 2.375 -2.369 1.00 0.02 C ATOM 0 H VAL A 5 -2.351 -0.124 0.657 1.00 13.03 H new ATOM 0 HA VAL A 5 0.013 1.390 -0.146 1.00 12.52 H new ATOM 0 HB VAL A 5 -1.345 0.299 -1.869 1.00 64.54 H new ATOM 0 HG11 VAL A 5 -3.652 1.021 -2.355 1.00 11.54 H new ATOM 0 HG12 VAL A 5 -3.509 0.269 -0.749 1.00 11.54 H new ATOM 0 HG13 VAL A 5 -3.634 2.038 -0.895 1.00 11.54 H new ATOM 0 HG21 VAL A 5 -1.753 2.239 -3.347 1.00 0.02 H new ATOM 0 HG22 VAL A 5 -1.614 3.326 -1.944 1.00 0.02 H new ATOM 0 HG23 VAL A 5 -0.206 2.375 -2.477 1.00 0.02 H new ATOM 83 N ASN A 6 -0.522 3.639 0.774 1.00 51.14 N ATOM 84 CA ASN A 6 -0.784 4.971 1.353 1.00 23.23 C ATOM 85 C ASN A 6 -1.315 4.867 2.796 1.00 40.34 C ATOM 86 O ASN A 6 -1.967 5.785 3.295 1.00 73.04 O ATOM 87 CB ASN A 6 -1.805 5.745 0.503 1.00 3.44 C ATOM 88 CG ASN A 6 -1.497 5.728 -0.983 1.00 23.03 C ATOM 89 OD1 ASN A 6 -2.402 5.744 -1.808 1.00 44.04 O ATOM 90 ND2 ASN A 6 -0.227 5.689 -1.347 1.00 31.33 N ATOM 0 H ASN A 6 0.456 3.475 0.534 1.00 51.14 H new ATOM 0 HA ASN A 6 0.166 5.505 1.363 1.00 23.23 H new ATOM 0 HB2 ASN A 6 -2.796 5.321 0.665 1.00 3.44 H new ATOM 0 HB3 ASN A 6 -1.841 6.779 0.846 1.00 3.44 H new ATOM 0 HD21 ASN A 6 0.020 5.671 -2.337 1.00 31.33 H new ATOM 0 HD22 ASN A 6 0.506 5.676 -0.638 1.00 31.33 H new ATOM 97 N GLY A 7 -1.022 3.758 3.468 1.00 51.40 N ATOM 98 CA GLY A 7 -1.589 3.513 4.792 1.00 2.42 C ATOM 99 C GLY A 7 -3.038 3.036 4.727 1.00 22.42 C ATOM 100 O GLY A 7 -3.764 3.084 5.720 1.00 63.20 O ATOM 0 H GLY A 7 -0.404 3.023 3.125 1.00 51.40 H new ATOM 0 HA2 GLY A 7 -0.987 2.766 5.309 1.00 2.42 H new ATOM 0 HA3 GLY A 7 -1.537 4.428 5.381 1.00 2.42 H new ATOM 104 N LYS A 8 -3.456 2.591 3.545 1.00 5.23 N ATOM 105 CA LYS A 8 -4.810 2.075 3.325 1.00 42.14 C ATOM 106 C LYS A 8 -4.777 0.568 3.010 1.00 63.05 C ATOM 107 O LYS A 8 -3.999 0.122 2.161 1.00 61.22 O ATOM 108 CB LYS A 8 -5.477 2.835 2.169 1.00 11.32 C ATOM 109 CG LYS A 8 -5.655 4.327 2.436 1.00 51.14 C ATOM 110 CD LYS A 8 -6.080 5.084 1.182 1.00 14.21 C ATOM 111 CE LYS A 8 -7.360 4.520 0.573 1.00 62.32 C ATOM 112 NZ LYS A 8 -7.752 5.247 -0.665 1.00 50.12 N ATOM 0 H LYS A 8 -2.868 2.577 2.711 1.00 5.23 H new ATOM 0 HA LYS A 8 -5.388 2.224 4.237 1.00 42.14 H new ATOM 0 HB2 LYS A 8 -4.878 2.705 1.268 1.00 11.32 H new ATOM 0 HB3 LYS A 8 -6.453 2.392 1.970 1.00 11.32 H new ATOM 0 HG2 LYS A 8 -6.403 4.469 3.216 1.00 51.14 H new ATOM 0 HG3 LYS A 8 -4.720 4.743 2.811 1.00 51.14 H new ATOM 0 HD2 LYS A 8 -6.229 6.135 1.428 1.00 14.21 H new ATOM 0 HD3 LYS A 8 -5.279 5.040 0.444 1.00 14.21 H new ATOM 0 HE2 LYS A 8 -7.219 3.464 0.344 1.00 62.32 H new ATOM 0 HE3 LYS A 8 -8.168 4.583 1.302 1.00 62.32 H new ATOM 0 HZ1 LYS A 8 -8.626 4.834 -1.048 1.00 50.12 H new ATOM 0 HZ2 LYS A 8 -7.912 6.250 -0.443 1.00 50.12 H new ATOM 0 HZ3 LYS A 8 -6.992 5.166 -1.371 1.00 50.12 H new ATOM 126 N PRO A 9 -5.621 -0.235 3.683 1.00 63.25 N ATOM 127 CA PRO A 9 -5.655 -1.691 3.479 1.00 42.21 C ATOM 128 C PRO A 9 -6.290 -2.095 2.134 1.00 4.23 C ATOM 129 O PRO A 9 -7.514 -2.164 1.997 1.00 41.12 O ATOM 130 CB PRO A 9 -6.497 -2.189 4.661 1.00 72.15 C ATOM 131 CG PRO A 9 -7.398 -1.042 4.983 1.00 71.12 C ATOM 132 CD PRO A 9 -6.606 0.206 4.691 1.00 54.42 C ATOM 0 HA PRO A 9 -4.654 -2.121 3.440 1.00 42.21 H new ATOM 0 HB2 PRO A 9 -7.067 -3.080 4.396 1.00 72.15 H new ATOM 0 HB3 PRO A 9 -5.870 -2.453 5.512 1.00 72.15 H new ATOM 0 HG2 PRO A 9 -8.305 -1.078 4.380 1.00 71.12 H new ATOM 0 HG3 PRO A 9 -7.708 -1.071 6.028 1.00 71.12 H new ATOM 0 HD2 PRO A 9 -7.242 1.004 4.308 1.00 54.42 H new ATOM 0 HD3 PRO A 9 -6.118 0.590 5.587 1.00 54.42 H new ATOM 140 N SER A 10 -5.448 -2.328 1.131 1.00 51.25 N ATOM 141 CA SER A 10 -5.916 -2.778 -0.188 1.00 41.53 C ATOM 142 C SER A 10 -5.765 -4.294 -0.343 1.00 14.42 C ATOM 143 O SER A 10 -4.665 -4.805 -0.574 1.00 71.22 O ATOM 144 CB SER A 10 -5.152 -2.067 -1.311 1.00 2.11 C ATOM 145 OG SER A 10 -5.548 -2.540 -2.591 1.00 65.14 O ATOM 0 H SER A 10 -4.437 -2.214 1.201 1.00 51.25 H new ATOM 0 HA SER A 10 -6.973 -2.524 -0.261 1.00 41.53 H new ATOM 0 HB2 SER A 10 -5.328 -0.993 -1.249 1.00 2.11 H new ATOM 0 HB3 SER A 10 -4.081 -2.223 -1.180 1.00 2.11 H new ATOM 0 HG SER A 10 -5.044 -2.066 -3.285 1.00 65.14 H new ATOM 151 N THR A 11 -6.870 -5.011 -0.203 1.00 73.24 N ATOM 152 CA THR A 11 -6.868 -6.469 -0.355 1.00 1.12 C ATOM 153 C THR A 11 -6.954 -6.861 -1.833 1.00 53.31 C ATOM 154 O THR A 11 -8.043 -6.930 -2.406 1.00 73.42 O ATOM 155 CB THR A 11 -8.044 -7.132 0.408 1.00 74.32 C ATOM 156 OG1 THR A 11 -8.039 -6.719 1.787 1.00 63.10 O ATOM 157 CG2 THR A 11 -7.961 -8.655 0.336 1.00 65.30 C ATOM 0 H THR A 11 -7.783 -4.612 0.016 1.00 73.24 H new ATOM 0 HA THR A 11 -5.930 -6.827 0.070 1.00 1.12 H new ATOM 0 HB THR A 11 -8.971 -6.811 -0.067 1.00 74.32 H new ATOM 0 HG1 THR A 11 -7.250 -7.088 2.236 1.00 63.10 H new ATOM 0 HG21 THR A 11 -8.799 -9.091 0.880 1.00 65.30 H new ATOM 0 HG22 THR A 11 -8.000 -8.973 -0.706 1.00 65.30 H new ATOM 0 HG23 THR A 11 -7.025 -8.990 0.782 1.00 65.30 H new ATOM 165 N VAL A 12 -5.804 -7.088 -2.455 1.00 72.04 N ATOM 166 CA VAL A 12 -5.763 -7.472 -3.866 1.00 22.23 C ATOM 167 C VAL A 12 -5.727 -9.003 -4.031 1.00 15.32 C ATOM 168 O VAL A 12 -4.697 -9.653 -3.815 1.00 22.14 O ATOM 169 CB VAL A 12 -4.561 -6.814 -4.607 1.00 23.44 C ATOM 170 CG1 VAL A 12 -4.730 -5.296 -4.661 1.00 53.22 C ATOM 171 CG2 VAL A 12 -3.230 -7.175 -3.949 1.00 33.43 C ATOM 0 H VAL A 12 -4.889 -7.014 -2.010 1.00 72.04 H new ATOM 0 HA VAL A 12 -6.681 -7.102 -4.323 1.00 22.23 H new ATOM 0 HB VAL A 12 -4.548 -7.205 -5.624 1.00 23.44 H new ATOM 0 HG11 VAL A 12 -3.881 -4.854 -5.182 1.00 53.22 H new ATOM 0 HG12 VAL A 12 -5.650 -5.051 -5.192 1.00 53.22 H new ATOM 0 HG13 VAL A 12 -4.780 -4.899 -3.647 1.00 53.22 H new ATOM 0 HG21 VAL A 12 -2.414 -6.698 -4.493 1.00 33.43 H new ATOM 0 HG22 VAL A 12 -3.229 -6.828 -2.916 1.00 33.43 H new ATOM 0 HG23 VAL A 12 -3.096 -8.257 -3.969 1.00 33.43 H new ATOM 181 N ASP A 13 -6.870 -9.585 -4.388 1.00 45.44 N ATOM 182 CA ASP A 13 -6.955 -11.024 -4.626 1.00 64.43 C ATOM 183 C ASP A 13 -6.636 -11.348 -6.094 1.00 62.50 C ATOM 184 O ASP A 13 -6.877 -10.531 -6.987 1.00 61.02 O ATOM 185 CB ASP A 13 -8.342 -11.549 -4.245 1.00 20.31 C ATOM 186 CG ASP A 13 -8.411 -13.066 -4.294 1.00 31.20 C ATOM 187 OD1 ASP A 13 -7.821 -13.721 -3.406 1.00 14.21 O ATOM 188 OD2 ASP A 13 -9.043 -13.607 -5.224 1.00 21.35 O ATOM 0 H ASP A 13 -7.748 -9.083 -4.519 1.00 45.44 H new ATOM 0 HA ASP A 13 -6.216 -11.522 -3.998 1.00 64.43 H new ATOM 0 HB2 ASP A 13 -8.596 -11.207 -3.242 1.00 20.31 H new ATOM 0 HB3 ASP A 13 -9.086 -11.130 -4.922 1.00 20.31 H new ATOM 193 N GLY A 14 -6.115 -12.547 -6.338 1.00 65.04 N ATOM 194 CA GLY A 14 -5.592 -12.891 -7.656 1.00 33.22 C ATOM 195 C GLY A 14 -4.117 -12.524 -7.787 1.00 21.13 C ATOM 196 O GLY A 14 -3.582 -12.412 -8.890 1.00 21.11 O ATOM 0 H GLY A 14 -6.044 -13.292 -5.645 1.00 65.04 H new ATOM 0 HA2 GLY A 14 -5.719 -13.959 -7.831 1.00 33.22 H new ATOM 0 HA3 GLY A 14 -6.166 -12.372 -8.423 1.00 33.22 H new ATOM 200 N ALA A 15 -3.470 -12.335 -6.636 1.00 52.35 N ATOM 201 CA ALA A 15 -2.055 -11.965 -6.565 1.00 32.23 C ATOM 202 C ALA A 15 -1.371 -12.673 -5.383 1.00 22.41 C ATOM 203 O ALA A 15 -1.722 -12.445 -4.220 1.00 1.50 O ATOM 204 CB ALA A 15 -1.916 -10.450 -6.439 1.00 72.24 C ATOM 0 H ALA A 15 -3.914 -12.435 -5.723 1.00 52.35 H new ATOM 0 HA ALA A 15 -1.562 -12.285 -7.483 1.00 32.23 H new ATOM 0 HB1 ALA A 15 -0.860 -10.185 -6.387 1.00 72.24 H new ATOM 0 HB2 ALA A 15 -2.368 -9.970 -7.307 1.00 72.24 H new ATOM 0 HB3 ALA A 15 -2.420 -10.112 -5.533 1.00 72.24 H new ATOM 210 N GLU A 16 -0.407 -13.534 -5.696 1.00 61.34 N ATOM 211 CA GLU A 16 0.302 -14.334 -4.688 1.00 30.41 C ATOM 212 C GLU A 16 1.561 -13.610 -4.189 1.00 51.25 C ATOM 213 O GLU A 16 1.686 -13.278 -3.008 1.00 32.43 O ATOM 214 CB GLU A 16 0.704 -15.682 -5.304 1.00 35.10 C ATOM 215 CG GLU A 16 -0.450 -16.450 -5.944 1.00 21.32 C ATOM 216 CD GLU A 16 0.034 -17.531 -6.897 1.00 53.31 C ATOM 217 OE1 GLU A 16 0.387 -18.634 -6.430 1.00 50.51 O ATOM 218 OE2 GLU A 16 0.087 -17.269 -8.119 1.00 43.01 O ATOM 0 H GLU A 16 -0.092 -13.701 -6.652 1.00 61.34 H new ATOM 0 HA GLU A 16 -0.365 -14.488 -3.840 1.00 30.41 H new ATOM 0 HB2 GLU A 16 1.472 -15.509 -6.058 1.00 35.10 H new ATOM 0 HB3 GLU A 16 1.153 -16.303 -4.529 1.00 35.10 H new ATOM 0 HG2 GLU A 16 -1.059 -16.904 -5.162 1.00 21.32 H new ATOM 0 HG3 GLU A 16 -1.092 -15.754 -6.484 1.00 21.32 H new ATOM 225 N SER A 17 2.490 -13.383 -5.113 1.00 32.30 N ATOM 226 CA SER A 17 3.763 -12.716 -4.821 1.00 32.32 C ATOM 227 C SER A 17 4.512 -12.421 -6.123 1.00 10.20 C ATOM 228 O SER A 17 5.100 -13.316 -6.735 1.00 34.02 O ATOM 229 CB SER A 17 4.640 -13.566 -3.891 1.00 20.23 C ATOM 230 OG SER A 17 4.814 -14.892 -4.381 1.00 34.32 O ATOM 0 H SER A 17 2.384 -13.656 -6.090 1.00 32.30 H new ATOM 0 HA SER A 17 3.542 -11.778 -4.311 1.00 32.32 H new ATOM 0 HB2 SER A 17 5.615 -13.091 -3.779 1.00 20.23 H new ATOM 0 HB3 SER A 17 4.187 -13.603 -2.900 1.00 20.23 H new ATOM 0 HG SER A 17 4.941 -14.868 -5.352 1.00 34.32 H new ATOM 236 N LEU A 18 4.496 -11.165 -6.538 1.00 24.53 N ATOM 237 CA LEU A 18 4.991 -10.783 -7.861 1.00 1.45 C ATOM 238 C LEU A 18 5.942 -9.580 -7.807 1.00 14.42 C ATOM 239 O LEU A 18 5.971 -8.841 -6.825 1.00 30.13 O ATOM 240 CB LEU A 18 3.797 -10.500 -8.793 1.00 43.21 C ATOM 241 CG LEU A 18 2.615 -9.714 -8.176 1.00 25.53 C ATOM 242 CD1 LEU A 18 3.011 -8.287 -7.811 1.00 0.24 C ATOM 243 CD2 LEU A 18 1.419 -9.712 -9.125 1.00 63.03 C ATOM 0 H LEU A 18 4.145 -10.387 -5.980 1.00 24.53 H new ATOM 0 HA LEU A 18 5.573 -11.616 -8.255 1.00 1.45 H new ATOM 0 HB2 LEU A 18 4.162 -9.946 -9.658 1.00 43.21 H new ATOM 0 HB3 LEU A 18 3.418 -11.453 -9.162 1.00 43.21 H new ATOM 0 HG LEU A 18 2.332 -10.221 -7.254 1.00 25.53 H new ATOM 0 HD11 LEU A 18 2.153 -7.770 -7.381 1.00 0.24 H new ATOM 0 HD12 LEU A 18 3.823 -8.309 -7.084 1.00 0.24 H new ATOM 0 HD13 LEU A 18 3.341 -7.760 -8.707 1.00 0.24 H new ATOM 0 HD21 LEU A 18 0.598 -9.155 -8.674 1.00 63.03 H new ATOM 0 HD22 LEU A 18 1.703 -9.242 -10.067 1.00 63.03 H new ATOM 0 HD23 LEU A 18 1.102 -10.738 -9.313 1.00 63.03 H new ATOM 255 N ASN A 19 6.717 -9.391 -8.870 1.00 62.41 N ATOM 256 CA ASN A 19 7.639 -8.255 -8.966 1.00 21.02 C ATOM 257 C ASN A 19 6.872 -6.927 -8.988 1.00 1.12 C ATOM 258 O ASN A 19 5.703 -6.886 -9.373 1.00 72.41 O ATOM 259 CB ASN A 19 8.485 -8.374 -10.237 1.00 62.32 C ATOM 260 CG ASN A 19 9.185 -9.714 -10.344 1.00 53.42 C ATOM 261 OD1 ASN A 19 9.543 -10.326 -9.344 1.00 1.30 O ATOM 262 ND2 ASN A 19 9.376 -10.190 -11.556 1.00 45.40 N ATOM 0 H ASN A 19 6.728 -10.009 -9.681 1.00 62.41 H new ATOM 0 HA ASN A 19 8.287 -8.270 -8.090 1.00 21.02 H new ATOM 0 HB2 ASN A 19 7.847 -8.230 -11.109 1.00 62.32 H new ATOM 0 HB3 ASN A 19 9.228 -7.577 -10.251 1.00 62.32 H new ATOM 0 HD21 ASN A 19 9.834 -11.093 -11.683 1.00 45.40 H new ATOM 0 HD22 ASN A 19 9.066 -9.656 -12.368 1.00 45.40 H new ATOM 269 N VAL A 20 7.526 -5.836 -8.590 1.00 15.54 N ATOM 270 CA VAL A 20 6.896 -4.510 -8.642 1.00 52.34 C ATOM 271 C VAL A 20 6.422 -4.196 -10.072 1.00 2.43 C ATOM 272 O VAL A 20 5.378 -3.574 -10.272 1.00 62.52 O ATOM 273 CB VAL A 20 7.858 -3.397 -8.156 1.00 53.10 C ATOM 274 CG1 VAL A 20 7.157 -2.037 -8.136 1.00 13.34 C ATOM 275 CG2 VAL A 20 8.423 -3.738 -6.779 1.00 75.44 C ATOM 0 H VAL A 20 8.481 -5.839 -8.231 1.00 15.54 H new ATOM 0 HA VAL A 20 6.038 -4.533 -7.971 1.00 52.34 H new ATOM 0 HB VAL A 20 8.688 -3.335 -8.860 1.00 53.10 H new ATOM 0 HG11 VAL A 20 7.854 -1.273 -7.791 1.00 13.34 H new ATOM 0 HG12 VAL A 20 6.815 -1.789 -9.141 1.00 13.34 H new ATOM 0 HG13 VAL A 20 6.302 -2.078 -7.462 1.00 13.34 H new ATOM 0 HG21 VAL A 20 9.096 -2.944 -6.455 1.00 75.44 H new ATOM 0 HG22 VAL A 20 7.606 -3.835 -6.064 1.00 75.44 H new ATOM 0 HG23 VAL A 20 8.971 -4.679 -6.833 1.00 75.44 H new ATOM 285 N THR A 21 7.194 -4.652 -11.061 1.00 3.11 N ATOM 286 CA THR A 21 6.799 -4.549 -12.473 1.00 2.44 C ATOM 287 C THR A 21 5.471 -5.276 -12.727 1.00 35.31 C ATOM 288 O THR A 21 4.549 -4.721 -13.325 1.00 24.11 O ATOM 289 CB THR A 21 7.881 -5.144 -13.406 1.00 2.24 C ATOM 290 OG1 THR A 21 9.161 -4.574 -13.097 1.00 44.32 O ATOM 291 CG2 THR A 21 7.551 -4.886 -14.875 1.00 61.51 C ATOM 0 H THR A 21 8.099 -5.098 -10.912 1.00 3.11 H new ATOM 0 HA THR A 21 6.681 -3.488 -12.693 1.00 2.44 H new ATOM 0 HB THR A 21 7.907 -6.221 -13.243 1.00 2.24 H new ATOM 0 HG1 THR A 21 9.612 -4.314 -13.927 1.00 44.32 H new ATOM 0 HG21 THR A 21 8.330 -5.316 -15.504 1.00 61.51 H new ATOM 0 HG22 THR A 21 6.593 -5.345 -15.119 1.00 61.51 H new ATOM 0 HG23 THR A 21 7.494 -3.812 -15.052 1.00 61.51 H new ATOM 299 N GLU A 22 5.377 -6.521 -12.249 1.00 75.43 N ATOM 300 CA GLU A 22 4.142 -7.306 -12.370 1.00 21.11 C ATOM 301 C GLU A 22 2.979 -6.620 -11.632 1.00 23.45 C ATOM 302 O GLU A 22 1.833 -6.669 -12.077 1.00 65.31 O ATOM 303 CB GLU A 22 4.349 -8.724 -11.821 1.00 52.40 C ATOM 304 CG GLU A 22 5.412 -9.533 -12.560 1.00 5.52 C ATOM 305 CD GLU A 22 5.522 -10.968 -12.052 1.00 71.31 C ATOM 306 OE1 GLU A 22 6.304 -11.218 -11.109 1.00 22.31 O ATOM 307 OE2 GLU A 22 4.824 -11.852 -12.595 1.00 13.54 O ATOM 0 H GLU A 22 6.139 -7.007 -11.776 1.00 75.43 H new ATOM 0 HA GLU A 22 3.889 -7.371 -13.428 1.00 21.11 H new ATOM 0 HB2 GLU A 22 4.626 -8.657 -10.769 1.00 52.40 H new ATOM 0 HB3 GLU A 22 3.402 -9.261 -11.868 1.00 52.40 H new ATOM 0 HG2 GLU A 22 5.177 -9.546 -13.624 1.00 5.52 H new ATOM 0 HG3 GLU A 22 6.378 -9.039 -12.453 1.00 5.52 H new ATOM 314 N LEU A 23 3.284 -5.984 -10.502 1.00 30.04 N ATOM 315 CA LEU A 23 2.295 -5.190 -9.764 1.00 24.45 C ATOM 316 C LEU A 23 1.760 -4.038 -10.633 1.00 3.14 C ATOM 317 O LEU A 23 0.551 -3.804 -10.700 1.00 63.02 O ATOM 318 CB LEU A 23 2.918 -4.636 -8.475 1.00 53.35 C ATOM 319 CG LEU A 23 1.977 -3.808 -7.584 1.00 43.01 C ATOM 320 CD1 LEU A 23 0.815 -4.661 -7.079 1.00 23.32 C ATOM 321 CD2 LEU A 23 2.745 -3.201 -6.414 1.00 43.14 C ATOM 0 H LEU A 23 4.210 -6.001 -10.074 1.00 30.04 H new ATOM 0 HA LEU A 23 1.459 -5.839 -9.504 1.00 24.45 H new ATOM 0 HB2 LEU A 23 3.301 -5.472 -7.890 1.00 53.35 H new ATOM 0 HB3 LEU A 23 3.773 -4.016 -8.744 1.00 53.35 H new ATOM 0 HG LEU A 23 1.566 -2.997 -8.185 1.00 43.01 H new ATOM 0 HD11 LEU A 23 0.163 -4.053 -6.451 1.00 23.32 H new ATOM 0 HD12 LEU A 23 0.248 -5.043 -7.928 1.00 23.32 H new ATOM 0 HD13 LEU A 23 1.203 -5.497 -6.497 1.00 23.32 H new ATOM 0 HD21 LEU A 23 2.063 -2.619 -5.794 1.00 43.14 H new ATOM 0 HD22 LEU A 23 3.187 -3.998 -5.816 1.00 43.14 H new ATOM 0 HD23 LEU A 23 3.534 -2.552 -6.794 1.00 43.14 H new ATOM 333 N LEU A 24 2.671 -3.329 -11.303 1.00 43.11 N ATOM 334 CA LEU A 24 2.295 -2.270 -12.250 1.00 33.24 C ATOM 335 C LEU A 24 1.434 -2.837 -13.390 1.00 31.43 C ATOM 336 O LEU A 24 0.528 -2.171 -13.891 1.00 2.33 O ATOM 337 CB LEU A 24 3.552 -1.600 -12.823 1.00 44.21 C ATOM 338 CG LEU A 24 4.464 -0.921 -11.788 1.00 35.33 C ATOM 339 CD1 LEU A 24 5.763 -0.447 -12.434 1.00 33.32 C ATOM 340 CD2 LEU A 24 3.743 0.244 -11.117 1.00 1.21 C ATOM 0 H LEU A 24 3.677 -3.467 -11.209 1.00 43.11 H new ATOM 0 HA LEU A 24 1.708 -1.525 -11.713 1.00 33.24 H new ATOM 0 HB2 LEU A 24 4.133 -2.352 -13.357 1.00 44.21 H new ATOM 0 HB3 LEU A 24 3.244 -0.855 -13.556 1.00 44.21 H new ATOM 0 HG LEU A 24 4.714 -1.657 -11.024 1.00 35.33 H new ATOM 0 HD11 LEU A 24 6.391 0.030 -11.681 1.00 33.32 H new ATOM 0 HD12 LEU A 24 6.291 -1.301 -12.859 1.00 33.32 H new ATOM 0 HD13 LEU A 24 5.536 0.269 -13.224 1.00 33.32 H new ATOM 0 HD21 LEU A 24 4.406 0.711 -10.388 1.00 1.21 H new ATOM 0 HD22 LEU A 24 3.458 0.978 -11.871 1.00 1.21 H new ATOM 0 HD23 LEU A 24 2.850 -0.123 -10.612 1.00 1.21 H new ATOM 352 N SER A 25 1.728 -4.075 -13.790 1.00 34.25 N ATOM 353 CA SER A 25 0.936 -4.780 -14.810 1.00 62.23 C ATOM 354 C SER A 25 -0.471 -5.110 -14.288 1.00 33.51 C ATOM 355 O SER A 25 -1.464 -4.959 -15.004 1.00 34.22 O ATOM 356 CB SER A 25 1.647 -6.074 -15.237 1.00 44.50 C ATOM 357 OG SER A 25 0.901 -6.786 -16.215 1.00 30.21 O ATOM 0 H SER A 25 2.512 -4.616 -13.424 1.00 34.25 H new ATOM 0 HA SER A 25 0.839 -4.121 -15.672 1.00 62.23 H new ATOM 0 HB2 SER A 25 2.633 -5.833 -15.635 1.00 44.50 H new ATOM 0 HB3 SER A 25 1.802 -6.709 -14.365 1.00 44.50 H new ATOM 0 HG SER A 25 1.383 -7.602 -16.464 1.00 30.21 H new ATOM 363 N ALA A 26 -0.546 -5.551 -13.030 1.00 41.42 N ATOM 364 CA ALA A 26 -1.823 -5.882 -12.384 1.00 14.24 C ATOM 365 C ALA A 26 -2.702 -4.635 -12.189 1.00 13.43 C ATOM 366 O ALA A 26 -3.920 -4.685 -12.380 1.00 4.20 O ATOM 367 CB ALA A 26 -1.570 -6.566 -11.041 1.00 12.21 C ATOM 0 H ALA A 26 0.269 -5.689 -12.432 1.00 41.42 H new ATOM 0 HA ALA A 26 -2.361 -6.565 -13.041 1.00 14.24 H new ATOM 0 HB1 ALA A 26 -2.523 -6.807 -10.570 1.00 12.21 H new ATOM 0 HB2 ALA A 26 -1.002 -7.482 -11.201 1.00 12.21 H new ATOM 0 HB3 ALA A 26 -1.004 -5.897 -10.393 1.00 12.21 H new ATOM 373 N LEU A 27 -2.077 -3.523 -11.798 1.00 33.32 N ATOM 374 CA LEU A 27 -2.780 -2.241 -11.643 1.00 75.24 C ATOM 375 C LEU A 27 -2.967 -1.544 -13.003 1.00 20.12 C ATOM 376 O LEU A 27 -3.703 -0.563 -13.117 1.00 43.05 O ATOM 377 CB LEU A 27 -1.998 -1.326 -10.686 1.00 72.11 C ATOM 378 CG LEU A 27 -1.769 -1.890 -9.271 1.00 42.55 C ATOM 379 CD1 LEU A 27 -0.939 -0.922 -8.429 1.00 25.32 C ATOM 380 CD2 LEU A 27 -3.102 -2.199 -8.589 1.00 31.10 C ATOM 0 H LEU A 27 -1.081 -3.481 -11.581 1.00 33.32 H new ATOM 0 HA LEU A 27 -3.767 -2.441 -11.225 1.00 75.24 H new ATOM 0 HB2 LEU A 27 -1.028 -1.106 -11.132 1.00 72.11 H new ATOM 0 HB3 LEU A 27 -2.531 -0.379 -10.599 1.00 72.11 H new ATOM 0 HG LEU A 27 -1.211 -2.822 -9.363 1.00 42.55 H new ATOM 0 HD11 LEU A 27 -0.790 -1.341 -7.434 1.00 25.32 H new ATOM 0 HD12 LEU A 27 0.029 -0.764 -8.905 1.00 25.32 H new ATOM 0 HD13 LEU A 27 -1.463 0.030 -8.347 1.00 25.32 H new ATOM 0 HD21 LEU A 27 -2.917 -2.596 -7.591 1.00 31.10 H new ATOM 0 HD22 LEU A 27 -3.692 -1.286 -8.512 1.00 31.10 H new ATOM 0 HD23 LEU A 27 -3.649 -2.936 -9.177 1.00 31.10 H new ATOM 392 N LYS A 28 -2.282 -2.066 -14.020 1.00 25.24 N ATOM 393 CA LYS A 28 -2.349 -1.540 -15.388 1.00 54.53 C ATOM 394 C LYS A 28 -1.916 -0.062 -15.458 1.00 23.04 C ATOM 395 O LYS A 28 -2.708 0.831 -15.772 1.00 32.11 O ATOM 396 CB LYS A 28 -3.758 -1.736 -15.975 1.00 74.34 C ATOM 397 CG LYS A 28 -3.866 -1.377 -17.455 1.00 52.42 C ATOM 398 CD LYS A 28 -5.263 -1.651 -18.005 1.00 43.12 C ATOM 399 CE LYS A 28 -5.391 -1.210 -19.456 1.00 5.10 C ATOM 400 NZ LYS A 28 -5.264 0.265 -19.603 1.00 30.34 N ATOM 0 H LYS A 28 -1.661 -2.869 -13.920 1.00 25.24 H new ATOM 0 HA LYS A 28 -1.643 -2.107 -15.994 1.00 54.53 H new ATOM 0 HB2 LYS A 28 -4.056 -2.776 -15.841 1.00 74.34 H new ATOM 0 HB3 LYS A 28 -4.464 -1.127 -15.411 1.00 74.34 H new ATOM 0 HG2 LYS A 28 -3.622 -0.324 -17.592 1.00 52.42 H new ATOM 0 HG3 LYS A 28 -3.133 -1.951 -18.022 1.00 52.42 H new ATOM 0 HD2 LYS A 28 -5.483 -2.716 -17.927 1.00 43.12 H new ATOM 0 HD3 LYS A 28 -6.002 -1.128 -17.399 1.00 43.12 H new ATOM 0 HE2 LYS A 28 -4.623 -1.701 -20.053 1.00 5.10 H new ATOM 0 HE3 LYS A 28 -6.355 -1.532 -19.849 1.00 5.10 H new ATOM 0 HZ1 LYS A 28 -5.588 0.549 -20.550 1.00 30.34 H new ATOM 0 HZ2 LYS A 28 -5.846 0.737 -18.882 1.00 30.34 H new ATOM 0 HZ3 LYS A 28 -4.269 0.542 -19.480 1.00 30.34 H new ATOM 414 N VAL A 29 -0.646 0.185 -15.147 1.00 73.51 N ATOM 415 CA VAL A 29 -0.070 1.531 -15.222 1.00 51.31 C ATOM 416 C VAL A 29 0.729 1.711 -16.524 1.00 23.02 C ATOM 417 O VAL A 29 1.753 1.059 -16.727 1.00 74.44 O ATOM 418 CB VAL A 29 0.856 1.817 -14.008 1.00 11.55 C ATOM 419 CG1 VAL A 29 1.413 3.240 -14.065 1.00 4.04 C ATOM 420 CG2 VAL A 29 0.114 1.574 -12.693 1.00 32.14 C ATOM 0 H VAL A 29 0.010 -0.533 -14.838 1.00 73.51 H new ATOM 0 HA VAL A 29 -0.899 2.239 -15.206 1.00 51.31 H new ATOM 0 HB VAL A 29 1.698 1.127 -14.056 1.00 11.55 H new ATOM 0 HG11 VAL A 29 2.058 3.413 -13.203 1.00 4.04 H new ATOM 0 HG12 VAL A 29 1.989 3.369 -14.981 1.00 4.04 H new ATOM 0 HG13 VAL A 29 0.589 3.954 -14.051 1.00 4.04 H new ATOM 0 HG21 VAL A 29 0.781 1.780 -11.856 1.00 32.14 H new ATOM 0 HG22 VAL A 29 -0.753 2.232 -12.637 1.00 32.14 H new ATOM 0 HG23 VAL A 29 -0.215 0.536 -12.648 1.00 32.14 H new ATOM 430 N ALA A 30 0.254 2.592 -17.406 1.00 51.43 N ATOM 431 CA ALA A 30 0.919 2.838 -18.694 1.00 62.32 C ATOM 432 C ALA A 30 2.373 3.310 -18.515 1.00 42.43 C ATOM 433 O ALA A 30 3.263 2.905 -19.264 1.00 3.21 O ATOM 434 CB ALA A 30 0.127 3.852 -19.512 1.00 60.31 C ATOM 0 H ALA A 30 -0.588 3.148 -17.256 1.00 51.43 H new ATOM 0 HA ALA A 30 0.951 1.890 -19.231 1.00 62.32 H new ATOM 0 HB1 ALA A 30 0.630 4.025 -20.463 1.00 60.31 H new ATOM 0 HB2 ALA A 30 -0.876 3.467 -19.697 1.00 60.31 H new ATOM 0 HB3 ALA A 30 0.059 4.790 -18.961 1.00 60.31 H new ATOM 440 N GLN A 31 2.610 4.160 -17.519 1.00 24.52 N ATOM 441 CA GLN A 31 3.955 4.680 -17.247 1.00 4.35 C ATOM 442 C GLN A 31 4.668 3.865 -16.158 1.00 52.52 C ATOM 443 O GLN A 31 4.656 4.234 -14.988 1.00 2.00 O ATOM 444 CB GLN A 31 3.888 6.157 -16.827 1.00 4.43 C ATOM 445 CG GLN A 31 3.386 7.090 -17.922 1.00 74.53 C ATOM 446 CD GLN A 31 3.248 8.529 -17.452 1.00 41.22 C ATOM 447 OE1 GLN A 31 3.967 8.980 -16.567 1.00 65.40 O ATOM 448 NE2 GLN A 31 2.321 9.257 -18.035 1.00 74.44 N ATOM 0 H GLN A 31 1.890 4.506 -16.884 1.00 24.52 H new ATOM 0 HA GLN A 31 4.529 4.592 -18.169 1.00 4.35 H new ATOM 0 HB2 GLN A 31 3.235 6.248 -15.959 1.00 4.43 H new ATOM 0 HB3 GLN A 31 4.881 6.481 -16.515 1.00 4.43 H new ATOM 0 HG2 GLN A 31 4.073 7.053 -18.768 1.00 74.53 H new ATOM 0 HG3 GLN A 31 2.420 6.735 -18.280 1.00 74.53 H new ATOM 0 HE21 GLN A 31 1.740 8.851 -18.768 1.00 74.44 H new ATOM 0 HE22 GLN A 31 2.183 10.228 -17.754 1.00 74.44 H new ATOM 457 N ALA A 32 5.276 2.748 -16.545 1.00 43.42 N ATOM 458 CA ALA A 32 6.074 1.936 -15.615 1.00 75.24 C ATOM 459 C ALA A 32 7.501 2.494 -15.505 1.00 55.32 C ATOM 460 O ALA A 32 8.106 2.513 -14.434 1.00 45.25 O ATOM 461 CB ALA A 32 6.102 0.478 -16.070 1.00 42.11 C ATOM 0 H ALA A 32 5.235 2.379 -17.495 1.00 43.42 H new ATOM 0 HA ALA A 32 5.610 1.981 -14.630 1.00 75.24 H new ATOM 0 HB1 ALA A 32 6.697 -0.110 -15.371 1.00 42.11 H new ATOM 0 HB2 ALA A 32 5.085 0.087 -16.100 1.00 42.11 H new ATOM 0 HB3 ALA A 32 6.544 0.416 -17.064 1.00 42.11 H new ATOM 467 N GLU A 33 8.012 2.963 -16.639 1.00 74.43 N ATOM 468 CA GLU A 33 9.338 3.585 -16.727 1.00 73.33 C ATOM 469 C GLU A 33 9.388 4.931 -15.973 1.00 24.22 C ATOM 470 O GLU A 33 10.461 5.411 -15.599 1.00 51.24 O ATOM 471 CB GLU A 33 9.687 3.793 -18.216 1.00 41.45 C ATOM 472 CG GLU A 33 11.048 4.434 -18.480 1.00 31.01 C ATOM 473 CD GLU A 33 12.213 3.569 -18.031 1.00 52.03 C ATOM 474 OE1 GLU A 33 12.427 2.491 -18.627 1.00 73.21 O ATOM 475 OE2 GLU A 33 12.923 3.962 -17.085 1.00 13.13 O ATOM 0 H GLU A 33 7.518 2.924 -17.531 1.00 74.43 H new ATOM 0 HA GLU A 33 10.068 2.926 -16.256 1.00 73.33 H new ATOM 0 HB2 GLU A 33 9.654 2.827 -18.719 1.00 41.45 H new ATOM 0 HB3 GLU A 33 8.916 4.415 -18.670 1.00 41.45 H new ATOM 0 HG2 GLU A 33 11.145 4.639 -19.546 1.00 31.01 H new ATOM 0 HG3 GLU A 33 11.097 5.394 -17.965 1.00 31.01 H new ATOM 482 N TYR A 34 8.215 5.526 -15.736 1.00 63.20 N ATOM 483 CA TYR A 34 8.134 6.879 -15.162 1.00 53.32 C ATOM 484 C TYR A 34 7.303 6.928 -13.865 1.00 12.42 C ATOM 485 O TYR A 34 6.970 8.013 -13.383 1.00 74.14 O ATOM 486 CB TYR A 34 7.519 7.838 -16.193 1.00 13.51 C ATOM 487 CG TYR A 34 8.163 7.755 -17.564 1.00 2.22 C ATOM 488 CD1 TYR A 34 9.359 8.411 -17.839 1.00 63.15 C ATOM 489 CD2 TYR A 34 7.577 7.009 -18.583 1.00 52.02 C ATOM 490 CE1 TYR A 34 9.950 8.322 -19.084 1.00 25.52 C ATOM 491 CE2 TYR A 34 8.162 6.920 -19.831 1.00 72.51 C ATOM 492 CZ TYR A 34 9.348 7.576 -20.077 1.00 32.42 C ATOM 493 OH TYR A 34 9.942 7.482 -21.316 1.00 20.52 O ATOM 0 H TYR A 34 7.310 5.097 -15.931 1.00 63.20 H new ATOM 0 HA TYR A 34 9.150 7.182 -14.910 1.00 53.32 H new ATOM 0 HB2 TYR A 34 6.455 7.622 -16.288 1.00 13.51 H new ATOM 0 HB3 TYR A 34 7.605 8.859 -15.822 1.00 13.51 H new ATOM 0 HD1 TYR A 34 9.832 8.999 -17.067 1.00 63.15 H new ATOM 0 HD2 TYR A 34 6.648 6.491 -18.394 1.00 52.02 H new ATOM 0 HE1 TYR A 34 10.880 8.834 -19.280 1.00 25.52 H new ATOM 0 HE2 TYR A 34 7.692 6.339 -20.610 1.00 72.51 H new ATOM 0 HH TYR A 34 9.392 6.920 -21.901 1.00 20.52 H new ATOM 503 N VAL A 35 6.975 5.769 -13.296 1.00 23.13 N ATOM 504 CA VAL A 35 6.125 5.720 -12.095 1.00 75.12 C ATOM 505 C VAL A 35 6.934 5.933 -10.800 1.00 21.35 C ATOM 506 O VAL A 35 7.979 5.317 -10.588 1.00 14.51 O ATOM 507 CB VAL A 35 5.336 4.382 -11.993 1.00 70.33 C ATOM 508 CG1 VAL A 35 6.276 3.190 -11.830 1.00 44.45 C ATOM 509 CG2 VAL A 35 4.320 4.441 -10.853 1.00 41.13 C ATOM 0 H VAL A 35 7.278 4.857 -13.638 1.00 23.13 H new ATOM 0 HA VAL A 35 5.415 6.540 -12.202 1.00 75.12 H new ATOM 0 HB VAL A 35 4.793 4.243 -12.928 1.00 70.33 H new ATOM 0 HG11 VAL A 35 5.692 2.272 -11.762 1.00 44.45 H new ATOM 0 HG12 VAL A 35 6.943 3.132 -12.690 1.00 44.45 H new ATOM 0 HG13 VAL A 35 6.865 3.313 -10.921 1.00 44.45 H new ATOM 0 HG21 VAL A 35 3.779 3.496 -10.799 1.00 41.13 H new ATOM 0 HG22 VAL A 35 4.840 4.616 -9.911 1.00 41.13 H new ATOM 0 HG23 VAL A 35 3.615 5.253 -11.035 1.00 41.13 H new ATOM 519 N THR A 36 6.443 6.815 -9.934 1.00 0.01 N ATOM 520 CA THR A 36 7.071 7.053 -8.630 1.00 53.21 C ATOM 521 C THR A 36 6.402 6.208 -7.538 1.00 20.32 C ATOM 522 O THR A 36 5.306 6.529 -7.075 1.00 0.34 O ATOM 523 CB THR A 36 7.004 8.549 -8.226 1.00 60.41 C ATOM 524 OG1 THR A 36 7.595 9.365 -9.248 1.00 14.11 O ATOM 525 CG2 THR A 36 7.717 8.802 -6.901 1.00 22.01 C ATOM 0 H THR A 36 5.611 7.379 -10.108 1.00 0.01 H new ATOM 0 HA THR A 36 8.117 6.763 -8.726 1.00 53.21 H new ATOM 0 HB THR A 36 5.953 8.811 -8.107 1.00 60.41 H new ATOM 0 HG1 THR A 36 7.546 10.307 -8.983 1.00 14.11 H new ATOM 0 HG21 THR A 36 7.651 9.860 -6.648 1.00 22.01 H new ATOM 0 HG22 THR A 36 7.246 8.211 -6.116 1.00 22.01 H new ATOM 0 HG23 THR A 36 8.765 8.516 -6.991 1.00 22.01 H new ATOM 533 N VAL A 37 7.052 5.112 -7.148 1.00 30.45 N ATOM 534 CA VAL A 37 6.528 4.232 -6.095 1.00 51.34 C ATOM 535 C VAL A 37 7.530 4.071 -4.941 1.00 34.33 C ATOM 536 O VAL A 37 8.740 3.961 -5.164 1.00 3.12 O ATOM 537 CB VAL A 37 6.169 2.827 -6.650 1.00 21.22 C ATOM 538 CG1 VAL A 37 5.073 2.926 -7.704 1.00 4.35 C ATOM 539 CG2 VAL A 37 7.406 2.131 -7.216 1.00 51.31 C ATOM 0 H VAL A 37 7.942 4.809 -7.543 1.00 30.45 H new ATOM 0 HA VAL A 37 5.623 4.710 -5.719 1.00 51.34 H new ATOM 0 HB VAL A 37 5.792 2.224 -5.824 1.00 21.22 H new ATOM 0 HG11 VAL A 37 4.838 1.930 -8.079 1.00 4.35 H new ATOM 0 HG12 VAL A 37 4.180 3.367 -7.260 1.00 4.35 H new ATOM 0 HG13 VAL A 37 5.416 3.552 -8.528 1.00 4.35 H new ATOM 0 HG21 VAL A 37 7.128 1.149 -7.598 1.00 51.31 H new ATOM 0 HG22 VAL A 37 7.823 2.731 -8.025 1.00 51.31 H new ATOM 0 HG23 VAL A 37 8.151 2.016 -6.429 1.00 51.31 H new ATOM 549 N GLU A 38 7.023 4.065 -3.711 1.00 1.11 N ATOM 550 CA GLU A 38 7.866 3.835 -2.535 1.00 21.42 C ATOM 551 C GLU A 38 7.267 2.756 -1.611 1.00 74.05 C ATOM 552 O GLU A 38 6.228 2.955 -0.982 1.00 50.53 O ATOM 553 CB GLU A 38 8.104 5.153 -1.768 1.00 52.51 C ATOM 554 CG GLU A 38 6.838 5.863 -1.306 1.00 64.23 C ATOM 555 CD GLU A 38 7.140 7.134 -0.524 1.00 21.45 C ATOM 556 OE1 GLU A 38 7.693 7.031 0.595 1.00 22.40 O ATOM 557 OE2 GLU A 38 6.827 8.240 -1.015 1.00 14.52 O ATOM 0 H GLU A 38 6.037 4.216 -3.500 1.00 1.11 H new ATOM 0 HA GLU A 38 8.830 3.465 -2.884 1.00 21.42 H new ATOM 0 HB2 GLU A 38 8.724 4.942 -0.896 1.00 52.51 H new ATOM 0 HB3 GLU A 38 8.671 5.831 -2.406 1.00 52.51 H new ATOM 0 HG2 GLU A 38 6.226 6.110 -2.173 1.00 64.23 H new ATOM 0 HG3 GLU A 38 6.252 5.187 -0.684 1.00 64.23 H new ATOM 564 N LEU A 39 7.926 1.600 -1.551 1.00 53.52 N ATOM 565 CA LEU A 39 7.483 0.505 -0.683 1.00 3.20 C ATOM 566 C LEU A 39 7.860 0.765 0.772 1.00 22.43 C ATOM 567 O LEU A 39 9.008 1.091 1.075 1.00 62.24 O ATOM 568 CB LEU A 39 8.087 -0.839 -1.118 1.00 50.02 C ATOM 569 CG LEU A 39 7.324 -1.599 -2.208 1.00 31.14 C ATOM 570 CD1 LEU A 39 7.418 -0.882 -3.553 1.00 5.35 C ATOM 571 CD2 LEU A 39 7.844 -3.031 -2.294 1.00 22.45 C ATOM 0 H LEU A 39 8.767 1.396 -2.091 1.00 53.52 H new ATOM 0 HA LEU A 39 6.398 0.456 -0.773 1.00 3.20 H new ATOM 0 HB2 LEU A 39 9.103 -0.661 -1.471 1.00 50.02 H new ATOM 0 HB3 LEU A 39 8.163 -1.481 -0.241 1.00 50.02 H new ATOM 0 HG LEU A 39 6.267 -1.631 -1.943 1.00 31.14 H new ATOM 0 HD11 LEU A 39 6.867 -1.446 -4.305 1.00 5.35 H new ATOM 0 HD12 LEU A 39 6.991 0.117 -3.463 1.00 5.35 H new ATOM 0 HD13 LEU A 39 8.463 -0.804 -3.852 1.00 5.35 H new ATOM 0 HD21 LEU A 39 7.300 -3.570 -3.070 1.00 22.45 H new ATOM 0 HD22 LEU A 39 8.906 -3.018 -2.538 1.00 22.45 H new ATOM 0 HD23 LEU A 39 7.698 -3.529 -1.336 1.00 22.45 H new ATOM 583 N ASN A 40 6.886 0.630 1.666 1.00 51.43 N ATOM 584 CA ASN A 40 7.141 0.686 3.106 1.00 22.21 C ATOM 585 C ASN A 40 7.775 2.030 3.517 1.00 33.43 C ATOM 586 O ASN A 40 8.388 2.143 4.578 1.00 1.03 O ATOM 587 CB ASN A 40 8.053 -0.485 3.505 1.00 51.31 C ATOM 588 CG ASN A 40 7.562 -1.815 2.960 1.00 65.43 C ATOM 589 OD1 ASN A 40 7.952 -2.238 1.880 1.00 70.42 O ATOM 590 ND2 ASN A 40 6.699 -2.483 3.698 1.00 10.11 N ATOM 0 H ASN A 40 5.908 0.480 1.420 1.00 51.43 H new ATOM 0 HA ASN A 40 6.189 0.604 3.631 1.00 22.21 H new ATOM 0 HB2 ASN A 40 9.062 -0.296 3.139 1.00 51.31 H new ATOM 0 HB3 ASN A 40 8.113 -0.541 4.592 1.00 51.31 H new ATOM 0 HD21 ASN A 40 6.337 -3.380 3.373 1.00 10.11 H new ATOM 0 HD22 ASN A 40 6.393 -2.104 4.594 1.00 10.11 H new ATOM 597 N GLY A 41 7.596 3.051 2.676 1.00 24.54 N ATOM 598 CA GLY A 41 8.203 4.358 2.927 1.00 13.53 C ATOM 599 C GLY A 41 9.608 4.497 2.338 1.00 61.42 C ATOM 600 O GLY A 41 10.376 5.369 2.752 1.00 73.13 O ATOM 0 H GLY A 41 7.040 2.998 1.822 1.00 24.54 H new ATOM 0 HA2 GLY A 41 7.563 5.134 2.508 1.00 13.53 H new ATOM 0 HA3 GLY A 41 8.249 4.529 4.003 1.00 13.53 H new ATOM 604 N GLU A 42 9.943 3.647 1.367 1.00 64.22 N ATOM 605 CA GLU A 42 11.267 3.666 0.724 1.00 24.01 C ATOM 606 C GLU A 42 11.141 3.584 -0.809 1.00 24.42 C ATOM 607 O GLU A 42 10.513 2.667 -1.339 1.00 31.11 O ATOM 608 CB GLU A 42 12.109 2.494 1.242 1.00 50.21 C ATOM 609 CG GLU A 42 13.541 2.465 0.710 1.00 24.32 C ATOM 610 CD GLU A 42 14.341 1.291 1.259 1.00 13.23 C ATOM 611 OE1 GLU A 42 14.590 1.257 2.485 1.00 70.41 O ATOM 612 OE2 GLU A 42 14.735 0.406 0.470 1.00 22.42 O ATOM 0 H GLU A 42 9.315 2.931 1.003 1.00 64.22 H new ATOM 0 HA GLU A 42 11.757 4.607 0.974 1.00 24.01 H new ATOM 0 HB2 GLU A 42 12.139 2.537 2.331 1.00 50.21 H new ATOM 0 HB3 GLU A 42 11.615 1.560 0.973 1.00 50.21 H new ATOM 0 HG2 GLU A 42 13.520 2.410 -0.378 1.00 24.32 H new ATOM 0 HG3 GLU A 42 14.042 3.397 0.972 1.00 24.32 H new ATOM 619 N VAL A 43 11.744 4.542 -1.515 1.00 13.11 N ATOM 620 CA VAL A 43 11.662 4.600 -2.984 1.00 14.44 C ATOM 621 C VAL A 43 12.558 3.538 -3.656 1.00 14.43 C ATOM 622 O VAL A 43 13.639 3.215 -3.161 1.00 70.13 O ATOM 623 CB VAL A 43 12.039 6.013 -3.512 1.00 43.31 C ATOM 624 CG1 VAL A 43 13.493 6.359 -3.184 1.00 31.51 C ATOM 625 CG2 VAL A 43 11.771 6.123 -5.013 1.00 12.33 C ATOM 0 H VAL A 43 12.296 5.291 -1.097 1.00 13.11 H new ATOM 0 HA VAL A 43 10.626 4.386 -3.247 1.00 14.44 H new ATOM 0 HB VAL A 43 11.406 6.739 -3.003 1.00 43.31 H new ATOM 0 HG11 VAL A 43 13.726 7.353 -3.566 1.00 31.51 H new ATOM 0 HG12 VAL A 43 13.636 6.343 -2.104 1.00 31.51 H new ATOM 0 HG13 VAL A 43 14.155 5.628 -3.648 1.00 31.51 H new ATOM 0 HG21 VAL A 43 12.043 7.120 -5.359 1.00 12.33 H new ATOM 0 HG22 VAL A 43 12.366 5.380 -5.544 1.00 12.33 H new ATOM 0 HG23 VAL A 43 10.713 5.947 -5.208 1.00 12.33 H new ATOM 635 N LEU A 44 12.090 2.988 -4.780 1.00 55.43 N ATOM 636 CA LEU A 44 12.834 1.949 -5.512 1.00 24.42 C ATOM 637 C LEU A 44 13.496 2.496 -6.792 1.00 40.41 C ATOM 638 O LEU A 44 13.392 3.682 -7.113 1.00 23.43 O ATOM 639 CB LEU A 44 11.905 0.775 -5.877 1.00 33.31 C ATOM 640 CG LEU A 44 11.564 -0.205 -4.737 1.00 52.21 C ATOM 641 CD1 LEU A 44 10.792 0.485 -3.616 1.00 60.13 C ATOM 642 CD2 LEU A 44 10.778 -1.398 -5.278 1.00 31.03 C ATOM 0 H LEU A 44 11.199 3.243 -5.206 1.00 55.43 H new ATOM 0 HA LEU A 44 13.625 1.601 -4.847 1.00 24.42 H new ATOM 0 HB2 LEU A 44 10.973 1.184 -6.267 1.00 33.31 H new ATOM 0 HB3 LEU A 44 12.368 0.211 -6.686 1.00 33.31 H new ATOM 0 HG LEU A 44 12.502 -0.565 -4.315 1.00 52.21 H new ATOM 0 HD11 LEU A 44 10.569 -0.237 -2.830 1.00 60.13 H new ATOM 0 HD12 LEU A 44 11.394 1.295 -3.205 1.00 60.13 H new ATOM 0 HD13 LEU A 44 9.861 0.890 -4.011 1.00 60.13 H new ATOM 0 HD21 LEU A 44 10.545 -2.081 -4.461 1.00 31.03 H new ATOM 0 HD22 LEU A 44 9.852 -1.047 -5.733 1.00 31.03 H new ATOM 0 HD23 LEU A 44 11.376 -1.918 -6.026 1.00 31.03 H new ATOM 654 N GLU A 45 14.186 1.608 -7.512 1.00 54.22 N ATOM 655 CA GLU A 45 14.862 1.958 -8.771 1.00 5.10 C ATOM 656 C GLU A 45 14.109 1.351 -9.980 1.00 64.40 C ATOM 657 O GLU A 45 13.504 0.284 -9.866 1.00 54.15 O ATOM 658 CB GLU A 45 16.322 1.469 -8.698 1.00 21.42 C ATOM 659 CG GLU A 45 17.243 1.964 -9.821 1.00 42.04 C ATOM 660 CD GLU A 45 17.203 1.110 -11.079 1.00 35.43 C ATOM 661 OE1 GLU A 45 16.689 -0.024 -11.028 1.00 0.34 O ATOM 662 OE2 GLU A 45 17.697 1.567 -12.127 1.00 33.14 O ATOM 0 H GLU A 45 14.294 0.630 -7.243 1.00 54.22 H new ATOM 0 HA GLU A 45 14.860 3.039 -8.910 1.00 5.10 H new ATOM 0 HB2 GLU A 45 16.744 1.781 -7.742 1.00 21.42 H new ATOM 0 HB3 GLU A 45 16.322 0.379 -8.706 1.00 21.42 H new ATOM 0 HG2 GLU A 45 16.966 2.986 -10.080 1.00 42.04 H new ATOM 0 HG3 GLU A 45 18.267 1.996 -9.449 1.00 42.04 H new ATOM 669 N ARG A 46 14.163 2.031 -11.135 1.00 72.30 N ATOM 670 CA ARG A 46 13.344 1.669 -12.317 1.00 62.12 C ATOM 671 C ARG A 46 13.371 0.163 -12.653 1.00 43.34 C ATOM 672 O ARG A 46 12.324 -0.468 -12.787 1.00 53.25 O ATOM 673 CB ARG A 46 13.788 2.471 -13.554 1.00 62.23 C ATOM 674 CG ARG A 46 15.246 2.248 -13.952 1.00 64.23 C ATOM 675 CD ARG A 46 15.575 2.847 -15.313 1.00 40.33 C ATOM 676 NE ARG A 46 14.830 2.200 -16.391 1.00 31.11 N ATOM 677 CZ ARG A 46 15.365 1.461 -17.323 1.00 33.34 C ATOM 678 NH1 ARG A 46 16.642 1.238 -17.344 1.00 61.23 N ATOM 679 NH2 ARG A 46 14.624 0.959 -18.254 1.00 10.31 N ATOM 0 H ARG A 46 14.767 2.840 -11.283 1.00 72.30 H new ATOM 0 HA ARG A 46 12.318 1.921 -12.049 1.00 62.12 H new ATOM 0 HB2 ARG A 46 13.148 2.205 -14.395 1.00 62.23 H new ATOM 0 HB3 ARG A 46 13.634 3.532 -13.360 1.00 62.23 H new ATOM 0 HG2 ARG A 46 15.897 2.689 -13.197 1.00 64.23 H new ATOM 0 HG3 ARG A 46 15.456 1.178 -13.969 1.00 64.23 H new ATOM 0 HD2 ARG A 46 15.348 3.913 -15.304 1.00 40.33 H new ATOM 0 HD3 ARG A 46 16.644 2.751 -15.503 1.00 40.33 H new ATOM 0 HE ARG A 46 13.819 2.336 -16.416 1.00 31.11 H new ATOM 0 HH11 ARG A 46 17.242 1.643 -16.625 1.00 61.23 H new ATOM 0 HH12 ARG A 46 17.046 0.658 -18.079 1.00 61.23 H new ATOM 0 HH21 ARG A 46 13.620 1.140 -18.260 1.00 10.31 H new ATOM 0 HH22 ARG A 46 15.042 0.381 -18.983 1.00 10.31 H new ATOM 693 N GLU A 47 14.559 -0.413 -12.795 1.00 42.34 N ATOM 694 CA GLU A 47 14.681 -1.806 -13.237 1.00 12.14 C ATOM 695 C GLU A 47 14.812 -2.750 -12.032 1.00 13.41 C ATOM 696 O GLU A 47 14.798 -3.975 -12.170 1.00 4.22 O ATOM 697 CB GLU A 47 15.867 -1.954 -14.205 1.00 21.11 C ATOM 698 CG GLU A 47 15.935 -3.309 -14.905 1.00 34.50 C ATOM 699 CD GLU A 47 16.719 -3.264 -16.209 1.00 15.43 C ATOM 700 OE1 GLU A 47 17.959 -3.398 -16.175 1.00 1.23 O ATOM 701 OE2 GLU A 47 16.090 -3.107 -17.280 1.00 25.31 O ATOM 0 H GLU A 47 15.447 0.054 -12.613 1.00 42.34 H new ATOM 0 HA GLU A 47 13.774 -2.087 -13.772 1.00 12.14 H new ATOM 0 HB2 GLU A 47 15.806 -1.170 -14.960 1.00 21.11 H new ATOM 0 HB3 GLU A 47 16.794 -1.795 -13.654 1.00 21.11 H new ATOM 0 HG2 GLU A 47 16.395 -4.035 -14.235 1.00 34.50 H new ATOM 0 HG3 GLU A 47 14.923 -3.659 -15.108 1.00 34.50 H new ATOM 708 N ALA A 48 14.929 -2.162 -10.842 1.00 53.35 N ATOM 709 CA ALA A 48 14.868 -2.922 -9.593 1.00 15.20 C ATOM 710 C ALA A 48 13.449 -3.455 -9.356 1.00 31.34 C ATOM 711 O ALA A 48 13.259 -4.444 -8.649 1.00 54.22 O ATOM 712 CB ALA A 48 15.318 -2.063 -8.417 1.00 74.51 C ATOM 0 H ALA A 48 15.067 -1.159 -10.716 1.00 53.35 H new ATOM 0 HA ALA A 48 15.547 -3.771 -9.677 1.00 15.20 H new ATOM 0 HB1 ALA A 48 15.265 -2.647 -7.498 1.00 74.51 H new ATOM 0 HB2 ALA A 48 16.344 -1.734 -8.579 1.00 74.51 H new ATOM 0 HB3 ALA A 48 14.667 -1.193 -8.332 1.00 74.51 H new ATOM 718 N PHE A 49 12.457 -2.789 -9.960 1.00 50.12 N ATOM 719 CA PHE A 49 11.064 -3.253 -9.915 1.00 63.23 C ATOM 720 C PHE A 49 10.964 -4.730 -10.333 1.00 64.24 C ATOM 721 O PHE A 49 10.236 -5.518 -9.726 1.00 14.44 O ATOM 722 CB PHE A 49 10.175 -2.413 -10.850 1.00 31.04 C ATOM 723 CG PHE A 49 10.092 -0.939 -10.521 1.00 22.13 C ATOM 724 CD1 PHE A 49 10.430 -0.458 -9.262 1.00 73.11 C ATOM 725 CD2 PHE A 49 9.663 -0.029 -11.482 1.00 61.53 C ATOM 726 CE1 PHE A 49 10.344 0.891 -8.976 1.00 32.11 C ATOM 727 CE2 PHE A 49 9.577 1.320 -11.197 1.00 0.22 C ATOM 728 CZ PHE A 49 9.918 1.780 -9.942 1.00 33.22 C ATOM 0 H PHE A 49 12.593 -1.926 -10.486 1.00 50.12 H new ATOM 0 HA PHE A 49 10.718 -3.142 -8.887 1.00 63.23 H new ATOM 0 HB2 PHE A 49 10.547 -2.519 -11.869 1.00 31.04 H new ATOM 0 HB3 PHE A 49 9.167 -2.828 -10.834 1.00 31.04 H new ATOM 0 HD1 PHE A 49 10.763 -1.146 -8.499 1.00 73.11 H new ATOM 0 HD2 PHE A 49 9.393 -0.383 -12.466 1.00 61.53 H new ATOM 0 HE1 PHE A 49 10.611 1.251 -7.993 1.00 32.11 H new ATOM 0 HE2 PHE A 49 9.243 2.013 -11.955 1.00 0.22 H new ATOM 0 HZ PHE A 49 9.852 2.834 -9.716 1.00 33.22 H new ATOM 738 N ASP A 50 11.710 -5.087 -11.379 1.00 54.04 N ATOM 739 CA ASP A 50 11.739 -6.456 -11.896 1.00 53.34 C ATOM 740 C ASP A 50 12.366 -7.429 -10.884 1.00 73.14 C ATOM 741 O ASP A 50 11.961 -8.585 -10.785 1.00 3.23 O ATOM 742 CB ASP A 50 12.532 -6.497 -13.207 1.00 24.14 C ATOM 743 CG ASP A 50 11.994 -5.523 -14.239 1.00 73.22 C ATOM 744 OD1 ASP A 50 11.048 -5.883 -14.966 1.00 22.13 O ATOM 745 OD2 ASP A 50 12.514 -4.393 -14.330 1.00 52.55 O ATOM 0 H ASP A 50 12.309 -4.439 -11.890 1.00 54.04 H new ATOM 0 HA ASP A 50 10.710 -6.769 -12.073 1.00 53.34 H new ATOM 0 HB2 ASP A 50 13.578 -6.266 -13.003 1.00 24.14 H new ATOM 0 HB3 ASP A 50 12.503 -7.507 -13.615 1.00 24.14 H new ATOM 750 N ALA A 51 13.356 -6.950 -10.134 1.00 41.24 N ATOM 751 CA ALA A 51 14.084 -7.790 -9.174 1.00 64.30 C ATOM 752 C ALA A 51 13.487 -7.727 -7.754 1.00 41.20 C ATOM 753 O ALA A 51 13.925 -8.450 -6.858 1.00 23.22 O ATOM 754 CB ALA A 51 15.553 -7.385 -9.151 1.00 61.23 C ATOM 0 H ALA A 51 13.676 -5.982 -10.170 1.00 41.24 H new ATOM 0 HA ALA A 51 13.989 -8.824 -9.506 1.00 64.30 H new ATOM 0 HB1 ALA A 51 16.091 -8.009 -8.438 1.00 61.23 H new ATOM 0 HB2 ALA A 51 15.982 -7.516 -10.144 1.00 61.23 H new ATOM 0 HB3 ALA A 51 15.638 -6.340 -8.854 1.00 61.23 H new ATOM 760 N THR A 52 12.494 -6.861 -7.549 1.00 21.53 N ATOM 761 CA THR A 52 11.849 -6.708 -6.230 1.00 74.11 C ATOM 762 C THR A 52 10.462 -7.369 -6.203 1.00 14.00 C ATOM 763 O THR A 52 9.553 -6.948 -6.920 1.00 62.22 O ATOM 764 CB THR A 52 11.697 -5.215 -5.838 1.00 52.21 C ATOM 765 OG1 THR A 52 12.974 -4.560 -5.884 1.00 75.22 O ATOM 766 CG2 THR A 52 11.104 -5.076 -4.438 1.00 64.24 C ATOM 0 H THR A 52 12.114 -6.252 -8.274 1.00 21.53 H new ATOM 0 HA THR A 52 12.500 -7.203 -5.510 1.00 74.11 H new ATOM 0 HB THR A 52 11.020 -4.746 -6.552 1.00 52.21 H new ATOM 0 HG1 THR A 52 13.251 -4.448 -6.817 1.00 75.22 H new ATOM 0 HG21 THR A 52 11.008 -4.020 -4.187 1.00 64.24 H new ATOM 0 HG22 THR A 52 10.121 -5.547 -4.411 1.00 64.24 H new ATOM 0 HG23 THR A 52 11.759 -5.562 -3.715 1.00 64.24 H new ATOM 774 N THR A 53 10.302 -8.397 -5.369 1.00 34.22 N ATOM 775 CA THR A 53 9.038 -9.146 -5.289 1.00 22.24 C ATOM 776 C THR A 53 8.122 -8.646 -4.158 1.00 33.34 C ATOM 777 O THR A 53 8.440 -8.786 -2.975 1.00 11.23 O ATOM 778 CB THR A 53 9.290 -10.659 -5.085 1.00 53.53 C ATOM 779 OG1 THR A 53 10.043 -10.887 -3.880 1.00 21.33 O ATOM 780 CG2 THR A 53 10.041 -11.254 -6.272 1.00 74.00 C ATOM 0 H THR A 53 11.029 -8.733 -4.738 1.00 34.22 H new ATOM 0 HA THR A 53 8.537 -8.977 -6.242 1.00 22.24 H new ATOM 0 HB THR A 53 8.319 -11.148 -5.002 1.00 53.53 H new ATOM 0 HG1 THR A 53 9.774 -10.236 -3.198 1.00 21.33 H new ATOM 0 HG21 THR A 53 10.205 -12.318 -6.102 1.00 74.00 H new ATOM 0 HG22 THR A 53 9.453 -11.117 -7.180 1.00 74.00 H new ATOM 0 HG23 THR A 53 11.002 -10.752 -6.383 1.00 74.00 H new ATOM 788 N VAL A 54 6.986 -8.066 -4.537 1.00 34.51 N ATOM 789 CA VAL A 54 5.945 -7.656 -3.584 1.00 62.13 C ATOM 790 C VAL A 54 5.100 -8.867 -3.142 1.00 2.11 C ATOM 791 O VAL A 54 4.671 -9.671 -3.976 1.00 52.21 O ATOM 792 CB VAL A 54 5.013 -6.588 -4.218 1.00 2.23 C ATOM 793 CG1 VAL A 54 3.920 -6.153 -3.243 1.00 33.44 C ATOM 794 CG2 VAL A 54 5.819 -5.384 -4.706 1.00 31.54 C ATOM 0 H VAL A 54 6.757 -7.865 -5.510 1.00 34.51 H new ATOM 0 HA VAL A 54 6.443 -7.230 -2.713 1.00 62.13 H new ATOM 0 HB VAL A 54 4.525 -7.043 -5.080 1.00 2.23 H new ATOM 0 HG11 VAL A 54 3.285 -5.405 -3.718 1.00 33.44 H new ATOM 0 HG12 VAL A 54 3.316 -7.017 -2.964 1.00 33.44 H new ATOM 0 HG13 VAL A 54 4.377 -5.726 -2.350 1.00 33.44 H new ATOM 0 HG21 VAL A 54 5.145 -4.649 -5.146 1.00 31.54 H new ATOM 0 HG22 VAL A 54 6.347 -4.934 -3.865 1.00 31.54 H new ATOM 0 HG23 VAL A 54 6.541 -5.709 -5.455 1.00 31.54 H new ATOM 804 N LYS A 55 4.864 -8.998 -1.835 1.00 72.23 N ATOM 805 CA LYS A 55 4.133 -10.155 -1.291 1.00 24.55 C ATOM 806 C LYS A 55 3.023 -9.728 -0.308 1.00 41.41 C ATOM 807 O LYS A 55 2.721 -8.542 -0.160 1.00 63.43 O ATOM 808 CB LYS A 55 5.109 -11.111 -0.581 1.00 21.23 C ATOM 809 CG LYS A 55 6.302 -11.539 -1.435 1.00 40.11 C ATOM 810 CD LYS A 55 7.141 -12.617 -0.748 1.00 34.44 C ATOM 811 CE LYS A 55 7.596 -12.196 0.646 1.00 74.51 C ATOM 812 NZ LYS A 55 8.485 -13.214 1.268 1.00 71.21 N ATOM 0 H LYS A 55 5.165 -8.323 -1.132 1.00 72.23 H new ATOM 0 HA LYS A 55 3.660 -10.664 -2.131 1.00 24.55 H new ATOM 0 HB2 LYS A 55 5.479 -10.628 0.323 1.00 21.23 H new ATOM 0 HB3 LYS A 55 4.564 -12.001 -0.267 1.00 21.23 H new ATOM 0 HG2 LYS A 55 5.945 -11.914 -2.394 1.00 40.11 H new ATOM 0 HG3 LYS A 55 6.928 -10.671 -1.645 1.00 40.11 H new ATOM 0 HD2 LYS A 55 6.559 -13.536 -0.676 1.00 34.44 H new ATOM 0 HD3 LYS A 55 8.014 -12.840 -1.361 1.00 34.44 H new ATOM 0 HE2 LYS A 55 8.122 -11.243 0.584 1.00 74.51 H new ATOM 0 HE3 LYS A 55 6.724 -12.038 1.281 1.00 74.51 H new ATOM 0 HZ1 LYS A 55 8.773 -12.892 2.214 1.00 71.21 H new ATOM 0 HZ2 LYS A 55 7.975 -14.117 1.350 1.00 71.21 H new ATOM 0 HZ3 LYS A 55 9.329 -13.346 0.675 1.00 71.21 H new ATOM 826 N ASP A 56 2.420 -10.711 0.363 1.00 64.43 N ATOM 827 CA ASP A 56 1.349 -10.452 1.331 1.00 43.14 C ATOM 828 C ASP A 56 1.867 -9.678 2.557 1.00 20.30 C ATOM 829 O ASP A 56 2.805 -10.109 3.233 1.00 72.32 O ATOM 830 CB ASP A 56 0.707 -11.774 1.769 1.00 72.34 C ATOM 831 CG ASP A 56 -0.472 -11.563 2.703 1.00 72.43 C ATOM 832 OD1 ASP A 56 -1.592 -11.342 2.207 1.00 30.34 O ATOM 833 OD2 ASP A 56 -0.280 -11.605 3.938 1.00 22.33 O ATOM 0 H ASP A 56 2.655 -11.698 0.254 1.00 64.43 H new ATOM 0 HA ASP A 56 0.598 -9.831 0.842 1.00 43.14 H new ATOM 0 HB2 ASP A 56 0.375 -12.323 0.888 1.00 72.34 H new ATOM 0 HB3 ASP A 56 1.455 -12.391 2.266 1.00 72.34 H new ATOM 838 N GLY A 57 1.242 -8.541 2.840 1.00 54.11 N ATOM 839 CA GLY A 57 1.654 -7.710 3.967 1.00 3.00 C ATOM 840 C GLY A 57 2.688 -6.654 3.592 1.00 45.40 C ATOM 841 O GLY A 57 3.515 -6.262 4.419 1.00 1.23 O ATOM 0 H GLY A 57 0.452 -8.174 2.309 1.00 54.11 H new ATOM 0 HA2 GLY A 57 0.777 -7.217 4.386 1.00 3.00 H new ATOM 0 HA3 GLY A 57 2.064 -8.349 4.749 1.00 3.00 H new ATOM 845 N ASP A 58 2.637 -6.186 2.347 1.00 12.14 N ATOM 846 CA ASP A 58 3.563 -5.156 1.867 1.00 64.21 C ATOM 847 C ASP A 58 2.940 -3.754 2.035 1.00 65.55 C ATOM 848 O ASP A 58 1.791 -3.629 2.461 1.00 45.25 O ATOM 849 CB ASP A 58 3.920 -5.429 0.397 1.00 53.45 C ATOM 850 CG ASP A 58 5.075 -4.577 -0.092 1.00 13.32 C ATOM 851 OD1 ASP A 58 6.240 -4.969 0.129 1.00 43.43 O ATOM 852 OD2 ASP A 58 4.822 -3.497 -0.668 1.00 32.25 O ATOM 0 H ASP A 58 1.964 -6.503 1.649 1.00 12.14 H new ATOM 0 HA ASP A 58 4.478 -5.188 2.459 1.00 64.21 H new ATOM 0 HB2 ASP A 58 4.175 -6.482 0.279 1.00 53.45 H new ATOM 0 HB3 ASP A 58 3.046 -5.241 -0.226 1.00 53.45 H new ATOM 857 N ALA A 59 3.690 -2.706 1.699 1.00 31.21 N ATOM 858 CA ALA A 59 3.215 -1.330 1.870 1.00 43.31 C ATOM 859 C ALA A 59 3.644 -0.425 0.702 1.00 43.20 C ATOM 860 O ALA A 59 4.078 0.712 0.909 1.00 40.34 O ATOM 861 CB ALA A 59 3.712 -0.768 3.197 1.00 63.40 C ATOM 0 H ALA A 59 4.629 -2.781 1.307 1.00 31.21 H new ATOM 0 HA ALA A 59 2.125 -1.351 1.876 1.00 43.31 H new ATOM 0 HB1 ALA A 59 3.354 0.255 3.316 1.00 63.40 H new ATOM 0 HB2 ALA A 59 3.336 -1.381 4.016 1.00 63.40 H new ATOM 0 HB3 ALA A 59 4.802 -0.775 3.210 1.00 63.40 H new ATOM 867 N VAL A 60 3.538 -0.942 -0.520 1.00 52.33 N ATOM 868 CA VAL A 60 3.794 -0.150 -1.730 1.00 23.43 C ATOM 869 C VAL A 60 2.909 1.115 -1.787 1.00 54.34 C ATOM 870 O VAL A 60 1.718 1.058 -2.099 1.00 74.04 O ATOM 871 CB VAL A 60 3.589 -1.005 -3.016 1.00 41.31 C ATOM 872 CG1 VAL A 60 2.221 -1.690 -3.014 1.00 11.22 C ATOM 873 CG2 VAL A 60 3.776 -0.151 -4.276 1.00 15.45 C ATOM 0 H VAL A 60 3.275 -1.910 -0.703 1.00 52.33 H new ATOM 0 HA VAL A 60 4.835 0.169 -1.684 1.00 23.43 H new ATOM 0 HB VAL A 60 4.349 -1.786 -3.022 1.00 41.31 H new ATOM 0 HG11 VAL A 60 2.108 -2.279 -3.924 1.00 11.22 H new ATOM 0 HG12 VAL A 60 2.143 -2.345 -2.146 1.00 11.22 H new ATOM 0 HG13 VAL A 60 1.436 -0.935 -2.971 1.00 11.22 H new ATOM 0 HG21 VAL A 60 3.628 -0.770 -5.161 1.00 15.45 H new ATOM 0 HG22 VAL A 60 3.049 0.661 -4.276 1.00 15.45 H new ATOM 0 HG23 VAL A 60 4.784 0.264 -4.288 1.00 15.45 H new ATOM 883 N GLU A 61 3.503 2.258 -1.461 1.00 64.32 N ATOM 884 CA GLU A 61 2.777 3.530 -1.454 1.00 23.12 C ATOM 885 C GLU A 61 2.858 4.245 -2.811 1.00 44.05 C ATOM 886 O GLU A 61 3.939 4.613 -3.273 1.00 2.12 O ATOM 887 CB GLU A 61 3.312 4.450 -0.343 1.00 32.04 C ATOM 888 CG GLU A 61 3.128 3.884 1.058 1.00 51.43 C ATOM 889 CD GLU A 61 3.457 4.889 2.154 1.00 44.52 C ATOM 890 OE1 GLU A 61 2.560 5.676 2.528 1.00 40.43 O ATOM 891 OE2 GLU A 61 4.601 4.894 2.655 1.00 15.34 O ATOM 0 H GLU A 61 4.486 2.333 -1.198 1.00 64.32 H new ATOM 0 HA GLU A 61 1.729 3.302 -1.260 1.00 23.12 H new ATOM 0 HB2 GLU A 61 4.372 4.635 -0.515 1.00 32.04 H new ATOM 0 HB3 GLU A 61 2.806 5.414 -0.406 1.00 32.04 H new ATOM 0 HG2 GLU A 61 2.097 3.550 1.176 1.00 51.43 H new ATOM 0 HG3 GLU A 61 3.763 3.006 1.175 1.00 51.43 H new ATOM 898 N PHE A 62 1.702 4.417 -3.452 1.00 22.03 N ATOM 899 CA PHE A 62 1.597 5.208 -4.686 1.00 24.21 C ATOM 900 C PHE A 62 1.329 6.685 -4.379 1.00 62.14 C ATOM 901 O PHE A 62 0.496 7.016 -3.538 1.00 24.04 O ATOM 902 CB PHE A 62 0.482 4.655 -5.591 1.00 72.32 C ATOM 903 CG PHE A 62 0.959 3.629 -6.584 1.00 61.45 C ATOM 904 CD1 PHE A 62 1.301 2.349 -6.177 1.00 51.42 C ATOM 905 CD2 PHE A 62 1.066 3.953 -7.929 1.00 22.31 C ATOM 906 CE1 PHE A 62 1.743 1.413 -7.097 1.00 34.24 C ATOM 907 CE2 PHE A 62 1.503 3.025 -8.849 1.00 60.24 C ATOM 908 CZ PHE A 62 1.845 1.753 -8.436 1.00 33.23 C ATOM 0 H PHE A 62 0.818 4.018 -3.137 1.00 22.03 H new ATOM 0 HA PHE A 62 2.551 5.132 -5.207 1.00 24.21 H new ATOM 0 HB2 PHE A 62 -0.293 4.210 -4.967 1.00 72.32 H new ATOM 0 HB3 PHE A 62 0.021 5.482 -6.130 1.00 72.32 H new ATOM 0 HD1 PHE A 62 1.222 2.079 -5.134 1.00 51.42 H new ATOM 0 HD2 PHE A 62 0.803 4.947 -8.260 1.00 22.31 H new ATOM 0 HE1 PHE A 62 2.008 0.418 -6.771 1.00 34.24 H new ATOM 0 HE2 PHE A 62 1.578 3.293 -9.893 1.00 60.24 H new ATOM 0 HZ PHE A 62 2.191 1.025 -9.155 1.00 33.23 H new ATOM 918 N LEU A 63 2.034 7.570 -5.071 1.00 75.51 N ATOM 919 CA LEU A 63 1.857 9.010 -4.887 1.00 45.31 C ATOM 920 C LEU A 63 1.857 9.748 -6.235 1.00 74.43 C ATOM 921 O LEU A 63 2.683 9.470 -7.102 1.00 0.23 O ATOM 922 CB LEU A 63 2.944 9.585 -3.953 1.00 25.03 C ATOM 923 CG LEU A 63 4.410 9.288 -4.336 1.00 34.14 C ATOM 924 CD1 LEU A 63 5.359 10.213 -3.577 1.00 2.34 C ATOM 925 CD2 LEU A 63 4.771 7.826 -4.052 1.00 53.11 C ATOM 0 H LEU A 63 2.736 7.318 -5.767 1.00 75.51 H new ATOM 0 HA LEU A 63 0.885 9.166 -4.418 1.00 45.31 H new ATOM 0 HB2 LEU A 63 2.816 10.666 -3.906 1.00 25.03 H new ATOM 0 HB3 LEU A 63 2.769 9.200 -2.948 1.00 25.03 H new ATOM 0 HG LEU A 63 4.516 9.467 -5.406 1.00 34.14 H new ATOM 0 HD11 LEU A 63 6.388 9.990 -3.859 1.00 2.34 H new ATOM 0 HD12 LEU A 63 5.132 11.250 -3.824 1.00 2.34 H new ATOM 0 HD13 LEU A 63 5.236 10.061 -2.505 1.00 2.34 H new ATOM 0 HD21 LEU A 63 5.809 7.647 -4.332 1.00 53.11 H new ATOM 0 HD22 LEU A 63 4.640 7.619 -2.990 1.00 53.11 H new ATOM 0 HD23 LEU A 63 4.121 7.171 -4.632 1.00 53.11 H new ATOM 937 N TYR A 64 0.887 10.651 -6.415 1.00 12.31 N ATOM 938 CA TYR A 64 0.773 11.498 -7.620 1.00 52.20 C ATOM 939 C TYR A 64 0.357 10.712 -8.884 1.00 60.13 C ATOM 940 O TYR A 64 -0.118 11.303 -9.854 1.00 31.04 O ATOM 941 CB TYR A 64 2.080 12.268 -7.876 1.00 24.32 C ATOM 942 CG TYR A 64 2.531 13.099 -6.689 1.00 42.44 C ATOM 943 CD1 TYR A 64 1.792 14.197 -6.259 1.00 2.43 C ATOM 944 CD2 TYR A 64 3.694 12.781 -5.993 1.00 11.34 C ATOM 945 CE1 TYR A 64 2.199 14.950 -5.172 1.00 70.33 C ATOM 946 CE2 TYR A 64 4.104 13.528 -4.907 1.00 41.52 C ATOM 947 CZ TYR A 64 3.355 14.610 -4.502 1.00 34.43 C ATOM 948 OH TYR A 64 3.766 15.354 -3.417 1.00 63.50 O ATOM 0 H TYR A 64 0.152 10.820 -5.728 1.00 12.31 H new ATOM 0 HA TYR A 64 -0.029 12.207 -7.414 1.00 52.20 H new ATOM 0 HB2 TYR A 64 2.867 11.559 -8.134 1.00 24.32 H new ATOM 0 HB3 TYR A 64 1.945 12.922 -8.738 1.00 24.32 H new ATOM 0 HD1 TYR A 64 0.886 14.466 -6.782 1.00 2.43 H new ATOM 0 HD2 TYR A 64 4.286 11.935 -6.308 1.00 11.34 H new ATOM 0 HE1 TYR A 64 1.615 15.799 -4.850 1.00 70.33 H new ATOM 0 HE2 TYR A 64 5.008 13.265 -4.378 1.00 41.52 H new ATOM 0 HH TYR A 64 4.598 14.979 -3.060 1.00 63.50 H new ATOM 958 N PHE A 65 0.535 9.387 -8.882 1.00 2.43 N ATOM 959 CA PHE A 65 0.138 8.547 -10.024 1.00 74.51 C ATOM 960 C PHE A 65 -1.164 7.778 -9.744 1.00 52.20 C ATOM 961 O PHE A 65 -1.143 6.601 -9.372 1.00 33.31 O ATOM 962 CB PHE A 65 1.264 7.566 -10.388 1.00 40.21 C ATOM 963 CG PHE A 65 2.488 8.241 -10.957 1.00 15.34 C ATOM 964 CD1 PHE A 65 3.394 8.875 -10.123 1.00 23.21 C ATOM 965 CD2 PHE A 65 2.722 8.250 -12.324 1.00 72.04 C ATOM 966 CE1 PHE A 65 4.509 9.501 -10.638 1.00 4.11 C ATOM 967 CE2 PHE A 65 3.836 8.878 -12.844 1.00 41.00 C ATOM 968 CZ PHE A 65 4.731 9.504 -11.999 1.00 2.44 C ATOM 0 H PHE A 65 0.950 8.871 -8.106 1.00 2.43 H new ATOM 0 HA PHE A 65 -0.044 9.212 -10.868 1.00 74.51 H new ATOM 0 HB2 PHE A 65 1.549 7.005 -9.498 1.00 40.21 H new ATOM 0 HB3 PHE A 65 0.887 6.844 -11.112 1.00 40.21 H new ATOM 0 HD1 PHE A 65 3.225 8.879 -9.056 1.00 23.21 H new ATOM 0 HD2 PHE A 65 2.025 7.761 -12.989 1.00 72.04 H new ATOM 0 HE1 PHE A 65 5.209 9.989 -9.976 1.00 4.11 H new ATOM 0 HE2 PHE A 65 4.007 8.880 -13.910 1.00 41.00 H new ATOM 0 HZ PHE A 65 5.604 9.995 -12.403 1.00 2.44 H new ATOM 978 N MET A 66 -2.297 8.464 -9.904 1.00 1.11 N ATOM 979 CA MET A 66 -3.624 7.857 -9.713 1.00 52.51 C ATOM 980 C MET A 66 -4.652 8.444 -10.690 1.00 14.24 C ATOM 981 O MET A 66 -4.905 9.649 -10.697 1.00 44.22 O ATOM 982 CB MET A 66 -4.118 8.069 -8.275 1.00 53.51 C ATOM 983 CG MET A 66 -3.312 7.321 -7.227 1.00 61.31 C ATOM 984 SD MET A 66 -3.957 7.564 -5.565 1.00 40.02 S ATOM 985 CE MET A 66 -2.850 6.523 -4.620 1.00 21.00 C ATOM 0 H MET A 66 -2.326 9.449 -10.168 1.00 1.11 H new ATOM 0 HA MET A 66 -3.521 6.790 -9.908 1.00 52.51 H new ATOM 0 HB2 MET A 66 -4.092 9.134 -8.046 1.00 53.51 H new ATOM 0 HB3 MET A 66 -5.160 7.755 -8.210 1.00 53.51 H new ATOM 0 HG2 MET A 66 -3.313 6.257 -7.463 1.00 61.31 H new ATOM 0 HG3 MET A 66 -2.275 7.654 -7.264 1.00 61.31 H new ATOM 0 HE1 MET A 66 -3.426 5.761 -4.096 1.00 21.00 H new ATOM 0 HE2 MET A 66 -2.140 6.042 -5.293 1.00 21.00 H new ATOM 0 HE3 MET A 66 -2.309 7.131 -3.895 1.00 21.00 H new ATOM 995 N GLY A 67 -5.248 7.584 -11.509 1.00 13.23 N ATOM 996 CA GLY A 67 -6.283 8.017 -12.442 1.00 30.14 C ATOM 997 C GLY A 67 -7.634 7.373 -12.151 1.00 23.12 C ATOM 998 O GLY A 67 -8.667 8.042 -12.157 1.00 32.10 O ATOM 0 H GLY A 67 -5.034 6.587 -11.546 1.00 13.23 H new ATOM 0 HA2 GLY A 67 -6.382 9.101 -12.393 1.00 30.14 H new ATOM 0 HA3 GLY A 67 -5.978 7.771 -13.459 1.00 30.14 H new ATOM 1002 N GLY A 68 -7.620 6.064 -11.903 1.00 30.31 N ATOM 1003 CA GLY A 68 -8.842 5.344 -11.545 1.00 33.43 C ATOM 1004 C GLY A 68 -9.468 4.595 -12.719 1.00 74.11 C ATOM 1005 O GLY A 68 -10.186 3.611 -12.526 1.00 35.11 O ATOM 0 H GLY A 68 -6.782 5.483 -11.943 1.00 30.31 H new ATOM 0 HA2 GLY A 68 -8.617 4.634 -10.749 1.00 33.43 H new ATOM 0 HA3 GLY A 68 -9.569 6.052 -11.146 1.00 33.43 H new ATOM 1009 N GLY A 69 -9.198 5.064 -13.937 1.00 64.24 N ATOM 1010 CA GLY A 69 -9.757 4.439 -15.135 1.00 2.14 C ATOM 1011 C GLY A 69 -11.245 4.725 -15.309 1.00 22.05 C ATOM 1012 O GLY A 69 -11.636 5.578 -16.111 1.00 25.04 O ATOM 0 H GLY A 69 -8.599 5.869 -14.120 1.00 64.24 H new ATOM 0 HA2 GLY A 69 -9.218 4.797 -16.012 1.00 2.14 H new ATOM 0 HA3 GLY A 69 -9.602 3.361 -15.083 1.00 2.14 H new ATOM 1016 N LYS A 70 -12.079 4.012 -14.552 1.00 11.10 N ATOM 1017 CA LYS A 70 -13.529 4.221 -14.581 1.00 63.11 C ATOM 1018 C LYS A 70 -13.965 5.292 -13.562 1.00 2.12 C ATOM 1019 O LYS A 70 -14.009 5.047 -12.352 1.00 61.13 O ATOM 1020 CB LYS A 70 -14.268 2.897 -14.315 1.00 54.31 C ATOM 1021 CG LYS A 70 -13.867 2.209 -13.012 1.00 4.41 C ATOM 1022 CD LYS A 70 -14.729 0.982 -12.727 1.00 4.40 C ATOM 1023 CE LYS A 70 -14.350 0.318 -11.407 1.00 14.25 C ATOM 1024 NZ LYS A 70 -15.247 -0.821 -11.090 1.00 5.15 N ATOM 0 H LYS A 70 -11.775 3.282 -13.908 1.00 11.10 H new ATOM 0 HA LYS A 70 -13.793 4.580 -15.576 1.00 63.11 H new ATOM 0 HB2 LYS A 70 -15.341 3.090 -14.296 1.00 54.31 H new ATOM 0 HB3 LYS A 70 -14.081 2.216 -15.145 1.00 54.31 H new ATOM 0 HG2 LYS A 70 -12.820 1.912 -13.066 1.00 4.41 H new ATOM 0 HG3 LYS A 70 -13.956 2.915 -12.186 1.00 4.41 H new ATOM 0 HD2 LYS A 70 -15.779 1.274 -12.699 1.00 4.40 H new ATOM 0 HD3 LYS A 70 -14.619 0.264 -13.540 1.00 4.40 H new ATOM 0 HE2 LYS A 70 -13.319 -0.033 -11.459 1.00 14.25 H new ATOM 0 HE3 LYS A 70 -14.396 1.053 -10.603 1.00 14.25 H new ATOM 0 HZ1 LYS A 70 -14.960 -1.248 -10.186 1.00 5.15 H new ATOM 0 HZ2 LYS A 70 -16.227 -0.481 -11.016 1.00 5.15 H new ATOM 0 HZ3 LYS A 70 -15.184 -1.533 -11.845 1.00 5.15 H new ATOM 1038 N LEU A 71 -14.273 6.487 -14.055 1.00 73.11 N ATOM 1039 CA LEU A 71 -14.728 7.587 -13.196 1.00 63.53 C ATOM 1040 C LEU A 71 -16.207 7.406 -12.809 1.00 31.31 C ATOM 1041 O LEU A 71 -17.105 7.675 -13.612 1.00 51.23 O ATOM 1042 CB LEU A 71 -14.524 8.947 -13.893 1.00 50.40 C ATOM 1043 CG LEU A 71 -13.063 9.432 -14.015 1.00 61.40 C ATOM 1044 CD1 LEU A 71 -12.231 8.495 -14.890 1.00 11.25 C ATOM 1045 CD2 LEU A 71 -13.017 10.857 -14.560 1.00 54.13 C ATOM 0 H LEU A 71 -14.217 6.724 -15.046 1.00 73.11 H new ATOM 0 HA LEU A 71 -14.128 7.569 -12.286 1.00 63.53 H new ATOM 0 HB2 LEU A 71 -14.951 8.888 -14.894 1.00 50.40 H new ATOM 0 HB3 LEU A 71 -15.092 9.701 -13.348 1.00 50.40 H new ATOM 0 HG LEU A 71 -12.627 9.424 -13.016 1.00 61.40 H new ATOM 0 HD11 LEU A 71 -11.209 8.868 -14.953 1.00 11.25 H new ATOM 0 HD12 LEU A 71 -12.227 7.497 -14.452 1.00 11.25 H new ATOM 0 HD13 LEU A 71 -12.663 8.451 -15.890 1.00 11.25 H new ATOM 0 HD21 LEU A 71 -11.980 11.183 -14.639 1.00 54.13 H new ATOM 0 HD22 LEU A 71 -13.483 10.885 -15.545 1.00 54.13 H new ATOM 0 HD23 LEU A 71 -13.556 11.522 -13.885 1.00 54.13 H new ATOM 1057 N GLU A 72 -16.442 6.943 -11.579 1.00 62.32 N ATOM 1058 CA GLU A 72 -17.800 6.688 -11.070 1.00 35.05 C ATOM 1059 C GLU A 72 -18.573 5.696 -11.965 1.00 50.24 C ATOM 1060 O GLU A 72 -17.983 4.958 -12.760 1.00 0.13 O ATOM 1061 CB GLU A 72 -18.597 8.004 -10.938 1.00 73.00 C ATOM 1062 CG GLU A 72 -18.048 8.986 -9.899 1.00 2.42 C ATOM 1063 CD GLU A 72 -16.725 9.623 -10.304 1.00 35.35 C ATOM 1064 OE1 GLU A 72 -16.718 10.436 -11.252 1.00 62.52 O ATOM 1065 OE2 GLU A 72 -15.689 9.325 -9.672 1.00 61.11 O ATOM 0 H GLU A 72 -15.703 6.734 -10.908 1.00 62.32 H new ATOM 0 HA GLU A 72 -17.689 6.238 -10.083 1.00 35.05 H new ATOM 0 HB2 GLU A 72 -18.618 8.499 -11.909 1.00 73.00 H new ATOM 0 HB3 GLU A 72 -19.628 7.763 -10.680 1.00 73.00 H new ATOM 0 HG2 GLU A 72 -18.784 9.772 -9.730 1.00 2.42 H new ATOM 0 HG3 GLU A 72 -17.916 8.464 -8.952 1.00 2.42 H new ATOM 1072 N HIS A 73 -19.895 5.656 -11.793 1.00 11.05 N ATOM 1073 CA HIS A 73 -20.783 4.892 -12.680 1.00 11.22 C ATOM 1074 C HIS A 73 -21.860 5.804 -13.282 1.00 3.35 C ATOM 1075 O HIS A 73 -22.217 5.663 -14.450 1.00 42.04 O ATOM 1076 CB HIS A 73 -21.440 3.732 -11.918 1.00 2.31 C ATOM 1077 CG HIS A 73 -22.469 2.988 -12.721 1.00 22.23 C ATOM 1078 ND1 HIS A 73 -22.155 2.183 -13.795 1.00 42.44 N ATOM 1079 CD2 HIS A 73 -23.821 2.949 -12.611 1.00 44.13 C ATOM 1080 CE1 HIS A 73 -23.261 1.679 -14.307 1.00 24.05 C ATOM 1081 NE2 HIS A 73 -24.284 2.128 -13.608 1.00 74.24 N ATOM 0 H HIS A 73 -20.380 6.147 -11.042 1.00 11.05 H new ATOM 0 HA HIS A 73 -20.181 4.481 -13.490 1.00 11.22 H new ATOM 0 HB2 HIS A 73 -20.666 3.034 -11.599 1.00 2.31 H new ATOM 0 HB3 HIS A 73 -21.909 4.122 -11.015 1.00 2.31 H new ATOM 0 HD2 HIS A 73 -24.420 3.467 -11.877 1.00 44.13 H new ATOM 0 HE1 HIS A 73 -23.319 1.012 -15.155 1.00 24.05 H new ATOM 0 HE2 HIS A 73 -25.263 1.901 -13.781 1.00 74.24 H new ATOM 1090 N HIS A 74 -22.370 6.732 -12.467 1.00 60.22 N ATOM 1091 CA HIS A 74 -23.402 7.690 -12.888 1.00 42.30 C ATOM 1092 C HIS A 74 -24.743 6.982 -13.171 1.00 31.30 C ATOM 1093 O HIS A 74 -24.828 6.073 -13.995 1.00 12.23 O ATOM 1094 CB HIS A 74 -22.936 8.487 -14.117 1.00 71.34 C ATOM 1095 CG HIS A 74 -23.744 9.719 -14.390 1.00 25.21 C ATOM 1096 ND1 HIS A 74 -23.323 10.981 -14.041 1.00 24.11 N ATOM 1097 CD2 HIS A 74 -24.951 9.884 -14.988 1.00 2.01 C ATOM 1098 CE1 HIS A 74 -24.224 11.867 -14.413 1.00 61.02 C ATOM 1099 NE2 HIS A 74 -25.224 11.230 -14.991 1.00 63.32 N ATOM 0 H HIS A 74 -22.080 6.842 -11.495 1.00 60.22 H new ATOM 0 HA HIS A 74 -23.562 8.388 -12.067 1.00 42.30 H new ATOM 0 HB2 HIS A 74 -21.893 8.773 -13.977 1.00 71.34 H new ATOM 0 HB3 HIS A 74 -22.974 7.839 -14.993 1.00 71.34 H new ATOM 0 HD2 HIS A 74 -25.580 9.102 -15.387 1.00 2.01 H new ATOM 0 HE1 HIS A 74 -24.155 12.935 -14.269 1.00 61.02 H new ATOM 0 HE2 HIS A 74 -26.062 11.665 -15.377 1.00 63.32 H new ATOM 1108 N HIS A 75 -25.791 7.423 -12.489 1.00 42.23 N ATOM 1109 CA HIS A 75 -27.099 6.765 -12.563 1.00 24.21 C ATOM 1110 C HIS A 75 -27.885 7.153 -13.829 1.00 45.33 C ATOM 1111 O HIS A 75 -27.966 8.325 -14.195 1.00 21.41 O ATOM 1112 CB HIS A 75 -27.915 7.104 -11.308 1.00 60.44 C ATOM 1113 CG HIS A 75 -29.297 6.520 -11.294 1.00 31.32 C ATOM 1114 ND1 HIS A 75 -29.547 5.184 -11.084 1.00 65.23 N ATOM 1115 CD2 HIS A 75 -30.511 7.103 -11.457 1.00 14.23 C ATOM 1116 CE1 HIS A 75 -30.844 4.966 -11.122 1.00 41.50 C ATOM 1117 NE2 HIS A 75 -31.450 6.111 -11.345 1.00 31.52 N ATOM 0 H HIS A 75 -25.766 8.237 -11.874 1.00 42.23 H new ATOM 0 HA HIS A 75 -26.924 5.690 -12.617 1.00 24.21 H new ATOM 0 HB2 HIS A 75 -27.374 6.749 -10.431 1.00 60.44 H new ATOM 0 HB3 HIS A 75 -27.990 8.188 -11.219 1.00 60.44 H new ATOM 0 HD2 HIS A 75 -30.701 8.150 -11.640 1.00 14.23 H new ATOM 0 HE1 HIS A 75 -31.328 4.009 -10.992 1.00 41.50 H new ATOM 0 HE2 HIS A 75 -32.459 6.241 -11.422 1.00 31.52 H new ATOM 1126 N HIS A 76 -28.462 6.150 -14.489 1.00 13.34 N ATOM 1127 CA HIS A 76 -29.360 6.366 -15.635 1.00 72.41 C ATOM 1128 C HIS A 76 -30.793 5.935 -15.271 1.00 23.22 C ATOM 1129 O HIS A 76 -30.992 5.123 -14.363 1.00 12.30 O ATOM 1130 CB HIS A 76 -28.877 5.572 -16.860 1.00 63.13 C ATOM 1131 CG HIS A 76 -27.473 5.890 -17.289 1.00 42.22 C ATOM 1132 ND1 HIS A 76 -26.595 4.931 -17.749 1.00 20.34 N ATOM 1133 CD2 HIS A 76 -26.794 7.065 -17.340 1.00 0.05 C ATOM 1134 CE1 HIS A 76 -25.448 5.495 -18.061 1.00 14.35 C ATOM 1135 NE2 HIS A 76 -25.539 6.785 -17.823 1.00 23.34 N ATOM 0 H HIS A 76 -28.325 5.168 -14.250 1.00 13.34 H new ATOM 0 HA HIS A 76 -29.353 7.428 -15.881 1.00 72.41 H new ATOM 0 HB2 HIS A 76 -28.944 4.507 -16.637 1.00 63.13 H new ATOM 0 HB3 HIS A 76 -29.552 5.767 -17.694 1.00 63.13 H new ATOM 0 HD2 HIS A 76 -27.170 8.036 -17.055 1.00 0.05 H new ATOM 0 HE1 HIS A 76 -24.578 4.984 -18.447 1.00 14.35 H new ATOM 0 HE2 HIS A 76 -24.797 7.468 -17.973 1.00 23.34 H new ATOM 1144 N HIS A 77 -31.791 6.463 -15.977 1.00 54.35 N ATOM 1145 CA HIS A 77 -33.193 6.126 -15.691 1.00 3.32 C ATOM 1146 C HIS A 77 -34.009 5.881 -16.976 1.00 44.21 C ATOM 1147 O HIS A 77 -33.475 5.909 -18.089 1.00 53.24 O ATOM 1148 CB HIS A 77 -33.848 7.223 -14.830 1.00 42.20 C ATOM 1149 CG HIS A 77 -33.826 8.590 -15.445 1.00 12.44 C ATOM 1150 ND1 HIS A 77 -34.944 9.195 -15.974 1.00 15.21 N ATOM 1151 CD2 HIS A 77 -32.819 9.483 -15.590 1.00 71.23 C ATOM 1152 CE1 HIS A 77 -34.627 10.393 -16.416 1.00 21.15 C ATOM 1153 NE2 HIS A 77 -33.345 10.595 -16.197 1.00 73.50 N ATOM 0 H HIS A 77 -31.662 7.121 -16.746 1.00 54.35 H new ATOM 0 HA HIS A 77 -33.192 5.191 -15.130 1.00 3.32 H new ATOM 0 HB2 HIS A 77 -34.883 6.943 -14.633 1.00 42.20 H new ATOM 0 HB3 HIS A 77 -33.340 7.263 -13.867 1.00 42.20 H new ATOM 0 HD2 HIS A 77 -31.792 9.345 -15.285 1.00 71.23 H new ATOM 0 HE1 HIS A 77 -35.305 11.093 -16.881 1.00 21.15 H new ATOM 0 HE2 HIS A 77 -32.827 11.440 -16.439 1.00 73.50 H new ATOM 1162 N HIS A 78 -35.304 5.625 -16.802 1.00 71.43 N ATOM 1163 CA HIS A 78 -36.210 5.300 -17.915 1.00 21.30 C ATOM 1164 C HIS A 78 -37.545 6.067 -17.794 1.00 65.30 C ATOM 1165 O HIS A 78 -38.334 5.763 -16.871 1.00 37.94 O ATOM 1166 CB HIS A 78 -36.464 3.784 -17.953 1.00 70.24 C ATOM 1167 CG HIS A 78 -37.383 3.345 -19.053 1.00 4.40 C ATOM 1168 ND1 HIS A 78 -38.721 3.084 -18.852 1.00 20.41 N ATOM 1169 CD2 HIS A 78 -37.154 3.112 -20.368 1.00 74.41 C ATOM 1170 CE1 HIS A 78 -39.272 2.708 -19.987 1.00 23.20 C ATOM 1171 NE2 HIS A 78 -38.343 2.718 -20.922 1.00 73.42 N ATOM 1172 OXT HIS A 78 -37.797 6.967 -18.626 1.00 37.94 O ATOM 0 H HIS A 78 -35.760 5.636 -15.889 1.00 71.43 H new ATOM 0 HA HIS A 78 -35.734 5.609 -18.846 1.00 21.30 H new ATOM 0 HB2 HIS A 78 -35.510 3.269 -18.064 1.00 70.24 H new ATOM 0 HB3 HIS A 78 -36.885 3.473 -16.997 1.00 70.24 H new ATOM 0 HD2 HIS A 78 -36.211 3.217 -20.883 1.00 74.41 H new ATOM 0 HE1 HIS A 78 -40.308 2.438 -20.128 1.00 23.20 H new ATOM 0 HE2 HIS A 78 -38.487 2.472 -21.901 1.00 73.42 H new TER 1181 HIS A 78