USER MOD reduce.3.24.130724 H: found=0, std=0, add=732, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 728 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 111 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 113 ASN : amide:sc= -2.77! C(o=-2.8!,f=-3.1!) USER MOD Set 2.1: A 36 GLN : amide:sc= -21.6! C(o=-32!,f=-37!) USER MOD Set 2.2: A 48 ASN : amide:sc= -10.3! C(o=-32!,f=-45!) USER MOD Set 3.1: A 37 CYS SG : rot -146:sc= -7.63! USER MOD Set 3.2: A 47 CYS SG : rot -79:sc= -7.92! USER MOD Set 4.1: A 27 GLN : amide:sc= -0.0111 X(o=0.31,f=0.31) USER MOD Set 4.2: A 32 TYR OH : rot -15:sc= 0.319 USER MOD Single : A 1 ALA N :NH3+ 146:sc= 0.0106 (180deg=0) USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 THR OG1 : rot 180:sc= -1.04 USER MOD Single : A 8 THR OG1 : rot -140:sc= -5.78! USER MOD Single : A 10 SER OG : rot 63:sc= 0.0044 USER MOD Single : A 11 SER OG : rot 37:sc= 1.01 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 THR OG1 : rot -160:sc= -0.0197 USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot -150:sc= 0 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 64 SER OG : rot 180:sc= -0.264 USER MOD Single : A 65 THR OG1 : rot 52:sc= -1.01 USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 68 THR OG1 : rot 130:sc= -2.83! USER MOD Single : A 72 SER OG : rot -113:sc= 0.179 USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 THR OG1 : rot 180:sc= 0.0814 USER MOD Single : A 89 THR OG1 : rot 180:sc= 0.0107 USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 94 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 103 ASN : amide:sc= -9.31! C(o=-9.3!,f=-8.2!) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 0.482 13.344 -7.176 1.00 0.00 N ATOM 2 CA ALA A 1 1.769 13.689 -6.604 1.00 0.00 C ATOM 3 C ALA A 1 2.098 12.737 -5.463 1.00 0.00 C ATOM 4 O ALA A 1 1.256 12.477 -4.606 1.00 0.00 O ATOM 5 CB ALA A 1 1.735 15.132 -6.111 1.00 0.00 C ATOM 0 H1 ALA A 1 -0.001 14.209 -7.492 1.00 0.00 H new ATOM 0 H2 ALA A 1 0.622 12.710 -7.988 1.00 0.00 H new ATOM 0 H3 ALA A 1 -0.099 12.865 -6.459 1.00 0.00 H new ATOM 0 HA ALA A 1 2.545 13.597 -7.363 1.00 0.00 H new ATOM 0 HB1 ALA A 1 2.702 15.392 -5.681 1.00 0.00 H new ATOM 0 HB2 ALA A 1 1.519 15.797 -6.947 1.00 0.00 H new ATOM 0 HB3 ALA A 1 0.960 15.239 -5.352 1.00 0.00 H new ATOM 11 N ALA A 2 3.327 12.215 -5.454 1.00 0.00 N ATOM 12 CA ALA A 2 3.759 11.295 -4.422 1.00 0.00 C ATOM 13 C ALA A 2 5.047 11.801 -3.787 1.00 0.00 C ATOM 14 O ALA A 2 5.989 12.159 -4.491 1.00 0.00 O ATOM 15 CB ALA A 2 3.963 9.910 -5.029 1.00 0.00 C ATOM 0 H ALA A 2 4.037 12.421 -6.157 1.00 0.00 H new ATOM 0 HA ALA A 2 2.996 11.228 -3.646 1.00 0.00 H new ATOM 0 HB1 ALA A 2 4.288 9.217 -4.253 1.00 0.00 H new ATOM 0 HB2 ALA A 2 3.025 9.559 -5.459 1.00 0.00 H new ATOM 0 HB3 ALA A 2 4.722 9.963 -5.809 1.00 0.00 H new ATOM 21 N PRO A 3 5.086 11.830 -2.453 1.00 0.00 N ATOM 22 CA PRO A 3 6.224 12.277 -1.680 1.00 0.00 C ATOM 23 C PRO A 3 7.335 11.241 -1.760 1.00 0.00 C ATOM 24 O PRO A 3 7.198 10.232 -2.449 1.00 0.00 O ATOM 25 CB PRO A 3 5.699 12.408 -0.251 1.00 0.00 C ATOM 26 CG PRO A 3 4.602 11.346 -0.195 1.00 0.00 C ATOM 27 CD PRO A 3 3.996 11.416 -1.595 1.00 0.00 C ATOM 0 HA PRO A 3 6.640 13.217 -2.042 1.00 0.00 H new ATOM 0 HB2 PRO A 3 6.480 12.222 0.486 1.00 0.00 H new ATOM 0 HB3 PRO A 3 5.307 13.406 -0.054 1.00 0.00 H new ATOM 0 HG2 PRO A 3 5.006 10.357 0.022 1.00 0.00 H new ATOM 0 HG3 PRO A 3 3.865 11.566 0.577 1.00 0.00 H new ATOM 0 HD2 PRO A 3 3.597 10.449 -1.902 1.00 0.00 H new ATOM 0 HD3 PRO A 3 3.171 12.127 -1.633 1.00 0.00 H new ATOM 35 N THR A 4 8.441 11.491 -1.054 1.00 0.00 N ATOM 36 CA THR A 4 9.566 10.578 -1.053 1.00 0.00 C ATOM 37 C THR A 4 9.523 9.703 0.191 1.00 0.00 C ATOM 38 O THR A 4 9.752 10.183 1.299 1.00 0.00 O ATOM 39 CB THR A 4 10.866 11.375 -1.108 1.00 0.00 C ATOM 40 OG1 THR A 4 11.173 11.682 -2.450 1.00 0.00 O ATOM 41 CG2 THR A 4 11.997 10.547 -0.505 1.00 0.00 C ATOM 0 H THR A 4 8.573 12.322 -0.478 1.00 0.00 H new ATOM 0 HA THR A 4 9.513 9.931 -1.928 1.00 0.00 H new ATOM 0 HB THR A 4 10.750 12.299 -0.541 1.00 0.00 H new ATOM 0 HG1 THR A 4 12.007 12.195 -2.486 1.00 0.00 H new ATOM 0 HG21 THR A 4 12.926 11.116 -0.544 1.00 0.00 H new ATOM 0 HG22 THR A 4 11.761 10.309 0.532 1.00 0.00 H new ATOM 0 HG23 THR A 4 12.114 9.623 -1.072 1.00 0.00 H new ATOM 49 N ALA A 5 9.227 8.415 0.005 1.00 0.00 N ATOM 50 CA ALA A 5 9.154 7.480 1.110 1.00 0.00 C ATOM 51 C ALA A 5 10.052 6.283 0.832 1.00 0.00 C ATOM 52 O ALA A 5 10.028 5.727 -0.264 1.00 0.00 O ATOM 53 CB ALA A 5 7.707 7.036 1.305 1.00 0.00 C ATOM 0 H ALA A 5 9.035 8.002 -0.908 1.00 0.00 H new ATOM 0 HA ALA A 5 9.498 7.964 2.024 1.00 0.00 H new ATOM 0 HB1 ALA A 5 7.651 6.333 2.136 1.00 0.00 H new ATOM 0 HB2 ALA A 5 7.086 7.905 1.523 1.00 0.00 H new ATOM 0 HB3 ALA A 5 7.349 6.553 0.396 1.00 0.00 H new ATOM 59 N THR A 6 10.847 5.886 1.829 1.00 0.00 N ATOM 60 CA THR A 6 11.745 4.758 1.683 1.00 0.00 C ATOM 61 C THR A 6 11.098 3.503 2.249 1.00 0.00 C ATOM 62 O THR A 6 10.836 3.422 3.447 1.00 0.00 O ATOM 63 CB THR A 6 13.058 5.059 2.399 1.00 0.00 C ATOM 64 OG1 THR A 6 12.810 5.903 3.501 1.00 0.00 O ATOM 65 CG2 THR A 6 14.017 5.752 1.435 1.00 0.00 C ATOM 0 H THR A 6 10.881 6.336 2.744 1.00 0.00 H new ATOM 0 HA THR A 6 11.952 4.589 0.626 1.00 0.00 H new ATOM 0 HB THR A 6 13.503 4.127 2.747 1.00 0.00 H new ATOM 0 HG1 THR A 6 13.653 6.095 3.962 1.00 0.00 H new ATOM 0 HG21 THR A 6 14.955 5.967 1.947 1.00 0.00 H new ATOM 0 HG22 THR A 6 14.210 5.101 0.582 1.00 0.00 H new ATOM 0 HG23 THR A 6 13.572 6.684 1.086 1.00 0.00 H new ATOM 73 N VAL A 7 10.841 2.520 1.383 1.00 0.00 N ATOM 74 CA VAL A 7 10.227 1.275 1.798 1.00 0.00 C ATOM 75 C VAL A 7 11.229 0.137 1.662 1.00 0.00 C ATOM 76 O VAL A 7 12.169 0.226 0.876 1.00 0.00 O ATOM 77 CB VAL A 7 8.989 1.010 0.947 1.00 0.00 C ATOM 78 CG1 VAL A 7 8.371 2.339 0.520 1.00 0.00 C ATOM 79 CG2 VAL A 7 9.384 0.212 -0.292 1.00 0.00 C ATOM 0 H VAL A 7 11.053 2.571 0.387 1.00 0.00 H new ATOM 0 HA VAL A 7 9.924 1.344 2.843 1.00 0.00 H new ATOM 0 HB VAL A 7 8.263 0.442 1.529 1.00 0.00 H new ATOM 0 HG11 VAL A 7 7.486 2.150 -0.088 1.00 0.00 H new ATOM 0 HG12 VAL A 7 8.088 2.910 1.405 1.00 0.00 H new ATOM 0 HG13 VAL A 7 9.097 2.907 -0.062 1.00 0.00 H new ATOM 0 HG21 VAL A 7 8.499 0.023 -0.900 1.00 0.00 H new ATOM 0 HG22 VAL A 7 10.110 0.780 -0.874 1.00 0.00 H new ATOM 0 HG23 VAL A 7 9.825 -0.737 0.012 1.00 0.00 H new ATOM 89 N THR A 8 11.026 -0.936 2.431 1.00 0.00 N ATOM 90 CA THR A 8 11.912 -2.082 2.388 1.00 0.00 C ATOM 91 C THR A 8 11.774 -2.794 1.050 1.00 0.00 C ATOM 92 O THR A 8 10.937 -2.424 0.229 1.00 0.00 O ATOM 93 CB THR A 8 11.577 -3.025 3.539 1.00 0.00 C ATOM 94 OG1 THR A 8 12.770 -3.545 4.082 1.00 0.00 O ATOM 95 CG2 THR A 8 10.711 -4.171 3.024 1.00 0.00 C ATOM 0 H THR A 8 10.252 -1.027 3.089 1.00 0.00 H new ATOM 0 HA THR A 8 12.945 -1.751 2.494 1.00 0.00 H new ATOM 0 HB THR A 8 11.034 -2.478 4.310 1.00 0.00 H new ATOM 0 HG1 THR A 8 12.645 -4.492 4.299 1.00 0.00 H new ATOM 0 HG21 THR A 8 10.472 -4.845 3.847 1.00 0.00 H new ATOM 0 HG22 THR A 8 9.789 -3.770 2.604 1.00 0.00 H new ATOM 0 HG23 THR A 8 11.253 -4.718 2.253 1.00 0.00 H new ATOM 103 N PRO A 9 12.599 -3.820 0.832 1.00 0.00 N ATOM 104 CA PRO A 9 12.611 -4.615 -0.378 1.00 0.00 C ATOM 105 C PRO A 9 11.378 -5.506 -0.415 1.00 0.00 C ATOM 106 O PRO A 9 11.204 -6.364 0.447 1.00 0.00 O ATOM 107 CB PRO A 9 13.887 -5.449 -0.285 1.00 0.00 C ATOM 108 CG PRO A 9 14.068 -5.625 1.222 1.00 0.00 C ATOM 109 CD PRO A 9 13.595 -4.282 1.775 1.00 0.00 C ATOM 0 HA PRO A 9 12.593 -4.010 -1.284 1.00 0.00 H new ATOM 0 HB2 PRO A 9 13.782 -6.407 -0.794 1.00 0.00 H new ATOM 0 HB3 PRO A 9 14.737 -4.939 -0.738 1.00 0.00 H new ATOM 0 HG2 PRO A 9 13.474 -6.454 1.607 1.00 0.00 H new ATOM 0 HG3 PRO A 9 15.106 -5.828 1.484 1.00 0.00 H new ATOM 0 HD2 PRO A 9 13.172 -4.393 2.773 1.00 0.00 H new ATOM 0 HD3 PRO A 9 14.421 -3.575 1.855 1.00 0.00 H new ATOM 117 N SER A 10 10.521 -5.300 -1.418 1.00 0.00 N ATOM 118 CA SER A 10 9.312 -6.085 -1.561 1.00 0.00 C ATOM 119 C SER A 10 9.424 -6.991 -2.779 1.00 0.00 C ATOM 120 O SER A 10 8.513 -7.045 -3.602 1.00 0.00 O ATOM 121 CB SER A 10 8.113 -5.149 -1.692 1.00 0.00 C ATOM 122 OG SER A 10 8.499 -3.986 -2.389 1.00 0.00 O ATOM 0 H SER A 10 10.651 -4.592 -2.141 1.00 0.00 H new ATOM 0 HA SER A 10 9.174 -6.712 -0.680 1.00 0.00 H new ATOM 0 HB2 SER A 10 7.303 -5.651 -2.221 1.00 0.00 H new ATOM 0 HB3 SER A 10 7.734 -4.885 -0.705 1.00 0.00 H new ATOM 0 HG SER A 10 8.777 -4.226 -3.298 1.00 0.00 H new ATOM 128 N SER A 11 10.547 -7.704 -2.892 1.00 0.00 N ATOM 129 CA SER A 11 10.771 -8.604 -4.006 1.00 0.00 C ATOM 130 C SER A 11 11.139 -9.987 -3.487 1.00 0.00 C ATOM 131 O SER A 11 12.253 -10.198 -3.013 1.00 0.00 O ATOM 132 CB SER A 11 11.880 -8.047 -4.894 1.00 0.00 C ATOM 133 OG SER A 11 13.066 -7.923 -4.141 1.00 0.00 O ATOM 0 H SER A 11 11.313 -7.669 -2.219 1.00 0.00 H new ATOM 0 HA SER A 11 9.859 -8.691 -4.597 1.00 0.00 H new ATOM 0 HB2 SER A 11 12.045 -8.707 -5.746 1.00 0.00 H new ATOM 0 HB3 SER A 11 11.587 -7.076 -5.294 1.00 0.00 H new ATOM 0 HG SER A 11 13.139 -8.677 -3.520 1.00 0.00 H new ATOM 139 N GLY A 12 10.199 -10.930 -3.578 1.00 0.00 N ATOM 140 CA GLY A 12 10.433 -12.284 -3.118 1.00 0.00 C ATOM 141 C GLY A 12 9.982 -12.436 -1.672 1.00 0.00 C ATOM 142 O GLY A 12 10.529 -13.248 -0.929 1.00 0.00 O ATOM 0 H GLY A 12 9.270 -10.772 -3.968 1.00 0.00 H new ATOM 0 HA2 GLY A 12 9.893 -12.989 -3.750 1.00 0.00 H new ATOM 0 HA3 GLY A 12 11.492 -12.526 -3.203 1.00 0.00 H new ATOM 146 N LEU A 13 8.978 -11.650 -1.273 1.00 0.00 N ATOM 147 CA LEU A 13 8.459 -11.699 0.079 1.00 0.00 C ATOM 148 C LEU A 13 7.080 -12.344 0.079 1.00 0.00 C ATOM 149 O LEU A 13 6.213 -11.961 -0.704 1.00 0.00 O ATOM 150 CB LEU A 13 8.394 -10.286 0.650 1.00 0.00 C ATOM 151 CG LEU A 13 9.560 -9.464 0.107 1.00 0.00 C ATOM 152 CD1 LEU A 13 9.890 -8.340 1.085 1.00 0.00 C ATOM 153 CD2 LEU A 13 10.780 -10.364 -0.066 1.00 0.00 C ATOM 0 H LEU A 13 8.513 -10.972 -1.877 1.00 0.00 H new ATOM 0 HA LEU A 13 9.120 -12.299 0.704 1.00 0.00 H new ATOM 0 HB2 LEU A 13 7.448 -9.817 0.381 1.00 0.00 H new ATOM 0 HB3 LEU A 13 8.435 -10.320 1.739 1.00 0.00 H new ATOM 0 HG LEU A 13 9.285 -9.036 -0.857 1.00 0.00 H new ATOM 0 HD11 LEU A 13 10.723 -7.753 0.697 1.00 0.00 H new ATOM 0 HD12 LEU A 13 9.019 -7.697 1.208 1.00 0.00 H new ATOM 0 HD13 LEU A 13 10.165 -8.766 2.050 1.00 0.00 H new ATOM 0 HD21 LEU A 13 11.613 -9.777 -0.454 1.00 0.00 H new ATOM 0 HD22 LEU A 13 11.056 -10.793 0.898 1.00 0.00 H new ATOM 0 HD23 LEU A 13 10.544 -11.166 -0.766 1.00 0.00 H new ATOM 165 N SER A 14 6.878 -13.325 0.961 1.00 0.00 N ATOM 166 CA SER A 14 5.607 -14.015 1.058 1.00 0.00 C ATOM 167 C SER A 14 4.961 -13.720 2.404 1.00 0.00 C ATOM 168 O SER A 14 5.544 -13.028 3.237 1.00 0.00 O ATOM 169 CB SER A 14 5.829 -15.515 0.882 1.00 0.00 C ATOM 170 OG SER A 14 4.690 -16.090 0.282 1.00 0.00 O ATOM 0 H SER A 14 7.586 -13.654 1.617 1.00 0.00 H new ATOM 0 HA SER A 14 4.938 -13.665 0.272 1.00 0.00 H new ATOM 0 HB2 SER A 14 6.709 -15.693 0.263 1.00 0.00 H new ATOM 0 HB3 SER A 14 6.019 -15.982 1.849 1.00 0.00 H new ATOM 0 HG SER A 14 4.832 -17.053 0.167 1.00 0.00 H new ATOM 176 N ASP A 15 3.753 -14.247 2.616 1.00 0.00 N ATOM 177 CA ASP A 15 3.035 -14.038 3.858 1.00 0.00 C ATOM 178 C ASP A 15 3.973 -14.253 5.037 1.00 0.00 C ATOM 179 O ASP A 15 4.787 -15.174 5.025 1.00 0.00 O ATOM 180 CB ASP A 15 1.850 -14.996 3.926 1.00 0.00 C ATOM 181 CG ASP A 15 1.513 -15.342 5.370 1.00 0.00 C ATOM 182 OD1 ASP A 15 1.396 -14.388 6.169 1.00 0.00 O ATOM 183 OD2 ASP A 15 1.378 -16.553 5.647 1.00 0.00 O ATOM 0 H ASP A 15 3.257 -14.823 1.936 1.00 0.00 H new ATOM 0 HA ASP A 15 2.660 -13.015 3.900 1.00 0.00 H new ATOM 0 HB2 ASP A 15 0.983 -14.543 3.445 1.00 0.00 H new ATOM 0 HB3 ASP A 15 2.082 -15.907 3.374 1.00 0.00 H new ATOM 188 N GLY A 16 3.858 -13.401 6.059 1.00 0.00 N ATOM 189 CA GLY A 16 4.696 -13.507 7.236 1.00 0.00 C ATOM 190 C GLY A 16 5.777 -12.435 7.212 1.00 0.00 C ATOM 191 O GLY A 16 6.316 -12.070 8.254 1.00 0.00 O ATOM 0 H GLY A 16 3.189 -12.632 6.086 1.00 0.00 H new ATOM 0 HA2 GLY A 16 4.088 -13.400 8.135 1.00 0.00 H new ATOM 0 HA3 GLY A 16 5.155 -14.495 7.277 1.00 0.00 H new ATOM 195 N THR A 17 6.093 -11.930 6.017 1.00 0.00 N ATOM 196 CA THR A 17 7.105 -10.904 5.868 1.00 0.00 C ATOM 197 C THR A 17 6.501 -9.535 6.145 1.00 0.00 C ATOM 198 O THR A 17 5.313 -9.320 5.917 1.00 0.00 O ATOM 199 CB THR A 17 7.684 -10.963 4.457 1.00 0.00 C ATOM 200 OG1 THR A 17 8.487 -12.115 4.327 1.00 0.00 O ATOM 201 CG2 THR A 17 8.532 -9.721 4.202 1.00 0.00 C ATOM 0 H THR A 17 5.657 -12.221 5.142 1.00 0.00 H new ATOM 0 HA THR A 17 7.908 -11.075 6.585 1.00 0.00 H new ATOM 0 HB THR A 17 6.871 -11.002 3.732 1.00 0.00 H new ATOM 0 HG1 THR A 17 8.858 -12.155 3.421 1.00 0.00 H new ATOM 0 HG21 THR A 17 8.945 -9.763 3.194 1.00 0.00 H new ATOM 0 HG22 THR A 17 7.912 -8.830 4.303 1.00 0.00 H new ATOM 0 HG23 THR A 17 9.345 -9.681 4.926 1.00 0.00 H new ATOM 209 N VAL A 18 7.325 -8.608 6.639 1.00 0.00 N ATOM 210 CA VAL A 18 6.871 -7.266 6.945 1.00 0.00 C ATOM 211 C VAL A 18 7.681 -6.254 6.147 1.00 0.00 C ATOM 212 O VAL A 18 8.907 -6.233 6.232 1.00 0.00 O ATOM 213 CB VAL A 18 7.011 -7.012 8.443 1.00 0.00 C ATOM 214 CG1 VAL A 18 8.484 -7.085 8.836 1.00 0.00 C ATOM 215 CG2 VAL A 18 6.464 -5.627 8.777 1.00 0.00 C ATOM 0 H VAL A 18 8.313 -8.772 6.833 1.00 0.00 H new ATOM 0 HA VAL A 18 5.822 -7.160 6.669 1.00 0.00 H new ATOM 0 HB VAL A 18 6.450 -7.767 8.994 1.00 0.00 H new ATOM 0 HG11 VAL A 18 8.584 -6.904 9.906 1.00 0.00 H new ATOM 0 HG12 VAL A 18 8.876 -8.074 8.597 1.00 0.00 H new ATOM 0 HG13 VAL A 18 9.045 -6.330 8.286 1.00 0.00 H new ATOM 0 HG21 VAL A 18 6.564 -5.445 9.847 1.00 0.00 H new ATOM 0 HG22 VAL A 18 7.025 -4.872 8.227 1.00 0.00 H new ATOM 0 HG23 VAL A 18 5.412 -5.574 8.496 1.00 0.00 H new ATOM 225 N VAL A 19 6.992 -5.414 5.371 1.00 0.00 N ATOM 226 CA VAL A 19 7.649 -4.405 4.564 1.00 0.00 C ATOM 227 C VAL A 19 7.781 -3.115 5.360 1.00 0.00 C ATOM 228 O VAL A 19 7.045 -2.897 6.320 1.00 0.00 O ATOM 229 CB VAL A 19 6.846 -4.174 3.288 1.00 0.00 C ATOM 230 CG1 VAL A 19 7.038 -5.357 2.344 1.00 0.00 C ATOM 231 CG2 VAL A 19 5.366 -4.037 3.636 1.00 0.00 C ATOM 0 H VAL A 19 5.975 -5.420 5.290 1.00 0.00 H new ATOM 0 HA VAL A 19 8.648 -4.744 4.292 1.00 0.00 H new ATOM 0 HB VAL A 19 7.192 -3.262 2.802 1.00 0.00 H new ATOM 0 HG11 VAL A 19 6.464 -5.192 1.432 1.00 0.00 H new ATOM 0 HG12 VAL A 19 8.095 -5.456 2.095 1.00 0.00 H new ATOM 0 HG13 VAL A 19 6.693 -6.270 2.830 1.00 0.00 H new ATOM 0 HG21 VAL A 19 4.792 -3.872 2.724 1.00 0.00 H new ATOM 0 HG22 VAL A 19 5.021 -4.949 4.122 1.00 0.00 H new ATOM 0 HG23 VAL A 19 5.227 -3.192 4.310 1.00 0.00 H new ATOM 241 N LYS A 20 8.723 -2.257 4.959 1.00 0.00 N ATOM 242 CA LYS A 20 8.944 -0.996 5.636 1.00 0.00 C ATOM 243 C LYS A 20 8.480 0.154 4.753 1.00 0.00 C ATOM 244 O LYS A 20 8.539 0.063 3.529 1.00 0.00 O ATOM 245 CB LYS A 20 10.425 -0.854 5.975 1.00 0.00 C ATOM 246 CG LYS A 20 10.578 -0.042 7.258 1.00 0.00 C ATOM 247 CD LYS A 20 10.496 1.446 6.932 1.00 0.00 C ATOM 248 CE LYS A 20 11.869 2.085 7.119 1.00 0.00 C ATOM 249 NZ LYS A 20 12.079 2.486 8.518 1.00 0.00 N ATOM 0 H LYS A 20 9.342 -2.422 4.165 1.00 0.00 H new ATOM 0 HA LYS A 20 8.369 -0.971 6.561 1.00 0.00 H new ATOM 0 HB2 LYS A 20 10.877 -1.838 6.099 1.00 0.00 H new ATOM 0 HB3 LYS A 20 10.951 -0.363 5.156 1.00 0.00 H new ATOM 0 HG2 LYS A 20 9.796 -0.313 7.968 1.00 0.00 H new ATOM 0 HG3 LYS A 20 11.533 -0.269 7.733 1.00 0.00 H new ATOM 0 HD2 LYS A 20 10.155 1.586 5.906 1.00 0.00 H new ATOM 0 HD3 LYS A 20 9.766 1.931 7.580 1.00 0.00 H new ATOM 0 HE2 LYS A 20 12.645 1.381 6.819 1.00 0.00 H new ATOM 0 HE3 LYS A 20 11.960 2.956 6.470 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 13.020 2.918 8.618 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 11.351 3.175 8.795 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 12.015 1.649 9.132 1.00 0.00 H new ATOM 263 N VAL A 21 8.017 1.239 5.379 1.00 0.00 N ATOM 264 CA VAL A 21 7.547 2.400 4.650 1.00 0.00 C ATOM 265 C VAL A 21 7.894 3.667 5.420 1.00 0.00 C ATOM 266 O VAL A 21 7.364 3.902 6.503 1.00 0.00 O ATOM 267 CB VAL A 21 6.039 2.290 4.440 1.00 0.00 C ATOM 268 CG1 VAL A 21 5.317 3.155 5.470 1.00 0.00 C ATOM 269 CG2 VAL A 21 5.686 2.771 3.035 1.00 0.00 C ATOM 0 H VAL A 21 7.961 1.329 6.393 1.00 0.00 H new ATOM 0 HA VAL A 21 8.034 2.446 3.676 1.00 0.00 H new ATOM 0 HB VAL A 21 5.730 1.251 4.558 1.00 0.00 H new ATOM 0 HG11 VAL A 21 4.240 3.077 5.320 1.00 0.00 H new ATOM 0 HG12 VAL A 21 5.570 2.813 6.474 1.00 0.00 H new ATOM 0 HG13 VAL A 21 5.625 4.194 5.353 1.00 0.00 H new ATOM 0 HG21 VAL A 21 4.609 2.693 2.884 1.00 0.00 H new ATOM 0 HG22 VAL A 21 5.995 3.810 2.918 1.00 0.00 H new ATOM 0 HG23 VAL A 21 6.202 2.154 2.299 1.00 0.00 H new ATOM 279 N ALA A 22 8.787 4.483 4.856 1.00 0.00 N ATOM 280 CA ALA A 22 9.200 5.719 5.490 1.00 0.00 C ATOM 281 C ALA A 22 8.997 6.883 4.532 1.00 0.00 C ATOM 282 O ALA A 22 9.617 6.933 3.472 1.00 0.00 O ATOM 283 CB ALA A 22 10.663 5.611 5.908 1.00 0.00 C ATOM 0 H ALA A 22 9.235 4.302 3.958 1.00 0.00 H new ATOM 0 HA ALA A 22 8.594 5.897 6.379 1.00 0.00 H new ATOM 0 HB1 ALA A 22 10.975 6.540 6.385 1.00 0.00 H new ATOM 0 HB2 ALA A 22 10.781 4.785 6.610 1.00 0.00 H new ATOM 0 HB3 ALA A 22 11.280 5.430 5.028 1.00 0.00 H new ATOM 289 N GLY A 23 8.125 7.823 4.905 1.00 0.00 N ATOM 290 CA GLY A 23 7.848 8.978 4.075 1.00 0.00 C ATOM 291 C GLY A 23 8.889 10.063 4.317 1.00 0.00 C ATOM 292 O GLY A 23 9.401 10.199 5.425 1.00 0.00 O ATOM 0 H GLY A 23 7.602 7.799 5.780 1.00 0.00 H new ATOM 0 HA2 GLY A 23 7.852 8.689 3.024 1.00 0.00 H new ATOM 0 HA3 GLY A 23 6.853 9.363 4.296 1.00 0.00 H new ATOM 296 N ALA A 24 9.200 10.836 3.273 1.00 0.00 N ATOM 297 CA ALA A 24 10.176 11.902 3.376 1.00 0.00 C ATOM 298 C ALA A 24 9.817 13.024 2.413 1.00 0.00 C ATOM 299 O ALA A 24 9.904 12.855 1.199 1.00 0.00 O ATOM 300 CB ALA A 24 11.565 11.349 3.068 1.00 0.00 C ATOM 0 H ALA A 24 8.783 10.736 2.347 1.00 0.00 H new ATOM 0 HA ALA A 24 10.176 12.305 4.389 1.00 0.00 H new ATOM 0 HB1 ALA A 24 12.301 12.150 3.145 1.00 0.00 H new ATOM 0 HB2 ALA A 24 11.810 10.562 3.781 1.00 0.00 H new ATOM 0 HB3 ALA A 24 11.578 10.940 2.058 1.00 0.00 H new ATOM 306 N GLY A 25 9.411 14.174 2.957 1.00 0.00 N ATOM 307 CA GLY A 25 9.041 15.313 2.141 1.00 0.00 C ATOM 308 C GLY A 25 7.527 15.407 2.020 1.00 0.00 C ATOM 309 O GLY A 25 7.012 16.113 1.156 1.00 0.00 O ATOM 0 H GLY A 25 9.333 14.332 3.962 1.00 0.00 H new ATOM 0 HA2 GLY A 25 9.435 16.228 2.583 1.00 0.00 H new ATOM 0 HA3 GLY A 25 9.487 15.219 1.151 1.00 0.00 H new ATOM 313 N LEU A 26 6.812 14.691 2.892 1.00 0.00 N ATOM 314 CA LEU A 26 5.363 14.696 2.880 1.00 0.00 C ATOM 315 C LEU A 26 4.843 15.796 3.794 1.00 0.00 C ATOM 316 O LEU A 26 5.623 16.483 4.449 1.00 0.00 O ATOM 317 CB LEU A 26 4.846 13.332 3.328 1.00 0.00 C ATOM 318 CG LEU A 26 6.002 12.336 3.358 1.00 0.00 C ATOM 319 CD1 LEU A 26 6.732 12.444 4.694 1.00 0.00 C ATOM 320 CD2 LEU A 26 5.457 10.920 3.189 1.00 0.00 C ATOM 0 H LEU A 26 7.224 14.101 3.615 1.00 0.00 H new ATOM 0 HA LEU A 26 5.005 14.891 1.869 1.00 0.00 H new ATOM 0 HB2 LEU A 26 4.393 13.409 4.316 1.00 0.00 H new ATOM 0 HB3 LEU A 26 4.069 12.984 2.647 1.00 0.00 H new ATOM 0 HG LEU A 26 6.695 12.558 2.547 1.00 0.00 H new ATOM 0 HD11 LEU A 26 7.558 11.733 4.716 1.00 0.00 H new ATOM 0 HD12 LEU A 26 7.121 13.455 4.816 1.00 0.00 H new ATOM 0 HD13 LEU A 26 6.040 12.221 5.506 1.00 0.00 H new ATOM 0 HD21 LEU A 26 6.282 10.208 3.210 1.00 0.00 H new ATOM 0 HD22 LEU A 26 4.764 10.697 4.001 1.00 0.00 H new ATOM 0 HD23 LEU A 26 4.935 10.842 2.235 1.00 0.00 H new ATOM 332 N GLN A 27 3.519 15.962 3.838 1.00 0.00 N ATOM 333 CA GLN A 27 2.903 16.977 4.669 1.00 0.00 C ATOM 334 C GLN A 27 3.268 16.741 6.128 1.00 0.00 C ATOM 335 O GLN A 27 2.986 15.678 6.677 1.00 0.00 O ATOM 336 CB GLN A 27 1.389 16.938 4.478 1.00 0.00 C ATOM 337 CG GLN A 27 1.033 17.516 3.111 1.00 0.00 C ATOM 338 CD GLN A 27 -0.430 17.263 2.779 1.00 0.00 C ATOM 339 OE1 GLN A 27 -1.209 18.204 2.641 1.00 0.00 O ATOM 340 NE2 GLN A 27 -0.803 15.988 2.652 1.00 0.00 N ATOM 0 H GLN A 27 2.858 15.400 3.302 1.00 0.00 H new ATOM 0 HA GLN A 27 3.269 17.962 4.378 1.00 0.00 H new ATOM 0 HB2 GLN A 27 1.028 15.912 4.556 1.00 0.00 H new ATOM 0 HB3 GLN A 27 0.898 17.510 5.265 1.00 0.00 H new ATOM 0 HG2 GLN A 27 1.232 18.588 3.102 1.00 0.00 H new ATOM 0 HG3 GLN A 27 1.667 17.067 2.346 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -0.119 15.242 2.776 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -1.772 15.760 2.431 1.00 0.00 H new ATOM 349 N ALA A 28 3.898 17.737 6.755 1.00 0.00 N ATOM 350 CA ALA A 28 4.298 17.634 8.144 1.00 0.00 C ATOM 351 C ALA A 28 3.071 17.712 9.042 1.00 0.00 C ATOM 352 O ALA A 28 2.252 18.616 8.899 1.00 0.00 O ATOM 353 CB ALA A 28 5.282 18.753 8.474 1.00 0.00 C ATOM 0 H ALA A 28 4.139 18.624 6.313 1.00 0.00 H new ATOM 0 HA ALA A 28 4.788 16.675 8.315 1.00 0.00 H new ATOM 0 HB1 ALA A 28 5.583 18.676 9.519 1.00 0.00 H new ATOM 0 HB2 ALA A 28 6.161 18.665 7.835 1.00 0.00 H new ATOM 0 HB3 ALA A 28 4.805 19.718 8.304 1.00 0.00 H new ATOM 359 N GLY A 29 2.945 16.760 9.969 1.00 0.00 N ATOM 360 CA GLY A 29 1.819 16.730 10.881 1.00 0.00 C ATOM 361 C GLY A 29 0.581 16.197 10.172 1.00 0.00 C ATOM 362 O GLY A 29 -0.513 16.212 10.732 1.00 0.00 O ATOM 0 H GLY A 29 3.615 16.002 10.101 1.00 0.00 H new ATOM 0 HA2 GLY A 29 2.054 16.101 11.740 1.00 0.00 H new ATOM 0 HA3 GLY A 29 1.625 17.732 11.263 1.00 0.00 H new ATOM 366 N THR A 30 0.756 15.725 8.936 1.00 0.00 N ATOM 367 CA THR A 30 -0.347 15.191 8.162 1.00 0.00 C ATOM 368 C THR A 30 -0.451 13.688 8.376 1.00 0.00 C ATOM 369 O THR A 30 0.563 12.999 8.466 1.00 0.00 O ATOM 370 CB THR A 30 -0.135 15.514 6.686 1.00 0.00 C ATOM 371 OG1 THR A 30 -1.143 16.397 6.248 1.00 0.00 O ATOM 372 CG2 THR A 30 -0.197 14.226 5.869 1.00 0.00 C ATOM 0 H THR A 30 1.656 15.705 8.456 1.00 0.00 H new ATOM 0 HA THR A 30 -1.280 15.648 8.491 1.00 0.00 H new ATOM 0 HB THR A 30 0.840 15.982 6.553 1.00 0.00 H new ATOM 0 HG1 THR A 30 -1.209 16.359 5.271 1.00 0.00 H new ATOM 0 HG21 THR A 30 -0.046 14.456 4.814 1.00 0.00 H new ATOM 0 HG22 THR A 30 0.582 13.543 6.207 1.00 0.00 H new ATOM 0 HG23 THR A 30 -1.172 13.758 6.002 1.00 0.00 H new ATOM 380 N ALA A 31 -1.683 13.180 8.456 1.00 0.00 N ATOM 381 CA ALA A 31 -1.915 11.764 8.659 1.00 0.00 C ATOM 382 C ALA A 31 -1.955 11.051 7.315 1.00 0.00 C ATOM 383 O ALA A 31 -2.349 11.638 6.310 1.00 0.00 O ATOM 384 CB ALA A 31 -3.225 11.567 9.416 1.00 0.00 C ATOM 0 H ALA A 31 -2.533 13.738 8.382 1.00 0.00 H new ATOM 0 HA ALA A 31 -1.103 11.339 9.249 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -3.400 10.502 9.569 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -3.166 12.068 10.382 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -4.046 11.990 8.838 1.00 0.00 H new ATOM 390 N TYR A 32 -1.545 9.780 7.299 1.00 0.00 N ATOM 391 CA TYR A 32 -1.535 8.998 6.079 1.00 0.00 C ATOM 392 C TYR A 32 -2.084 7.605 6.356 1.00 0.00 C ATOM 393 O TYR A 32 -1.763 7.000 7.376 1.00 0.00 O ATOM 394 CB TYR A 32 -0.111 8.920 5.538 1.00 0.00 C ATOM 395 CG TYR A 32 0.355 10.199 4.883 1.00 0.00 C ATOM 396 CD1 TYR A 32 -0.303 10.682 3.745 1.00 0.00 C ATOM 397 CD2 TYR A 32 1.444 10.900 5.413 1.00 0.00 C ATOM 398 CE1 TYR A 32 0.129 11.868 3.138 1.00 0.00 C ATOM 399 CE2 TYR A 32 1.876 12.086 4.806 1.00 0.00 C ATOM 400 CZ TYR A 32 1.218 12.570 3.668 1.00 0.00 C ATOM 401 OH TYR A 32 1.638 13.725 3.077 1.00 0.00 O ATOM 0 H TYR A 32 -1.217 9.278 8.124 1.00 0.00 H new ATOM 0 HA TYR A 32 -2.168 9.475 5.331 1.00 0.00 H new ATOM 0 HB2 TYR A 32 0.567 8.672 6.355 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -0.050 8.107 4.814 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -1.143 10.140 3.336 1.00 0.00 H new ATOM 0 HD2 TYR A 32 1.951 10.526 6.290 1.00 0.00 H new ATOM 0 HE1 TYR A 32 -0.378 12.241 2.261 1.00 0.00 H new ATOM 0 HE2 TYR A 32 2.716 12.627 5.215 1.00 0.00 H new ATOM 0 HH TYR A 32 1.245 13.796 2.182 1.00 0.00 H new ATOM 411 N ASP A 33 -2.914 7.096 5.442 1.00 0.00 N ATOM 412 CA ASP A 33 -3.502 5.780 5.592 1.00 0.00 C ATOM 413 C ASP A 33 -2.733 4.773 4.749 1.00 0.00 C ATOM 414 O ASP A 33 -2.744 4.851 3.522 1.00 0.00 O ATOM 415 CB ASP A 33 -4.968 5.829 5.173 1.00 0.00 C ATOM 416 CG ASP A 33 -5.444 4.462 4.701 1.00 0.00 C ATOM 417 OD1 ASP A 33 -4.970 3.463 5.284 1.00 0.00 O ATOM 418 OD2 ASP A 33 -6.273 4.442 3.765 1.00 0.00 O ATOM 0 H ASP A 33 -3.189 7.584 4.590 1.00 0.00 H new ATOM 0 HA ASP A 33 -3.446 5.468 6.635 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -5.579 6.162 6.012 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -5.098 6.559 4.374 1.00 0.00 H new ATOM 423 N VAL A 34 -2.063 3.826 5.410 1.00 0.00 N ATOM 424 CA VAL A 34 -1.293 2.811 4.720 1.00 0.00 C ATOM 425 C VAL A 34 -2.091 1.517 4.652 1.00 0.00 C ATOM 426 O VAL A 34 -2.825 1.189 5.581 1.00 0.00 O ATOM 427 CB VAL A 34 0.030 2.593 5.449 1.00 0.00 C ATOM 428 CG1 VAL A 34 1.168 2.545 4.434 1.00 0.00 C ATOM 429 CG2 VAL A 34 0.267 3.742 6.425 1.00 0.00 C ATOM 0 H VAL A 34 -2.044 3.749 6.427 1.00 0.00 H new ATOM 0 HA VAL A 34 -1.081 3.139 3.702 1.00 0.00 H new ATOM 0 HB VAL A 34 -0.007 1.652 5.997 1.00 0.00 H new ATOM 0 HG11 VAL A 34 2.113 2.389 4.954 1.00 0.00 H new ATOM 0 HG12 VAL A 34 0.999 1.725 3.736 1.00 0.00 H new ATOM 0 HG13 VAL A 34 1.206 3.486 3.886 1.00 0.00 H new ATOM 0 HG21 VAL A 34 1.212 3.588 6.946 1.00 0.00 H new ATOM 0 HG22 VAL A 34 0.305 4.683 5.877 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -0.546 3.777 7.150 1.00 0.00 H new ATOM 439 N GLY A 35 -1.946 0.779 3.548 1.00 0.00 N ATOM 440 CA GLY A 35 -2.655 -0.472 3.371 1.00 0.00 C ATOM 441 C GLY A 35 -2.085 -1.237 2.185 1.00 0.00 C ATOM 442 O GLY A 35 -1.269 -0.707 1.434 1.00 0.00 O ATOM 0 H GLY A 35 -1.341 1.035 2.768 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -2.574 -1.075 4.275 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -3.716 -0.278 3.212 1.00 0.00 H new ATOM 446 N GLN A 36 -2.518 -2.489 2.017 1.00 0.00 N ATOM 447 CA GLN A 36 -2.050 -3.320 0.926 1.00 0.00 C ATOM 448 C GLN A 36 -3.216 -3.688 0.019 1.00 0.00 C ATOM 449 O GLN A 36 -4.074 -4.482 0.400 1.00 0.00 O ATOM 450 CB GLN A 36 -1.387 -4.573 1.491 1.00 0.00 C ATOM 451 CG GLN A 36 -1.239 -5.614 0.386 1.00 0.00 C ATOM 452 CD GLN A 36 -0.756 -6.942 0.951 1.00 0.00 C ATOM 453 OE1 GLN A 36 -1.492 -7.619 1.666 1.00 0.00 O ATOM 454 NE2 GLN A 36 0.485 -7.313 0.630 1.00 0.00 N ATOM 0 H GLN A 36 -3.195 -2.943 2.630 1.00 0.00 H new ATOM 0 HA GLN A 36 -1.317 -2.772 0.335 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -0.409 -4.325 1.904 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -1.985 -4.977 2.308 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -2.196 -5.755 -0.117 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -0.534 -5.256 -0.364 1.00 0.00 H new ATOM 0 HE21 GLN A 36 1.057 -6.716 0.033 1.00 0.00 H new ATOM 0 HE22 GLN A 36 0.861 -8.193 0.982 1.00 0.00 H new ATOM 463 N CYS A 37 -3.245 -3.110 -1.183 1.00 0.00 N ATOM 464 CA CYS A 37 -4.302 -3.380 -2.137 1.00 0.00 C ATOM 465 C CYS A 37 -3.731 -4.107 -3.346 1.00 0.00 C ATOM 466 O CYS A 37 -2.583 -3.884 -3.722 1.00 0.00 O ATOM 467 CB CYS A 37 -4.956 -2.066 -2.555 1.00 0.00 C ATOM 468 SG CYS A 37 -4.826 -0.753 -1.316 1.00 0.00 S ATOM 0 H CYS A 37 -2.541 -2.450 -1.513 1.00 0.00 H new ATOM 0 HA CYS A 37 -5.058 -4.017 -1.678 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -4.498 -1.723 -3.483 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -6.009 -2.248 -2.768 1.00 0.00 H new ATOM 0 HG CYS A 37 -5.890 -0.008 -1.360 1.00 0.00 H new ATOM 473 N ALA A 38 -4.537 -4.980 -3.955 1.00 0.00 N ATOM 474 CA ALA A 38 -4.109 -5.736 -5.115 1.00 0.00 C ATOM 475 C ALA A 38 -5.049 -5.465 -6.281 1.00 0.00 C ATOM 476 O ALA A 38 -6.254 -5.322 -6.090 1.00 0.00 O ATOM 477 CB ALA A 38 -4.086 -7.223 -4.772 1.00 0.00 C ATOM 0 H ALA A 38 -5.492 -5.175 -3.656 1.00 0.00 H new ATOM 0 HA ALA A 38 -3.104 -5.429 -5.405 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -3.764 -7.793 -5.644 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -3.392 -7.396 -3.949 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -5.085 -7.544 -4.478 1.00 0.00 H new ATOM 483 N TRP A 39 -4.494 -5.395 -7.494 1.00 0.00 N ATOM 484 CA TRP A 39 -5.288 -5.144 -8.680 1.00 0.00 C ATOM 485 C TRP A 39 -6.246 -6.302 -8.918 1.00 0.00 C ATOM 486 O TRP A 39 -5.823 -7.453 -9.007 1.00 0.00 O ATOM 487 CB TRP A 39 -4.363 -4.952 -9.878 1.00 0.00 C ATOM 488 CG TRP A 39 -4.945 -5.358 -11.194 1.00 0.00 C ATOM 489 CD1 TRP A 39 -6.250 -5.270 -11.531 1.00 0.00 C ATOM 490 CD2 TRP A 39 -4.269 -5.918 -12.361 1.00 0.00 C ATOM 491 NE1 TRP A 39 -6.427 -5.733 -12.818 1.00 0.00 N ATOM 492 CE2 TRP A 39 -5.236 -6.147 -13.378 1.00 0.00 C ATOM 493 CE3 TRP A 39 -2.938 -6.257 -12.665 1.00 0.00 C ATOM 494 CZ2 TRP A 39 -4.903 -6.681 -14.625 1.00 0.00 C ATOM 495 CZ3 TRP A 39 -2.593 -6.794 -13.914 1.00 0.00 C ATOM 496 CH2 TRP A 39 -3.570 -7.007 -14.894 1.00 0.00 C ATOM 0 H TRP A 39 -3.496 -5.510 -7.671 1.00 0.00 H new ATOM 0 HA TRP A 39 -5.877 -4.237 -8.542 1.00 0.00 H new ATOM 0 HB2 TRP A 39 -4.076 -3.902 -9.933 1.00 0.00 H new ATOM 0 HB3 TRP A 39 -3.450 -5.523 -9.709 1.00 0.00 H new ATOM 0 HD1 TRP A 39 -7.035 -4.895 -10.891 1.00 0.00 H new ATOM 0 HE1 TRP A 39 -7.327 -5.765 -13.297 1.00 0.00 H new ATOM 0 HE3 TRP A 39 -2.168 -6.101 -11.924 1.00 0.00 H new ATOM 0 HZ2 TRP A 39 -5.666 -6.840 -15.373 1.00 0.00 H new ATOM 0 HZ3 TRP A 39 -1.564 -7.046 -14.122 1.00 0.00 H new ATOM 0 HH2 TRP A 39 -3.295 -7.421 -15.853 1.00 0.00 H new ATOM 507 N VAL A 40 -7.541 -5.995 -9.021 1.00 0.00 N ATOM 508 CA VAL A 40 -8.552 -7.008 -9.248 1.00 0.00 C ATOM 509 C VAL A 40 -9.025 -6.948 -10.693 1.00 0.00 C ATOM 510 O VAL A 40 -9.171 -7.981 -11.343 1.00 0.00 O ATOM 511 CB VAL A 40 -9.717 -6.787 -8.287 1.00 0.00 C ATOM 512 CG1 VAL A 40 -11.021 -6.712 -9.077 1.00 0.00 C ATOM 513 CG2 VAL A 40 -9.787 -7.947 -7.298 1.00 0.00 C ATOM 0 H VAL A 40 -7.907 -5.046 -8.949 1.00 0.00 H new ATOM 0 HA VAL A 40 -8.131 -7.997 -9.065 1.00 0.00 H new ATOM 0 HB VAL A 40 -9.568 -5.854 -7.743 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -11.853 -6.554 -8.391 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -10.971 -5.884 -9.784 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -11.171 -7.645 -9.621 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -10.619 -7.790 -6.611 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -9.936 -8.880 -7.841 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -8.856 -8.001 -6.734 1.00 0.00 H new ATOM 523 N ASP A 41 -9.266 -5.735 -11.195 1.00 0.00 N ATOM 524 CA ASP A 41 -9.721 -5.548 -12.558 1.00 0.00 C ATOM 525 C ASP A 41 -9.205 -4.221 -13.096 1.00 0.00 C ATOM 526 O ASP A 41 -9.273 -3.203 -12.411 1.00 0.00 O ATOM 527 CB ASP A 41 -11.246 -5.590 -12.594 1.00 0.00 C ATOM 528 CG ASP A 41 -11.738 -6.643 -13.577 1.00 0.00 C ATOM 529 OD1 ASP A 41 -11.025 -7.660 -13.723 1.00 0.00 O ATOM 530 OD2 ASP A 41 -12.817 -6.412 -14.163 1.00 0.00 O ATOM 0 H ASP A 41 -9.150 -4.869 -10.668 1.00 0.00 H new ATOM 0 HA ASP A 41 -9.334 -6.348 -13.189 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -11.631 -5.808 -11.598 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -11.634 -4.612 -12.878 1.00 0.00 H new ATOM 535 N THR A 42 -8.688 -4.233 -14.327 1.00 0.00 N ATOM 536 CA THR A 42 -8.166 -3.031 -14.945 1.00 0.00 C ATOM 537 C THR A 42 -9.040 -1.839 -14.581 1.00 0.00 C ATOM 538 O THR A 42 -10.182 -1.744 -15.025 1.00 0.00 O ATOM 539 CB THR A 42 -8.113 -3.220 -16.458 1.00 0.00 C ATOM 540 OG1 THR A 42 -6.935 -3.913 -16.804 1.00 0.00 O ATOM 541 CG2 THR A 42 -8.120 -1.856 -17.142 1.00 0.00 C ATOM 0 H THR A 42 -8.624 -5.068 -14.909 1.00 0.00 H new ATOM 0 HA THR A 42 -7.157 -2.840 -14.579 1.00 0.00 H new ATOM 0 HB THR A 42 -8.981 -3.794 -16.783 1.00 0.00 H new ATOM 0 HG1 THR A 42 -6.901 -4.036 -17.776 1.00 0.00 H new ATOM 0 HG21 THR A 42 -8.082 -1.991 -18.223 1.00 0.00 H new ATOM 0 HG22 THR A 42 -9.031 -1.320 -16.875 1.00 0.00 H new ATOM 0 HG23 THR A 42 -7.252 -1.282 -16.817 1.00 0.00 H new ATOM 549 N GLY A 43 -8.501 -0.927 -13.769 1.00 0.00 N ATOM 550 CA GLY A 43 -9.235 0.251 -13.353 1.00 0.00 C ATOM 551 C GLY A 43 -9.914 0.003 -12.013 1.00 0.00 C ATOM 552 O GLY A 43 -10.710 0.820 -11.556 1.00 0.00 O ATOM 0 H GLY A 43 -7.556 -0.990 -13.390 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -8.557 1.101 -13.273 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -9.981 0.507 -14.105 1.00 0.00 H new ATOM 556 N VAL A 44 -9.597 -1.131 -11.383 1.00 0.00 N ATOM 557 CA VAL A 44 -10.176 -1.482 -10.102 1.00 0.00 C ATOM 558 C VAL A 44 -9.206 -2.357 -9.321 1.00 0.00 C ATOM 559 O VAL A 44 -8.705 -3.350 -9.843 1.00 0.00 O ATOM 560 CB VAL A 44 -11.500 -2.208 -10.324 1.00 0.00 C ATOM 561 CG1 VAL A 44 -12.082 -1.802 -11.675 1.00 0.00 C ATOM 562 CG2 VAL A 44 -11.263 -3.715 -10.305 1.00 0.00 C ATOM 0 H VAL A 44 -8.939 -1.819 -11.749 1.00 0.00 H new ATOM 0 HA VAL A 44 -10.366 -0.577 -9.524 1.00 0.00 H new ATOM 0 HB VAL A 44 -12.199 -1.940 -9.532 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -13.028 -2.320 -11.834 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -12.251 -0.725 -11.690 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -11.383 -2.070 -12.468 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -12.208 -4.234 -10.463 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -10.564 -3.983 -11.097 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -10.847 -4.006 -9.340 1.00 0.00 H new ATOM 572 N LEU A 45 -8.941 -1.985 -8.066 1.00 0.00 N ATOM 573 CA LEU A 45 -8.035 -2.735 -7.221 1.00 0.00 C ATOM 574 C LEU A 45 -8.653 -2.930 -5.844 1.00 0.00 C ATOM 575 O LEU A 45 -9.168 -1.983 -5.253 1.00 0.00 O ATOM 576 CB LEU A 45 -6.706 -1.993 -7.116 1.00 0.00 C ATOM 577 CG LEU A 45 -6.728 -1.081 -5.893 1.00 0.00 C ATOM 578 CD1 LEU A 45 -5.299 -0.822 -5.425 1.00 0.00 C ATOM 579 CD2 LEU A 45 -7.392 0.244 -6.258 1.00 0.00 C ATOM 0 H LEU A 45 -9.348 -1.163 -7.619 1.00 0.00 H new ATOM 0 HA LEU A 45 -7.855 -3.717 -7.658 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -5.885 -2.705 -7.037 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -6.533 -1.406 -8.018 1.00 0.00 H new ATOM 0 HG LEU A 45 -7.291 -1.561 -5.092 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -5.315 -0.170 -4.551 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -4.825 -1.768 -5.164 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -4.735 -0.342 -6.225 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -7.408 0.896 -5.384 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -6.830 0.724 -7.059 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -8.413 0.059 -6.592 1.00 0.00 H new ATOM 591 N ALA A 46 -8.602 -4.162 -5.333 1.00 0.00 N ATOM 592 CA ALA A 46 -9.157 -4.474 -4.032 1.00 0.00 C ATOM 593 C ALA A 46 -8.142 -4.145 -2.946 1.00 0.00 C ATOM 594 O ALA A 46 -6.941 -4.313 -3.145 1.00 0.00 O ATOM 595 CB ALA A 46 -9.540 -5.950 -3.984 1.00 0.00 C ATOM 0 H ALA A 46 -8.178 -4.958 -5.810 1.00 0.00 H new ATOM 0 HA ALA A 46 -10.051 -3.874 -3.860 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -9.958 -6.186 -3.005 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -10.282 -6.159 -4.755 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -8.655 -6.561 -4.157 1.00 0.00 H new ATOM 601 N CYS A 47 -8.628 -3.675 -1.795 1.00 0.00 N ATOM 602 CA CYS A 47 -7.763 -3.324 -0.686 1.00 0.00 C ATOM 603 C CYS A 47 -7.879 -4.376 0.408 1.00 0.00 C ATOM 604 O CYS A 47 -8.910 -5.032 0.534 1.00 0.00 O ATOM 605 CB CYS A 47 -8.150 -1.947 -0.156 1.00 0.00 C ATOM 606 SG CYS A 47 -7.309 -0.576 -0.986 1.00 0.00 S ATOM 0 H CYS A 47 -9.622 -3.531 -1.614 1.00 0.00 H new ATOM 0 HA CYS A 47 -6.727 -3.290 -1.023 1.00 0.00 H new ATOM 0 HB2 CYS A 47 -9.227 -1.817 -0.263 1.00 0.00 H new ATOM 0 HB3 CYS A 47 -7.928 -1.904 0.910 1.00 0.00 H new ATOM 0 HG CYS A 47 -6.104 -0.456 -0.513 1.00 0.00 H new ATOM 611 N ASN A 48 -6.817 -4.535 1.201 1.00 0.00 N ATOM 612 CA ASN A 48 -6.807 -5.504 2.278 1.00 0.00 C ATOM 613 C ASN A 48 -6.795 -4.788 3.621 1.00 0.00 C ATOM 614 O ASN A 48 -5.781 -4.214 4.013 1.00 0.00 O ATOM 615 CB ASN A 48 -5.585 -6.407 2.137 1.00 0.00 C ATOM 616 CG ASN A 48 -5.522 -7.417 3.273 1.00 0.00 C ATOM 617 OD1 ASN A 48 -6.468 -7.544 4.047 1.00 0.00 O ATOM 618 ND2 ASN A 48 -4.403 -8.139 3.372 1.00 0.00 N ATOM 0 H ASN A 48 -5.954 -3.999 1.110 1.00 0.00 H new ATOM 0 HA ASN A 48 -7.706 -6.118 2.226 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -5.623 -6.930 1.182 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -4.679 -5.801 2.133 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -4.307 -8.832 4.114 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -3.644 -7.998 2.705 1.00 0.00 H new ATOM 625 N PRO A 49 -7.928 -4.822 4.327 1.00 0.00 N ATOM 626 CA PRO A 49 -8.101 -4.200 5.622 1.00 0.00 C ATOM 627 C PRO A 49 -7.338 -4.992 6.675 1.00 0.00 C ATOM 628 O PRO A 49 -7.350 -4.636 7.851 1.00 0.00 O ATOM 629 CB PRO A 49 -9.605 -4.251 5.883 1.00 0.00 C ATOM 630 CG PRO A 49 -10.036 -5.510 5.131 1.00 0.00 C ATOM 631 CD PRO A 49 -9.139 -5.487 3.896 1.00 0.00 C ATOM 0 HA PRO A 49 -7.723 -3.178 5.656 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -9.829 -4.319 6.948 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -10.111 -3.362 5.507 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -9.882 -6.410 5.726 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -11.093 -5.481 4.865 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -8.930 -6.496 3.541 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -9.613 -4.951 3.074 1.00 0.00 H new ATOM 639 N ALA A 50 -6.675 -6.069 6.249 1.00 0.00 N ATOM 640 CA ALA A 50 -5.914 -6.906 7.155 1.00 0.00 C ATOM 641 C ALA A 50 -4.494 -6.370 7.281 1.00 0.00 C ATOM 642 O ALA A 50 -3.736 -6.813 8.141 1.00 0.00 O ATOM 643 CB ALA A 50 -5.906 -8.341 6.635 1.00 0.00 C ATOM 0 H ALA A 50 -6.655 -6.376 5.277 1.00 0.00 H new ATOM 0 HA ALA A 50 -6.375 -6.894 8.142 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -5.334 -8.971 7.316 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -6.929 -8.711 6.572 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -5.449 -8.367 5.646 1.00 0.00 H new ATOM 649 N ASP A 51 -4.136 -5.415 6.420 1.00 0.00 N ATOM 650 CA ASP A 51 -2.812 -4.826 6.439 1.00 0.00 C ATOM 651 C ASP A 51 -2.922 -3.309 6.400 1.00 0.00 C ATOM 652 O ASP A 51 -2.019 -2.632 5.915 1.00 0.00 O ATOM 653 CB ASP A 51 -2.010 -5.341 5.247 1.00 0.00 C ATOM 654 CG ASP A 51 -2.271 -6.823 5.017 1.00 0.00 C ATOM 655 OD1 ASP A 51 -3.048 -7.394 5.813 1.00 0.00 O ATOM 656 OD2 ASP A 51 -1.688 -7.358 4.049 1.00 0.00 O ATOM 0 H ASP A 51 -4.753 -5.037 5.701 1.00 0.00 H new ATOM 0 HA ASP A 51 -2.297 -5.109 7.357 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -2.277 -4.777 4.353 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -0.946 -5.178 5.421 1.00 0.00 H new ATOM 661 N PHE A 52 -4.034 -2.775 6.912 1.00 0.00 N ATOM 662 CA PHE A 52 -4.254 -1.343 6.931 1.00 0.00 C ATOM 663 C PHE A 52 -3.502 -0.721 8.100 1.00 0.00 C ATOM 664 O PHE A 52 -3.925 -0.841 9.247 1.00 0.00 O ATOM 665 CB PHE A 52 -5.749 -1.060 7.038 1.00 0.00 C ATOM 666 CG PHE A 52 -6.344 -0.480 5.777 1.00 0.00 C ATOM 667 CD1 PHE A 52 -5.549 0.285 4.915 1.00 0.00 C ATOM 668 CD2 PHE A 52 -7.691 -0.709 5.468 1.00 0.00 C ATOM 669 CE1 PHE A 52 -6.101 0.821 3.745 1.00 0.00 C ATOM 670 CE2 PHE A 52 -8.242 -0.173 4.299 1.00 0.00 C ATOM 671 CZ PHE A 52 -7.447 0.592 3.437 1.00 0.00 C ATOM 0 H PHE A 52 -4.793 -3.322 7.318 1.00 0.00 H new ATOM 0 HA PHE A 52 -3.879 -0.901 6.008 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -6.269 -1.986 7.283 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -5.922 -0.369 7.863 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -4.510 0.462 5.152 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -8.304 -1.300 6.132 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -5.488 1.411 3.080 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -9.281 -0.349 4.062 1.00 0.00 H new ATOM 0 HZ PHE A 52 -7.872 1.005 2.534 1.00 0.00 H new ATOM 681 N SER A 53 -2.384 -0.054 7.805 1.00 0.00 N ATOM 682 CA SER A 53 -1.582 0.583 8.831 1.00 0.00 C ATOM 683 C SER A 53 -1.882 2.074 8.869 1.00 0.00 C ATOM 684 O SER A 53 -2.638 2.579 8.042 1.00 0.00 O ATOM 685 CB SER A 53 -0.103 0.335 8.546 1.00 0.00 C ATOM 686 OG SER A 53 0.046 -0.897 7.877 1.00 0.00 O ATOM 0 H SER A 53 -2.020 0.055 6.859 1.00 0.00 H new ATOM 0 HA SER A 53 -1.827 0.159 9.805 1.00 0.00 H new ATOM 0 HB2 SER A 53 0.302 1.143 7.937 1.00 0.00 H new ATOM 0 HB3 SER A 53 0.462 0.325 9.478 1.00 0.00 H new ATOM 0 HG SER A 53 0.916 -1.289 8.102 1.00 0.00 H new ATOM 692 N SER A 54 -1.286 2.780 9.833 1.00 0.00 N ATOM 693 CA SER A 54 -1.490 4.208 9.971 1.00 0.00 C ATOM 694 C SER A 54 -0.199 4.873 10.425 1.00 0.00 C ATOM 695 O SER A 54 0.635 4.241 11.070 1.00 0.00 O ATOM 696 CB SER A 54 -2.612 4.465 10.974 1.00 0.00 C ATOM 697 OG SER A 54 -2.086 4.448 12.282 1.00 0.00 O ATOM 0 H SER A 54 -0.658 2.376 10.528 1.00 0.00 H new ATOM 0 HA SER A 54 -1.775 4.633 9.009 1.00 0.00 H new ATOM 0 HB2 SER A 54 -3.082 5.428 10.772 1.00 0.00 H new ATOM 0 HB3 SER A 54 -3.387 3.705 10.872 1.00 0.00 H new ATOM 0 HG SER A 54 -2.806 4.615 12.926 1.00 0.00 H new ATOM 703 N VAL A 55 -0.035 6.154 10.086 1.00 0.00 N ATOM 704 CA VAL A 55 1.151 6.898 10.460 1.00 0.00 C ATOM 705 C VAL A 55 0.930 8.382 10.203 1.00 0.00 C ATOM 706 O VAL A 55 0.152 8.753 9.326 1.00 0.00 O ATOM 707 CB VAL A 55 2.346 6.384 9.662 1.00 0.00 C ATOM 708 CG1 VAL A 55 2.079 6.566 8.171 1.00 0.00 C ATOM 709 CG2 VAL A 55 3.595 7.167 10.055 1.00 0.00 C ATOM 0 H VAL A 55 -0.717 6.692 9.551 1.00 0.00 H new ATOM 0 HA VAL A 55 1.353 6.759 11.522 1.00 0.00 H new ATOM 0 HB VAL A 55 2.498 5.326 9.877 1.00 0.00 H new ATOM 0 HG11 VAL A 55 2.933 6.199 7.601 1.00 0.00 H new ATOM 0 HG12 VAL A 55 1.187 6.006 7.890 1.00 0.00 H new ATOM 0 HG13 VAL A 55 1.926 7.623 7.955 1.00 0.00 H new ATOM 0 HG21 VAL A 55 4.449 6.800 9.485 1.00 0.00 H new ATOM 0 HG22 VAL A 55 3.444 8.225 9.841 1.00 0.00 H new ATOM 0 HG23 VAL A 55 3.786 7.036 11.120 1.00 0.00 H new ATOM 719 N THR A 56 1.616 9.232 10.970 1.00 0.00 N ATOM 720 CA THR A 56 1.489 10.668 10.817 1.00 0.00 C ATOM 721 C THR A 56 2.865 11.296 10.653 1.00 0.00 C ATOM 722 O THR A 56 3.794 10.964 11.386 1.00 0.00 O ATOM 723 CB THR A 56 0.773 11.246 12.034 1.00 0.00 C ATOM 724 OG1 THR A 56 -0.453 10.575 12.221 1.00 0.00 O ATOM 725 CG2 THR A 56 0.510 12.733 11.812 1.00 0.00 C ATOM 0 H THR A 56 2.264 8.942 11.702 1.00 0.00 H new ATOM 0 HA THR A 56 0.903 10.891 9.925 1.00 0.00 H new ATOM 0 HB THR A 56 1.397 11.116 12.918 1.00 0.00 H new ATOM 0 HG1 THR A 56 -0.912 10.945 13.004 1.00 0.00 H new ATOM 0 HG21 THR A 56 -0.002 13.146 12.681 1.00 0.00 H new ATOM 0 HG22 THR A 56 1.457 13.252 11.668 1.00 0.00 H new ATOM 0 HG23 THR A 56 -0.114 12.864 10.928 1.00 0.00 H new ATOM 733 N ALA A 57 2.994 12.207 9.686 1.00 0.00 N ATOM 734 CA ALA A 57 4.253 12.876 9.429 1.00 0.00 C ATOM 735 C ALA A 57 4.555 13.857 10.553 1.00 0.00 C ATOM 736 O ALA A 57 3.652 14.515 11.064 1.00 0.00 O ATOM 737 CB ALA A 57 4.180 13.599 8.087 1.00 0.00 C ATOM 0 H ALA A 57 2.233 12.493 9.070 1.00 0.00 H new ATOM 0 HA ALA A 57 5.057 12.141 9.388 1.00 0.00 H new ATOM 0 HB1 ALA A 57 5.127 14.103 7.893 1.00 0.00 H new ATOM 0 HB2 ALA A 57 3.984 12.877 7.295 1.00 0.00 H new ATOM 0 HB3 ALA A 57 3.376 14.335 8.113 1.00 0.00 H new ATOM 743 N ASP A 58 5.830 13.952 10.939 1.00 0.00 N ATOM 744 CA ASP A 58 6.242 14.848 12.000 1.00 0.00 C ATOM 745 C ASP A 58 6.401 16.259 11.450 1.00 0.00 C ATOM 746 O ASP A 58 6.068 16.517 10.295 1.00 0.00 O ATOM 747 CB ASP A 58 7.554 14.352 12.602 1.00 0.00 C ATOM 748 CG ASP A 58 8.661 14.338 11.558 1.00 0.00 C ATOM 749 OD1 ASP A 58 8.470 15.008 10.519 1.00 0.00 O ATOM 750 OD2 ASP A 58 9.677 13.658 11.817 1.00 0.00 O ATOM 0 H ASP A 58 6.591 13.413 10.525 1.00 0.00 H new ATOM 0 HA ASP A 58 5.482 14.867 12.782 1.00 0.00 H new ATOM 0 HB2 ASP A 58 7.842 14.994 13.434 1.00 0.00 H new ATOM 0 HB3 ASP A 58 7.417 13.349 13.006 1.00 0.00 H new ATOM 755 N ALA A 59 6.910 17.172 12.280 1.00 0.00 N ATOM 756 CA ALA A 59 7.108 18.549 11.874 1.00 0.00 C ATOM 757 C ALA A 59 8.099 18.608 10.720 1.00 0.00 C ATOM 758 O ALA A 59 8.055 19.531 9.909 1.00 0.00 O ATOM 759 CB ALA A 59 7.612 19.361 13.063 1.00 0.00 C ATOM 0 H ALA A 59 7.191 16.973 13.240 1.00 0.00 H new ATOM 0 HA ALA A 59 6.162 18.973 11.537 1.00 0.00 H new ATOM 0 HB1 ALA A 59 7.761 20.397 12.759 1.00 0.00 H new ATOM 0 HB2 ALA A 59 6.878 19.321 13.868 1.00 0.00 H new ATOM 0 HB3 ALA A 59 8.557 18.946 13.413 1.00 0.00 H new ATOM 765 N ASN A 60 8.994 17.621 10.648 1.00 0.00 N ATOM 766 CA ASN A 60 9.988 17.568 9.595 1.00 0.00 C ATOM 767 C ASN A 60 9.341 17.123 8.291 1.00 0.00 C ATOM 768 O ASN A 60 9.971 17.163 7.237 1.00 0.00 O ATOM 769 CB ASN A 60 11.104 16.608 9.999 1.00 0.00 C ATOM 770 CG ASN A 60 12.423 17.349 10.167 1.00 0.00 C ATOM 771 OD1 ASN A 60 12.579 18.141 11.094 1.00 0.00 O ATOM 772 ND2 ASN A 60 13.375 17.088 9.268 1.00 0.00 N ATOM 0 H ASN A 60 9.044 16.849 11.313 1.00 0.00 H new ATOM 0 HA ASN A 60 10.414 18.560 9.444 1.00 0.00 H new ATOM 0 HB2 ASN A 60 10.841 16.110 10.932 1.00 0.00 H new ATOM 0 HB3 ASN A 60 11.213 15.831 9.242 1.00 0.00 H new ATOM 0 HD21 ASN A 60 14.280 17.554 9.333 1.00 0.00 H new ATOM 0 HD22 ASN A 60 13.198 16.422 8.516 1.00 0.00 H new ATOM 779 N GLY A 61 8.077 16.698 8.365 1.00 0.00 N ATOM 780 CA GLY A 61 7.356 16.250 7.190 1.00 0.00 C ATOM 781 C GLY A 61 7.805 14.850 6.798 1.00 0.00 C ATOM 782 O GLY A 61 7.811 14.504 5.618 1.00 0.00 O ATOM 0 H GLY A 61 7.539 16.658 9.231 1.00 0.00 H new ATOM 0 HA2 GLY A 61 6.284 16.253 7.389 1.00 0.00 H new ATOM 0 HA3 GLY A 61 7.529 16.940 6.364 1.00 0.00 H new ATOM 786 N SER A 62 8.182 14.042 7.792 1.00 0.00 N ATOM 787 CA SER A 62 8.629 12.686 7.546 1.00 0.00 C ATOM 788 C SER A 62 7.850 11.718 8.425 1.00 0.00 C ATOM 789 O SER A 62 7.590 12.005 9.591 1.00 0.00 O ATOM 790 CB SER A 62 10.126 12.586 7.826 1.00 0.00 C ATOM 791 OG SER A 62 10.377 12.937 9.169 1.00 0.00 O ATOM 0 H SER A 62 8.183 14.313 8.775 1.00 0.00 H new ATOM 0 HA SER A 62 8.449 12.423 6.503 1.00 0.00 H new ATOM 0 HB2 SER A 62 10.476 11.572 7.632 1.00 0.00 H new ATOM 0 HB3 SER A 62 10.677 13.247 7.157 1.00 0.00 H new ATOM 0 HG SER A 62 11.338 12.872 9.350 1.00 0.00 H new ATOM 797 N ALA A 63 7.478 10.566 7.861 1.00 0.00 N ATOM 798 CA ALA A 63 6.732 9.563 8.594 1.00 0.00 C ATOM 799 C ALA A 63 7.486 8.241 8.570 1.00 0.00 C ATOM 800 O ALA A 63 8.415 8.068 7.785 1.00 0.00 O ATOM 801 CB ALA A 63 5.347 9.406 7.973 1.00 0.00 C ATOM 0 H ALA A 63 7.686 10.313 6.895 1.00 0.00 H new ATOM 0 HA ALA A 63 6.617 9.875 9.632 1.00 0.00 H new ATOM 0 HB1 ALA A 63 4.785 8.652 8.524 1.00 0.00 H new ATOM 0 HB2 ALA A 63 4.818 10.358 8.018 1.00 0.00 H new ATOM 0 HB3 ALA A 63 5.448 9.096 6.933 1.00 0.00 H new ATOM 807 N SER A 64 7.083 7.307 9.435 1.00 0.00 N ATOM 808 CA SER A 64 7.722 6.008 9.508 1.00 0.00 C ATOM 809 C SER A 64 6.709 4.959 9.946 1.00 0.00 C ATOM 810 O SER A 64 6.100 5.085 11.005 1.00 0.00 O ATOM 811 CB SER A 64 8.892 6.071 10.485 1.00 0.00 C ATOM 812 OG SER A 64 9.376 7.394 10.553 1.00 0.00 O ATOM 0 H SER A 64 6.314 7.435 10.093 1.00 0.00 H new ATOM 0 HA SER A 64 8.102 5.730 8.525 1.00 0.00 H new ATOM 0 HB2 SER A 64 8.573 5.738 11.473 1.00 0.00 H new ATOM 0 HB3 SER A 64 9.686 5.398 10.162 1.00 0.00 H new ATOM 0 HG SER A 64 10.127 7.436 11.182 1.00 0.00 H new ATOM 818 N THR A 65 6.532 3.919 9.127 1.00 0.00 N ATOM 819 CA THR A 65 5.597 2.857 9.438 1.00 0.00 C ATOM 820 C THR A 65 5.962 1.601 8.659 1.00 0.00 C ATOM 821 O THR A 65 6.546 1.683 7.581 1.00 0.00 O ATOM 822 CB THR A 65 4.181 3.311 9.097 1.00 0.00 C ATOM 823 OG1 THR A 65 3.399 3.331 10.270 1.00 0.00 O ATOM 824 CG2 THR A 65 3.564 2.343 8.091 1.00 0.00 C ATOM 0 H THR A 65 7.029 3.798 8.244 1.00 0.00 H new ATOM 0 HA THR A 65 5.645 2.627 10.502 1.00 0.00 H new ATOM 0 HB THR A 65 4.214 4.311 8.665 1.00 0.00 H new ATOM 0 HG1 THR A 65 3.862 3.846 10.963 1.00 0.00 H new ATOM 0 HG21 THR A 65 2.552 2.667 7.847 1.00 0.00 H new ATOM 0 HG22 THR A 65 4.168 2.327 7.184 1.00 0.00 H new ATOM 0 HG23 THR A 65 3.530 1.343 8.522 1.00 0.00 H new ATOM 832 N SER A 66 5.615 0.435 9.210 1.00 0.00 N ATOM 833 CA SER A 66 5.906 -0.830 8.565 1.00 0.00 C ATOM 834 C SER A 66 4.608 -1.511 8.154 1.00 0.00 C ATOM 835 O SER A 66 3.705 -1.676 8.971 1.00 0.00 O ATOM 836 CB SER A 66 6.702 -1.715 9.520 1.00 0.00 C ATOM 837 OG SER A 66 7.112 -0.954 10.634 1.00 0.00 O ATOM 0 H SER A 66 5.131 0.350 10.104 1.00 0.00 H new ATOM 0 HA SER A 66 6.501 -0.657 7.668 1.00 0.00 H new ATOM 0 HB2 SER A 66 6.092 -2.557 9.846 1.00 0.00 H new ATOM 0 HB3 SER A 66 7.571 -2.130 9.009 1.00 0.00 H new ATOM 0 HG SER A 66 7.622 -1.522 11.249 1.00 0.00 H new ATOM 843 N LEU A 67 4.518 -1.907 6.882 1.00 0.00 N ATOM 844 CA LEU A 67 3.334 -2.568 6.369 1.00 0.00 C ATOM 845 C LEU A 67 3.546 -4.076 6.365 1.00 0.00 C ATOM 846 O LEU A 67 4.681 -4.546 6.333 1.00 0.00 O ATOM 847 CB LEU A 67 3.038 -2.060 4.961 1.00 0.00 C ATOM 848 CG LEU A 67 1.528 -1.997 4.750 1.00 0.00 C ATOM 849 CD1 LEU A 67 1.169 -0.703 4.026 1.00 0.00 C ATOM 850 CD2 LEU A 67 1.082 -3.191 3.912 1.00 0.00 C ATOM 0 H LEU A 67 5.258 -1.777 6.193 1.00 0.00 H new ATOM 0 HA LEU A 67 2.481 -2.342 7.009 1.00 0.00 H new ATOM 0 HB2 LEU A 67 3.477 -1.073 4.819 1.00 0.00 H new ATOM 0 HB3 LEU A 67 3.492 -2.720 4.222 1.00 0.00 H new ATOM 0 HG LEU A 67 1.024 -2.023 5.716 1.00 0.00 H new ATOM 0 HD11 LEU A 67 0.090 -0.658 3.875 1.00 0.00 H new ATOM 0 HD12 LEU A 67 1.488 0.150 4.625 1.00 0.00 H new ATOM 0 HD13 LEU A 67 1.672 -0.675 3.059 1.00 0.00 H new ATOM 0 HD21 LEU A 67 0.003 -3.147 3.761 1.00 0.00 H new ATOM 0 HD22 LEU A 67 1.585 -3.165 2.945 1.00 0.00 H new ATOM 0 HD23 LEU A 67 1.338 -4.115 4.430 1.00 0.00 H new ATOM 862 N THR A 68 2.448 -4.835 6.396 1.00 0.00 N ATOM 863 CA THR A 68 2.522 -6.282 6.394 1.00 0.00 C ATOM 864 C THR A 68 2.196 -6.816 5.007 1.00 0.00 C ATOM 865 O THR A 68 1.111 -6.571 4.483 1.00 0.00 O ATOM 866 CB THR A 68 1.552 -6.841 7.430 1.00 0.00 C ATOM 867 OG1 THR A 68 1.545 -8.249 7.355 1.00 0.00 O ATOM 868 CG2 THR A 68 0.149 -6.310 7.153 1.00 0.00 C ATOM 0 H THR A 68 1.499 -4.462 6.423 1.00 0.00 H new ATOM 0 HA THR A 68 3.533 -6.597 6.653 1.00 0.00 H new ATOM 0 HB THR A 68 1.867 -6.531 8.427 1.00 0.00 H new ATOM 0 HG1 THR A 68 1.669 -8.625 8.251 1.00 0.00 H new ATOM 0 HG21 THR A 68 -0.544 -6.710 7.893 1.00 0.00 H new ATOM 0 HG22 THR A 68 0.154 -5.222 7.211 1.00 0.00 H new ATOM 0 HG23 THR A 68 -0.167 -6.619 6.157 1.00 0.00 H new ATOM 876 N VAL A 69 3.140 -7.549 4.412 1.00 0.00 N ATOM 877 CA VAL A 69 2.950 -8.115 3.091 1.00 0.00 C ATOM 878 C VAL A 69 2.182 -9.424 3.197 1.00 0.00 C ATOM 879 O VAL A 69 2.563 -10.309 3.960 1.00 0.00 O ATOM 880 CB VAL A 69 4.309 -8.336 2.434 1.00 0.00 C ATOM 881 CG1 VAL A 69 4.287 -9.643 1.647 1.00 0.00 C ATOM 882 CG2 VAL A 69 4.611 -7.178 1.487 1.00 0.00 C ATOM 0 H VAL A 69 4.045 -7.760 4.833 1.00 0.00 H new ATOM 0 HA VAL A 69 2.371 -7.427 2.475 1.00 0.00 H new ATOM 0 HB VAL A 69 5.080 -8.387 3.203 1.00 0.00 H new ATOM 0 HG11 VAL A 69 5.258 -9.801 1.177 1.00 0.00 H new ATOM 0 HG12 VAL A 69 4.071 -10.471 2.322 1.00 0.00 H new ATOM 0 HG13 VAL A 69 3.516 -9.592 0.878 1.00 0.00 H new ATOM 0 HG21 VAL A 69 5.582 -7.336 1.017 1.00 0.00 H new ATOM 0 HG22 VAL A 69 3.840 -7.126 0.718 1.00 0.00 H new ATOM 0 HG23 VAL A 69 4.627 -6.244 2.048 1.00 0.00 H new ATOM 892 N ARG A 70 1.098 -9.546 2.428 1.00 0.00 N ATOM 893 CA ARG A 70 0.282 -10.744 2.440 1.00 0.00 C ATOM 894 C ARG A 70 0.312 -11.401 1.067 1.00 0.00 C ATOM 895 O ARG A 70 0.564 -10.737 0.064 1.00 0.00 O ATOM 896 CB ARG A 70 -1.147 -10.381 2.834 1.00 0.00 C ATOM 897 CG ARG A 70 -1.297 -10.480 4.349 1.00 0.00 C ATOM 898 CD ARG A 70 -0.092 -9.829 5.024 1.00 0.00 C ATOM 899 NE ARG A 70 -0.370 -9.542 6.431 1.00 0.00 N ATOM 900 CZ ARG A 70 -0.183 -10.442 7.406 1.00 0.00 C ATOM 901 NH1 ARG A 70 0.277 -11.665 7.110 1.00 0.00 N ATOM 902 NH2 ARG A 70 -0.457 -10.119 8.678 1.00 0.00 N ATOM 0 H ARG A 70 0.771 -8.821 1.789 1.00 0.00 H new ATOM 0 HA ARG A 70 0.677 -11.451 3.169 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -1.382 -9.371 2.500 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -1.852 -11.052 2.343 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -2.216 -9.987 4.667 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -1.375 -11.525 4.650 1.00 0.00 H new ATOM 0 HD2 ARG A 70 0.772 -10.489 4.948 1.00 0.00 H new ATOM 0 HD3 ARG A 70 0.165 -8.906 4.505 1.00 0.00 H new ATOM 0 HE ARG A 70 -0.721 -8.617 6.681 1.00 0.00 H new ATOM 0 HH11 ARG A 70 0.485 -11.911 6.142 1.00 0.00 H new ATOM 0 HH12 ARG A 70 0.419 -12.350 7.852 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -0.808 -9.188 8.904 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -0.315 -10.804 9.420 1.00 0.00 H new ATOM 916 N ARG A 71 0.054 -12.710 1.025 1.00 0.00 N ATOM 917 CA ARG A 71 0.053 -13.450 -0.221 1.00 0.00 C ATOM 918 C ARG A 71 -1.362 -13.522 -0.777 1.00 0.00 C ATOM 919 O ARG A 71 -1.553 -13.799 -1.959 1.00 0.00 O ATOM 920 CB ARG A 71 0.612 -14.849 0.019 1.00 0.00 C ATOM 921 CG ARG A 71 -0.304 -15.605 0.978 1.00 0.00 C ATOM 922 CD ARG A 71 -0.482 -17.039 0.487 1.00 0.00 C ATOM 923 NE ARG A 71 -0.395 -17.988 1.597 1.00 0.00 N ATOM 924 CZ ARG A 71 -0.406 -19.316 1.419 1.00 0.00 C ATOM 925 NH1 ARG A 71 -0.499 -19.826 0.184 1.00 0.00 N ATOM 926 NH2 ARG A 71 -0.325 -20.135 2.477 1.00 0.00 N ATOM 0 H ARG A 71 -0.157 -13.274 1.848 1.00 0.00 H new ATOM 0 HA ARG A 71 0.683 -12.942 -0.951 1.00 0.00 H new ATOM 0 HB2 ARG A 71 0.692 -15.387 -0.925 1.00 0.00 H new ATOM 0 HB3 ARG A 71 1.618 -14.784 0.435 1.00 0.00 H new ATOM 0 HG2 ARG A 71 0.121 -15.603 1.982 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -1.272 -15.108 1.041 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -1.448 -17.140 -0.008 1.00 0.00 H new ATOM 0 HD3 ARG A 71 0.282 -17.271 -0.255 1.00 0.00 H new ATOM 0 HE ARG A 71 -0.323 -17.623 2.547 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -0.561 -19.203 -0.622 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -0.507 -20.837 0.049 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -0.255 -19.747 3.418 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -0.333 -21.146 2.341 1.00 0.00 H new ATOM 940 N SER A 72 -2.355 -13.272 0.080 1.00 0.00 N ATOM 941 CA SER A 72 -3.744 -13.309 -0.331 1.00 0.00 C ATOM 942 C SER A 72 -4.610 -12.618 0.713 1.00 0.00 C ATOM 943 O SER A 72 -4.333 -12.703 1.908 1.00 0.00 O ATOM 944 CB SER A 72 -4.179 -14.760 -0.519 1.00 0.00 C ATOM 945 OG SER A 72 -3.809 -15.197 -1.808 1.00 0.00 O ATOM 0 H SER A 72 -2.213 -13.042 1.064 1.00 0.00 H new ATOM 0 HA SER A 72 -3.861 -12.782 -1.278 1.00 0.00 H new ATOM 0 HB2 SER A 72 -3.714 -15.391 0.238 1.00 0.00 H new ATOM 0 HB3 SER A 72 -5.258 -14.848 -0.389 1.00 0.00 H new ATOM 0 HG SER A 72 -4.614 -15.355 -2.343 1.00 0.00 H new ATOM 951 N PHE A 73 -5.662 -11.933 0.260 1.00 0.00 N ATOM 952 CA PHE A 73 -6.561 -11.234 1.156 1.00 0.00 C ATOM 953 C PHE A 73 -7.761 -10.711 0.380 1.00 0.00 C ATOM 954 O PHE A 73 -7.667 -10.464 -0.820 1.00 0.00 O ATOM 955 CB PHE A 73 -5.813 -10.088 1.833 1.00 0.00 C ATOM 956 CG PHE A 73 -4.971 -9.273 0.881 1.00 0.00 C ATOM 957 CD1 PHE A 73 -5.584 -8.519 -0.127 1.00 0.00 C ATOM 958 CD2 PHE A 73 -3.577 -9.268 1.008 1.00 0.00 C ATOM 959 CE1 PHE A 73 -4.804 -7.761 -1.008 1.00 0.00 C ATOM 960 CE2 PHE A 73 -2.796 -8.510 0.127 1.00 0.00 C ATOM 961 CZ PHE A 73 -3.409 -7.757 -0.881 1.00 0.00 C ATOM 0 H PHE A 73 -5.906 -11.852 -0.727 1.00 0.00 H new ATOM 0 HA PHE A 73 -6.921 -11.919 1.923 1.00 0.00 H new ATOM 0 HB2 PHE A 73 -6.534 -9.432 2.321 1.00 0.00 H new ATOM 0 HB3 PHE A 73 -5.172 -10.495 2.615 1.00 0.00 H new ATOM 0 HD1 PHE A 73 -6.660 -8.522 -0.225 1.00 0.00 H new ATOM 0 HD2 PHE A 73 -3.104 -9.849 1.786 1.00 0.00 H new ATOM 0 HE1 PHE A 73 -5.277 -7.180 -1.785 1.00 0.00 H new ATOM 0 HE2 PHE A 73 -1.720 -8.506 0.225 1.00 0.00 H new ATOM 0 HZ PHE A 73 -2.807 -7.173 -1.561 1.00 0.00 H new ATOM 971 N GLU A 74 -8.893 -10.542 1.068 1.00 0.00 N ATOM 972 CA GLU A 74 -10.101 -10.050 0.439 1.00 0.00 C ATOM 973 C GLU A 74 -9.841 -8.688 -0.190 1.00 0.00 C ATOM 974 O GLU A 74 -9.625 -7.706 0.517 1.00 0.00 O ATOM 975 CB GLU A 74 -11.215 -9.962 1.478 1.00 0.00 C ATOM 976 CG GLU A 74 -10.738 -9.132 2.666 1.00 0.00 C ATOM 977 CD GLU A 74 -11.040 -9.839 3.980 1.00 0.00 C ATOM 978 OE1 GLU A 74 -12.244 -9.973 4.288 1.00 0.00 O ATOM 979 OE2 GLU A 74 -10.062 -10.232 4.651 1.00 0.00 O ATOM 0 H GLU A 74 -8.989 -10.742 2.064 1.00 0.00 H new ATOM 0 HA GLU A 74 -10.409 -10.737 -0.349 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -12.103 -9.509 1.037 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -11.498 -10.961 1.809 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -9.666 -8.953 2.583 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -11.226 -8.157 2.653 1.00 0.00 H new ATOM 986 N GLY A 75 -9.864 -8.629 -1.523 1.00 0.00 N ATOM 987 CA GLY A 75 -9.632 -7.388 -2.235 1.00 0.00 C ATOM 988 C GLY A 75 -10.800 -6.435 -2.028 1.00 0.00 C ATOM 989 O GLY A 75 -11.846 -6.584 -2.657 1.00 0.00 O ATOM 0 H GLY A 75 -10.042 -9.433 -2.125 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -8.710 -6.926 -1.883 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -9.502 -7.590 -3.298 1.00 0.00 H new ATOM 993 N PHE A 76 -10.621 -5.452 -1.143 1.00 0.00 N ATOM 994 CA PHE A 76 -11.659 -4.482 -0.859 1.00 0.00 C ATOM 995 C PHE A 76 -11.627 -3.372 -1.900 1.00 0.00 C ATOM 996 O PHE A 76 -10.810 -2.458 -1.811 1.00 0.00 O ATOM 997 CB PHE A 76 -11.455 -3.915 0.543 1.00 0.00 C ATOM 998 CG PHE A 76 -12.440 -4.446 1.557 1.00 0.00 C ATOM 999 CD1 PHE A 76 -12.406 -5.796 1.926 1.00 0.00 C ATOM 1000 CD2 PHE A 76 -13.385 -3.587 2.131 1.00 0.00 C ATOM 1001 CE1 PHE A 76 -13.318 -6.287 2.868 1.00 0.00 C ATOM 1002 CE2 PHE A 76 -14.296 -4.079 3.073 1.00 0.00 C ATOM 1003 CZ PHE A 76 -14.263 -5.429 3.441 1.00 0.00 C ATOM 0 H PHE A 76 -9.760 -5.314 -0.613 1.00 0.00 H new ATOM 0 HA PHE A 76 -12.635 -4.965 -0.902 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -10.443 -4.146 0.876 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -11.537 -2.829 0.503 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -11.676 -6.459 1.484 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -13.411 -2.545 1.847 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -13.292 -7.329 3.152 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -15.025 -3.417 3.516 1.00 0.00 H new ATOM 0 HZ PHE A 76 -14.967 -5.808 4.167 1.00 0.00 H new ATOM 1013 N LEU A 77 -12.520 -3.453 -2.889 1.00 0.00 N ATOM 1014 CA LEU A 77 -12.591 -2.457 -3.940 1.00 0.00 C ATOM 1015 C LEU A 77 -12.769 -1.074 -3.331 1.00 0.00 C ATOM 1016 O LEU A 77 -13.495 -0.914 -2.352 1.00 0.00 O ATOM 1017 CB LEU A 77 -13.748 -2.788 -4.877 1.00 0.00 C ATOM 1018 CG LEU A 77 -14.335 -1.496 -5.437 1.00 0.00 C ATOM 1019 CD1 LEU A 77 -13.321 -0.837 -6.368 1.00 0.00 C ATOM 1020 CD2 LEU A 77 -15.610 -1.811 -6.214 1.00 0.00 C ATOM 0 H LEU A 77 -13.203 -4.205 -2.977 1.00 0.00 H new ATOM 0 HA LEU A 77 -11.664 -2.462 -4.513 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -13.400 -3.425 -5.691 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -14.516 -3.346 -4.341 1.00 0.00 H new ATOM 0 HG LEU A 77 -14.568 -0.818 -4.616 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -13.741 0.086 -6.768 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -12.411 -0.611 -5.813 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -13.087 -1.515 -7.189 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -16.030 -0.888 -6.614 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -15.378 -2.490 -7.035 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -16.335 -2.281 -5.549 1.00 0.00 H new ATOM 1032 N PHE A 78 -12.105 -0.073 -3.913 1.00 0.00 N ATOM 1033 CA PHE A 78 -12.195 1.288 -3.424 1.00 0.00 C ATOM 1034 C PHE A 78 -13.651 1.649 -3.167 1.00 0.00 C ATOM 1035 O PHE A 78 -13.970 2.266 -2.152 1.00 0.00 O ATOM 1036 CB PHE A 78 -11.575 2.237 -4.446 1.00 0.00 C ATOM 1037 CG PHE A 78 -10.171 2.666 -4.095 1.00 0.00 C ATOM 1038 CD1 PHE A 78 -9.297 1.765 -3.476 1.00 0.00 C ATOM 1039 CD2 PHE A 78 -9.742 3.966 -4.391 1.00 0.00 C ATOM 1040 CE1 PHE A 78 -7.994 2.163 -3.152 1.00 0.00 C ATOM 1041 CE2 PHE A 78 -8.439 4.364 -4.068 1.00 0.00 C ATOM 1042 CZ PHE A 78 -7.565 3.463 -3.448 1.00 0.00 C ATOM 0 H PHE A 78 -11.499 -0.189 -4.726 1.00 0.00 H new ATOM 0 HA PHE A 78 -11.648 1.378 -2.485 1.00 0.00 H new ATOM 0 HB2 PHE A 78 -11.565 1.751 -5.422 1.00 0.00 H new ATOM 0 HB3 PHE A 78 -12.205 3.122 -4.537 1.00 0.00 H new ATOM 0 HD1 PHE A 78 -9.628 0.762 -3.248 1.00 0.00 H new ATOM 0 HD2 PHE A 78 -10.416 4.662 -4.868 1.00 0.00 H new ATOM 0 HE1 PHE A 78 -7.320 1.468 -2.674 1.00 0.00 H new ATOM 0 HE2 PHE A 78 -8.108 5.366 -4.297 1.00 0.00 H new ATOM 0 HZ PHE A 78 -6.560 3.770 -3.198 1.00 0.00 H new ATOM 1052 N ASP A 79 -14.536 1.263 -4.089 1.00 0.00 N ATOM 1053 CA ASP A 79 -15.951 1.548 -3.958 1.00 0.00 C ATOM 1054 C ASP A 79 -16.475 0.965 -2.654 1.00 0.00 C ATOM 1055 O ASP A 79 -17.549 1.341 -2.191 1.00 0.00 O ATOM 1056 CB ASP A 79 -16.699 0.963 -5.152 1.00 0.00 C ATOM 1057 CG ASP A 79 -17.460 2.047 -5.901 1.00 0.00 C ATOM 1058 OD1 ASP A 79 -17.850 3.031 -5.235 1.00 0.00 O ATOM 1059 OD2 ASP A 79 -17.639 1.873 -7.126 1.00 0.00 O ATOM 0 H ASP A 79 -14.288 0.750 -4.935 1.00 0.00 H new ATOM 0 HA ASP A 79 -16.109 2.626 -3.940 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -15.993 0.477 -5.826 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -17.394 0.196 -4.810 1.00 0.00 H new ATOM 1064 N GLY A 80 -15.713 0.042 -2.060 1.00 0.00 N ATOM 1065 CA GLY A 80 -16.109 -0.585 -0.815 1.00 0.00 C ATOM 1066 C GLY A 80 -16.845 -1.889 -1.091 1.00 0.00 C ATOM 1067 O GLY A 80 -17.679 -2.314 -0.295 1.00 0.00 O ATOM 0 H GLY A 80 -14.819 -0.282 -2.429 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -15.229 -0.779 -0.202 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -16.750 0.090 -0.248 1.00 0.00 H new ATOM 1071 N THR A 81 -16.534 -2.523 -2.223 1.00 0.00 N ATOM 1072 CA THR A 81 -17.166 -3.773 -2.594 1.00 0.00 C ATOM 1073 C THR A 81 -16.168 -4.915 -2.474 1.00 0.00 C ATOM 1074 O THR A 81 -14.983 -4.739 -2.747 1.00 0.00 O ATOM 1075 CB THR A 81 -17.700 -3.668 -4.020 1.00 0.00 C ATOM 1076 OG1 THR A 81 -18.892 -2.915 -4.021 1.00 0.00 O ATOM 1077 CG2 THR A 81 -17.981 -5.067 -4.562 1.00 0.00 C ATOM 0 H THR A 81 -15.846 -2.184 -2.895 1.00 0.00 H new ATOM 0 HA THR A 81 -17.999 -3.976 -1.921 1.00 0.00 H new ATOM 0 HB THR A 81 -16.959 -3.176 -4.650 1.00 0.00 H new ATOM 0 HG1 THR A 81 -19.234 -2.846 -4.937 1.00 0.00 H new ATOM 0 HG21 THR A 81 -18.362 -4.993 -5.580 1.00 0.00 H new ATOM 0 HG22 THR A 81 -17.060 -5.649 -4.561 1.00 0.00 H new ATOM 0 HG23 THR A 81 -18.722 -5.559 -3.932 1.00 0.00 H new ATOM 1085 N ARG A 82 -16.651 -6.090 -2.065 1.00 0.00 N ATOM 1086 CA ARG A 82 -15.803 -7.255 -1.910 1.00 0.00 C ATOM 1087 C ARG A 82 -15.495 -7.853 -3.276 1.00 0.00 C ATOM 1088 O ARG A 82 -16.273 -8.649 -3.796 1.00 0.00 O ATOM 1089 CB ARG A 82 -16.500 -8.277 -1.017 1.00 0.00 C ATOM 1090 CG ARG A 82 -17.954 -8.427 -1.456 1.00 0.00 C ATOM 1091 CD ARG A 82 -18.435 -9.842 -1.148 1.00 0.00 C ATOM 1092 NE ARG A 82 -19.493 -10.250 -2.073 1.00 0.00 N ATOM 1093 CZ ARG A 82 -20.257 -11.332 -1.869 1.00 0.00 C ATOM 1094 NH1 ARG A 82 -20.067 -12.091 -0.782 1.00 0.00 N ATOM 1095 NH2 ARG A 82 -21.211 -11.655 -2.754 1.00 0.00 N ATOM 0 H ARG A 82 -17.632 -6.252 -1.836 1.00 0.00 H new ATOM 0 HA ARG A 82 -14.863 -6.965 -1.441 1.00 0.00 H new ATOM 0 HB2 ARG A 82 -15.989 -9.238 -1.078 1.00 0.00 H new ATOM 0 HB3 ARG A 82 -16.454 -7.958 0.024 1.00 0.00 H new ATOM 0 HG2 ARG A 82 -18.578 -7.699 -0.939 1.00 0.00 H new ATOM 0 HG3 ARG A 82 -18.046 -8.224 -2.523 1.00 0.00 H new ATOM 0 HD2 ARG A 82 -17.598 -10.537 -1.217 1.00 0.00 H new ATOM 0 HD3 ARG A 82 -18.805 -9.889 -0.124 1.00 0.00 H new ATOM 0 HE ARG A 82 -19.656 -9.687 -2.908 1.00 0.00 H new ATOM 0 HH11 ARG A 82 -19.341 -11.846 -0.109 1.00 0.00 H new ATOM 0 HH12 ARG A 82 -20.649 -12.914 -0.627 1.00 0.00 H new ATOM 0 HH21 ARG A 82 -21.355 -11.077 -3.582 1.00 0.00 H new ATOM 0 HH22 ARG A 82 -21.793 -12.478 -2.599 1.00 0.00 H new ATOM 1109 N TRP A 83 -14.355 -7.469 -3.856 1.00 0.00 N ATOM 1110 CA TRP A 83 -13.955 -7.973 -5.154 1.00 0.00 C ATOM 1111 C TRP A 83 -13.736 -9.477 -5.081 1.00 0.00 C ATOM 1112 O TRP A 83 -14.363 -10.234 -5.819 1.00 0.00 O ATOM 1113 CB TRP A 83 -12.681 -7.262 -5.603 1.00 0.00 C ATOM 1114 CG TRP A 83 -12.418 -7.311 -7.074 1.00 0.00 C ATOM 1115 CD1 TRP A 83 -11.593 -8.185 -7.691 1.00 0.00 C ATOM 1116 CD2 TRP A 83 -12.965 -6.465 -8.131 1.00 0.00 C ATOM 1117 NE1 TRP A 83 -11.592 -7.940 -9.048 1.00 0.00 N ATOM 1118 CE2 TRP A 83 -12.422 -6.888 -9.375 1.00 0.00 C ATOM 1119 CE3 TRP A 83 -13.863 -5.384 -8.166 1.00 0.00 C ATOM 1120 CZ2 TRP A 83 -12.751 -6.273 -10.586 1.00 0.00 C ATOM 1121 CZ3 TRP A 83 -14.201 -4.760 -9.376 1.00 0.00 C ATOM 1122 CH2 TRP A 83 -13.648 -5.201 -10.585 1.00 0.00 C ATOM 0 H TRP A 83 -13.698 -6.809 -3.439 1.00 0.00 H new ATOM 0 HA TRP A 83 -14.742 -7.777 -5.882 1.00 0.00 H new ATOM 0 HB2 TRP A 83 -12.736 -6.218 -5.293 1.00 0.00 H new ATOM 0 HB3 TRP A 83 -11.832 -7.705 -5.082 1.00 0.00 H new ATOM 0 HD1 TRP A 83 -11.022 -8.957 -7.197 1.00 0.00 H new ATOM 0 HE1 TRP A 83 -11.045 -8.471 -9.726 1.00 0.00 H new ATOM 0 HE3 TRP A 83 -14.300 -5.028 -7.245 1.00 0.00 H new ATOM 0 HZ2 TRP A 83 -12.317 -6.622 -11.512 1.00 0.00 H new ATOM 0 HZ3 TRP A 83 -14.894 -3.932 -9.375 1.00 0.00 H new ATOM 0 HH2 TRP A 83 -13.913 -4.715 -11.512 1.00 0.00 H new ATOM 1133 N GLY A 84 -12.844 -9.910 -4.188 1.00 0.00 N ATOM 1134 CA GLY A 84 -12.551 -11.321 -4.028 1.00 0.00 C ATOM 1135 C GLY A 84 -11.158 -11.507 -3.443 1.00 0.00 C ATOM 1136 O GLY A 84 -10.349 -10.582 -3.453 1.00 0.00 O ATOM 0 H GLY A 84 -12.315 -9.297 -3.567 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -13.292 -11.782 -3.375 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -12.619 -11.825 -4.992 1.00 0.00 H new ATOM 1140 N THR A 85 -10.878 -12.709 -2.933 1.00 0.00 N ATOM 1141 CA THR A 85 -9.586 -13.006 -2.350 1.00 0.00 C ATOM 1142 C THR A 85 -8.492 -12.822 -3.391 1.00 0.00 C ATOM 1143 O THR A 85 -8.327 -13.658 -4.278 1.00 0.00 O ATOM 1144 CB THR A 85 -9.587 -14.435 -1.814 1.00 0.00 C ATOM 1145 OG1 THR A 85 -10.898 -14.795 -1.440 1.00 0.00 O ATOM 1146 CG2 THR A 85 -8.669 -14.524 -0.599 1.00 0.00 C ATOM 0 H THR A 85 -11.537 -13.488 -2.916 1.00 0.00 H new ATOM 0 HA THR A 85 -9.391 -12.321 -1.525 1.00 0.00 H new ATOM 0 HB THR A 85 -9.230 -15.114 -2.589 1.00 0.00 H new ATOM 0 HG1 THR A 85 -10.900 -15.713 -1.097 1.00 0.00 H new ATOM 0 HG21 THR A 85 -8.670 -15.545 -0.216 1.00 0.00 H new ATOM 0 HG22 THR A 85 -7.655 -14.246 -0.888 1.00 0.00 H new ATOM 0 HG23 THR A 85 -9.025 -13.846 0.176 1.00 0.00 H new ATOM 1154 N VAL A 86 -7.741 -11.723 -3.282 1.00 0.00 N ATOM 1155 CA VAL A 86 -6.668 -11.434 -4.211 1.00 0.00 C ATOM 1156 C VAL A 86 -5.460 -12.302 -3.889 1.00 0.00 C ATOM 1157 O VAL A 86 -5.249 -12.672 -2.736 1.00 0.00 O ATOM 1158 CB VAL A 86 -6.308 -9.954 -4.127 1.00 0.00 C ATOM 1159 CG1 VAL A 86 -5.047 -9.689 -4.945 1.00 0.00 C ATOM 1160 CG2 VAL A 86 -7.458 -9.118 -4.682 1.00 0.00 C ATOM 0 H VAL A 86 -7.865 -11.021 -2.552 1.00 0.00 H new ATOM 0 HA VAL A 86 -6.991 -11.658 -5.227 1.00 0.00 H new ATOM 0 HB VAL A 86 -6.130 -9.683 -3.086 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -4.790 -8.631 -4.885 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -4.225 -10.285 -4.550 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -5.225 -9.961 -5.986 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -7.201 -8.060 -4.622 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -7.636 -9.390 -5.722 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -8.359 -9.306 -4.098 1.00 0.00 H new ATOM 1170 N ASP A 87 -4.666 -12.627 -4.912 1.00 0.00 N ATOM 1171 CA ASP A 87 -3.486 -13.449 -4.733 1.00 0.00 C ATOM 1172 C ASP A 87 -2.243 -12.653 -5.101 1.00 0.00 C ATOM 1173 O ASP A 87 -1.858 -12.604 -6.267 1.00 0.00 O ATOM 1174 CB ASP A 87 -3.603 -14.701 -5.598 1.00 0.00 C ATOM 1175 CG ASP A 87 -4.185 -15.860 -4.801 1.00 0.00 C ATOM 1176 OD1 ASP A 87 -4.883 -15.571 -3.805 1.00 0.00 O ATOM 1177 OD2 ASP A 87 -3.921 -17.014 -5.204 1.00 0.00 O ATOM 0 H ASP A 87 -4.827 -12.328 -5.874 1.00 0.00 H new ATOM 0 HA ASP A 87 -3.403 -13.752 -3.689 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -4.236 -14.494 -6.461 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -2.621 -14.976 -5.982 1.00 0.00 H new ATOM 1182 N CYS A 88 -1.615 -12.027 -4.103 1.00 0.00 N ATOM 1183 CA CYS A 88 -0.421 -11.237 -4.326 1.00 0.00 C ATOM 1184 C CYS A 88 0.606 -12.061 -5.090 1.00 0.00 C ATOM 1185 O CYS A 88 1.439 -11.509 -5.806 1.00 0.00 O ATOM 1186 CB CYS A 88 0.143 -10.779 -2.984 1.00 0.00 C ATOM 1187 SG CYS A 88 -0.729 -9.367 -2.262 1.00 0.00 S ATOM 0 H CYS A 88 -1.922 -12.058 -3.131 1.00 0.00 H new ATOM 0 HA CYS A 88 -0.667 -10.357 -4.921 1.00 0.00 H new ATOM 0 HB2 CYS A 88 0.107 -11.613 -2.283 1.00 0.00 H new ATOM 0 HB3 CYS A 88 1.193 -10.517 -3.113 1.00 0.00 H new ATOM 1192 N THR A 89 0.546 -13.386 -4.937 1.00 0.00 N ATOM 1193 CA THR A 89 1.470 -14.273 -5.614 1.00 0.00 C ATOM 1194 C THR A 89 1.027 -14.481 -7.056 1.00 0.00 C ATOM 1195 O THR A 89 1.673 -15.207 -7.808 1.00 0.00 O ATOM 1196 CB THR A 89 1.533 -15.604 -4.871 1.00 0.00 C ATOM 1197 OG1 THR A 89 0.229 -16.122 -4.725 1.00 0.00 O ATOM 1198 CG2 THR A 89 2.151 -15.389 -3.493 1.00 0.00 C ATOM 0 H THR A 89 -0.138 -13.860 -4.347 1.00 0.00 H new ATOM 0 HA THR A 89 2.465 -13.828 -5.622 1.00 0.00 H new ATOM 0 HB THR A 89 2.143 -16.308 -5.437 1.00 0.00 H new ATOM 0 HG1 THR A 89 0.268 -16.978 -4.249 1.00 0.00 H new ATOM 0 HG21 THR A 89 2.196 -16.340 -2.962 1.00 0.00 H new ATOM 0 HG22 THR A 89 3.158 -14.988 -3.605 1.00 0.00 H new ATOM 0 HG23 THR A 89 1.541 -14.686 -2.926 1.00 0.00 H new ATOM 1206 N THR A 90 -0.078 -13.839 -7.441 1.00 0.00 N ATOM 1207 CA THR A 90 -0.597 -13.958 -8.788 1.00 0.00 C ATOM 1208 C THR A 90 -0.568 -12.602 -9.477 1.00 0.00 C ATOM 1209 O THR A 90 -0.467 -12.525 -10.700 1.00 0.00 O ATOM 1210 CB THR A 90 -2.020 -14.508 -8.738 1.00 0.00 C ATOM 1211 OG1 THR A 90 -1.976 -15.912 -8.614 1.00 0.00 O ATOM 1212 CG2 THR A 90 -2.756 -14.134 -10.021 1.00 0.00 C ATOM 0 H THR A 90 -0.626 -13.232 -6.831 1.00 0.00 H new ATOM 0 HA THR A 90 0.026 -14.646 -9.360 1.00 0.00 H new ATOM 0 HB THR A 90 -2.544 -14.083 -7.882 1.00 0.00 H new ATOM 0 HG1 THR A 90 -2.889 -16.266 -8.580 1.00 0.00 H new ATOM 0 HG21 THR A 90 -3.772 -14.527 -9.985 1.00 0.00 H new ATOM 0 HG22 THR A 90 -2.790 -13.049 -10.118 1.00 0.00 H new ATOM 0 HG23 THR A 90 -2.233 -14.559 -10.878 1.00 0.00 H new ATOM 1220 N ALA A 91 -0.657 -11.529 -8.687 1.00 0.00 N ATOM 1221 CA ALA A 91 -0.641 -10.182 -9.222 1.00 0.00 C ATOM 1222 C ALA A 91 0.348 -9.329 -8.441 1.00 0.00 C ATOM 1223 O ALA A 91 1.052 -9.832 -7.569 1.00 0.00 O ATOM 1224 CB ALA A 91 -2.045 -9.590 -9.147 1.00 0.00 C ATOM 0 H ALA A 91 -0.741 -11.577 -7.672 1.00 0.00 H new ATOM 0 HA ALA A 91 -0.326 -10.204 -10.265 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -2.035 -8.577 -9.549 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -2.731 -10.205 -9.730 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -2.374 -9.565 -8.108 1.00 0.00 H new ATOM 1230 N ALA A 92 0.398 -8.032 -8.756 1.00 0.00 N ATOM 1231 CA ALA A 92 1.300 -7.117 -8.084 1.00 0.00 C ATOM 1232 C ALA A 92 0.538 -6.322 -7.034 1.00 0.00 C ATOM 1233 O ALA A 92 -0.479 -5.702 -7.338 1.00 0.00 O ATOM 1234 CB ALA A 92 1.936 -6.186 -9.112 1.00 0.00 C ATOM 0 H ALA A 92 -0.181 -7.599 -9.476 1.00 0.00 H new ATOM 0 HA ALA A 92 2.090 -7.678 -7.584 1.00 0.00 H new ATOM 0 HB1 ALA A 92 2.614 -5.497 -8.609 1.00 0.00 H new ATOM 0 HB2 ALA A 92 2.492 -6.775 -9.841 1.00 0.00 H new ATOM 0 HB3 ALA A 92 1.156 -5.620 -9.621 1.00 0.00 H new ATOM 1240 N CYS A 93 1.032 -6.341 -5.794 1.00 0.00 N ATOM 1241 CA CYS A 93 0.398 -5.623 -4.706 1.00 0.00 C ATOM 1242 C CYS A 93 1.196 -4.368 -4.383 1.00 0.00 C ATOM 1243 O CYS A 93 2.397 -4.311 -4.638 1.00 0.00 O ATOM 1244 CB CYS A 93 0.303 -6.533 -3.485 1.00 0.00 C ATOM 1245 SG CYS A 93 -0.803 -7.949 -3.707 1.00 0.00 S ATOM 0 H CYS A 93 1.874 -6.851 -5.526 1.00 0.00 H new ATOM 0 HA CYS A 93 -0.608 -5.324 -4.999 1.00 0.00 H new ATOM 0 HB2 CYS A 93 1.300 -6.899 -3.239 1.00 0.00 H new ATOM 0 HB3 CYS A 93 -0.041 -5.946 -2.633 1.00 0.00 H new ATOM 1250 N GLN A 94 0.525 -3.360 -3.820 1.00 0.00 N ATOM 1251 CA GLN A 94 1.174 -2.114 -3.467 1.00 0.00 C ATOM 1252 C GLN A 94 0.601 -1.585 -2.160 1.00 0.00 C ATOM 1253 O GLN A 94 -0.563 -1.824 -1.848 1.00 0.00 O ATOM 1254 CB GLN A 94 0.976 -1.103 -4.593 1.00 0.00 C ATOM 1255 CG GLN A 94 -0.200 -0.189 -4.256 1.00 0.00 C ATOM 1256 CD GLN A 94 -0.816 0.391 -5.521 1.00 0.00 C ATOM 1257 OE1 GLN A 94 -1.697 -0.220 -6.122 1.00 0.00 O ATOM 1258 NE2 GLN A 94 -0.349 1.575 -5.925 1.00 0.00 N ATOM 0 H GLN A 94 -0.471 -3.392 -3.602 1.00 0.00 H new ATOM 0 HA GLN A 94 2.242 -2.282 -3.330 1.00 0.00 H new ATOM 0 HB2 GLN A 94 1.882 -0.512 -4.729 1.00 0.00 H new ATOM 0 HB3 GLN A 94 0.789 -1.622 -5.533 1.00 0.00 H new ATOM 0 HG2 GLN A 94 -0.954 -0.749 -3.703 1.00 0.00 H new ATOM 0 HG3 GLN A 94 0.137 0.619 -3.607 1.00 0.00 H new ATOM 0 HE21 GLN A 94 0.384 2.043 -5.392 1.00 0.00 H new ATOM 0 HE22 GLN A 94 -0.725 2.011 -6.767 1.00 0.00 H new ATOM 1267 N VAL A 95 1.423 -0.863 -1.395 1.00 0.00 N ATOM 1268 CA VAL A 95 0.996 -0.304 -0.128 1.00 0.00 C ATOM 1269 C VAL A 95 0.905 1.211 -0.238 1.00 0.00 C ATOM 1270 O VAL A 95 1.443 1.801 -1.173 1.00 0.00 O ATOM 1271 CB VAL A 95 1.982 -0.709 0.964 1.00 0.00 C ATOM 1272 CG1 VAL A 95 1.884 0.273 2.128 1.00 0.00 C ATOM 1273 CG2 VAL A 95 1.648 -2.114 1.455 1.00 0.00 C ATOM 0 H VAL A 95 2.391 -0.656 -1.640 1.00 0.00 H new ATOM 0 HA VAL A 95 0.010 -0.690 0.131 1.00 0.00 H new ATOM 0 HB VAL A 95 2.995 -0.696 0.562 1.00 0.00 H new ATOM 0 HG11 VAL A 95 2.588 -0.016 2.908 1.00 0.00 H new ATOM 0 HG12 VAL A 95 2.123 1.277 1.778 1.00 0.00 H new ATOM 0 HG13 VAL A 95 0.871 0.260 2.531 1.00 0.00 H new ATOM 0 HG21 VAL A 95 2.352 -2.404 2.235 1.00 0.00 H new ATOM 0 HG22 VAL A 95 0.635 -2.128 1.857 1.00 0.00 H new ATOM 0 HG23 VAL A 95 1.718 -2.816 0.624 1.00 0.00 H new ATOM 1283 N GLY A 96 0.222 1.842 0.719 1.00 0.00 N ATOM 1284 CA GLY A 96 0.067 3.283 0.720 1.00 0.00 C ATOM 1285 C GLY A 96 -0.726 3.728 1.941 1.00 0.00 C ATOM 1286 O GLY A 96 -1.345 2.908 2.615 1.00 0.00 O ATOM 0 H GLY A 96 -0.230 1.369 1.501 1.00 0.00 H new ATOM 0 HA2 GLY A 96 1.047 3.761 0.720 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -0.443 3.601 -0.189 1.00 0.00 H new ATOM 1290 N LEU A 97 -0.706 5.033 2.224 1.00 0.00 N ATOM 1291 CA LEU A 97 -1.421 5.580 3.360 1.00 0.00 C ATOM 1292 C LEU A 97 -2.283 6.752 2.911 1.00 0.00 C ATOM 1293 O LEU A 97 -1.771 7.733 2.376 1.00 0.00 O ATOM 1294 CB LEU A 97 -0.422 6.021 4.425 1.00 0.00 C ATOM 1295 CG LEU A 97 0.469 7.124 3.861 1.00 0.00 C ATOM 1296 CD1 LEU A 97 0.576 8.260 4.874 1.00 0.00 C ATOM 1297 CD2 LEU A 97 1.859 6.561 3.579 1.00 0.00 C ATOM 0 H LEU A 97 -0.198 5.726 1.674 1.00 0.00 H new ATOM 0 HA LEU A 97 -2.073 4.817 3.786 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -0.950 6.381 5.308 1.00 0.00 H new ATOM 0 HB3 LEU A 97 0.186 5.174 4.741 1.00 0.00 H new ATOM 0 HG LEU A 97 0.036 7.503 2.935 1.00 0.00 H new ATOM 0 HD11 LEU A 97 1.212 9.048 4.471 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -0.417 8.663 5.075 1.00 0.00 H new ATOM 0 HD13 LEU A 97 1.009 7.882 5.800 1.00 0.00 H new ATOM 0 HD21 LEU A 97 2.496 7.349 3.176 1.00 0.00 H new ATOM 0 HD22 LEU A 97 2.293 6.182 4.504 1.00 0.00 H new ATOM 0 HD23 LEU A 97 1.783 5.750 2.855 1.00 0.00 H new ATOM 1309 N SER A 98 -3.596 6.648 3.132 1.00 0.00 N ATOM 1310 CA SER A 98 -4.519 7.698 2.751 1.00 0.00 C ATOM 1311 C SER A 98 -4.940 8.487 3.983 1.00 0.00 C ATOM 1312 O SER A 98 -4.974 7.947 5.087 1.00 0.00 O ATOM 1313 CB SER A 98 -5.733 7.081 2.063 1.00 0.00 C ATOM 1314 OG SER A 98 -5.551 7.121 0.665 1.00 0.00 O ATOM 0 H SER A 98 -4.036 5.841 3.575 1.00 0.00 H new ATOM 0 HA SER A 98 -4.032 8.382 2.056 1.00 0.00 H new ATOM 0 HB2 SER A 98 -5.868 6.051 2.394 1.00 0.00 H new ATOM 0 HB3 SER A 98 -6.636 7.625 2.339 1.00 0.00 H new ATOM 0 HG SER A 98 -6.330 6.723 0.222 1.00 0.00 H new ATOM 1320 N ASP A 99 -5.263 9.768 3.792 1.00 0.00 N ATOM 1321 CA ASP A 99 -5.680 10.623 4.885 1.00 0.00 C ATOM 1322 C ASP A 99 -7.162 10.942 4.752 1.00 0.00 C ATOM 1323 O ASP A 99 -7.893 10.230 4.068 1.00 0.00 O ATOM 1324 CB ASP A 99 -4.847 11.902 4.875 1.00 0.00 C ATOM 1325 CG ASP A 99 -5.503 12.970 4.011 1.00 0.00 C ATOM 1326 OD1 ASP A 99 -5.796 12.651 2.839 1.00 0.00 O ATOM 1327 OD2 ASP A 99 -5.698 14.086 4.539 1.00 0.00 O ATOM 0 H ASP A 99 -5.241 10.230 2.883 1.00 0.00 H new ATOM 0 HA ASP A 99 -5.523 10.111 5.834 1.00 0.00 H new ATOM 0 HB2 ASP A 99 -4.731 12.273 5.893 1.00 0.00 H new ATOM 0 HB3 ASP A 99 -3.847 11.687 4.498 1.00 0.00 H new ATOM 1332 N ALA A 100 -7.604 12.017 5.410 1.00 0.00 N ATOM 1333 CA ALA A 100 -8.994 12.423 5.363 1.00 0.00 C ATOM 1334 C ALA A 100 -9.409 12.678 3.921 1.00 0.00 C ATOM 1335 O ALA A 100 -10.441 12.185 3.474 1.00 0.00 O ATOM 1336 CB ALA A 100 -9.185 13.678 6.211 1.00 0.00 C ATOM 0 H ALA A 100 -7.010 12.618 5.981 1.00 0.00 H new ATOM 0 HA ALA A 100 -9.623 11.629 5.765 1.00 0.00 H new ATOM 0 HB1 ALA A 100 -10.230 13.985 6.177 1.00 0.00 H new ATOM 0 HB2 ALA A 100 -8.903 13.467 7.242 1.00 0.00 H new ATOM 0 HB3 ALA A 100 -8.559 14.480 5.820 1.00 0.00 H new ATOM 1342 N ALA A 101 -8.600 13.452 3.194 1.00 0.00 N ATOM 1343 CA ALA A 101 -8.886 13.769 1.809 1.00 0.00 C ATOM 1344 C ALA A 101 -8.577 12.566 0.930 1.00 0.00 C ATOM 1345 O ALA A 101 -9.151 12.417 -0.146 1.00 0.00 O ATOM 1346 CB ALA A 101 -8.058 14.978 1.383 1.00 0.00 C ATOM 0 H ALA A 101 -7.740 13.868 3.551 1.00 0.00 H new ATOM 0 HA ALA A 101 -9.943 14.012 1.698 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -8.272 15.217 0.341 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -8.311 15.832 2.011 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -6.998 14.750 1.492 1.00 0.00 H new ATOM 1352 N GLY A 102 -7.666 11.705 1.390 1.00 0.00 N ATOM 1353 CA GLY A 102 -7.289 10.523 0.641 1.00 0.00 C ATOM 1354 C GLY A 102 -5.979 10.763 -0.097 1.00 0.00 C ATOM 1355 O GLY A 102 -5.836 10.375 -1.255 1.00 0.00 O ATOM 0 H GLY A 102 -7.180 11.812 2.280 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -7.184 9.674 1.316 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -8.074 10.269 -0.071 1.00 0.00 H new ATOM 1359 N ASN A 103 -5.021 11.404 0.576 1.00 0.00 N ATOM 1360 CA ASN A 103 -3.731 11.691 -0.019 1.00 0.00 C ATOM 1361 C ASN A 103 -2.650 10.864 0.663 1.00 0.00 C ATOM 1362 O ASN A 103 -2.881 10.291 1.726 1.00 0.00 O ATOM 1363 CB ASN A 103 -3.433 13.182 0.109 1.00 0.00 C ATOM 1364 CG ASN A 103 -3.886 13.711 1.462 1.00 0.00 C ATOM 1365 OD1 ASN A 103 -4.800 14.530 1.536 1.00 0.00 O ATOM 1366 ND2 ASN A 103 -3.246 13.241 2.535 1.00 0.00 N ATOM 0 H ASN A 103 -5.123 11.732 1.536 1.00 0.00 H new ATOM 0 HA ASN A 103 -3.748 11.426 -1.076 1.00 0.00 H new ATOM 0 HB2 ASN A 103 -2.364 13.355 -0.015 1.00 0.00 H new ATOM 0 HB3 ASN A 103 -3.939 13.728 -0.687 1.00 0.00 H new ATOM 0 HD21 ASN A 103 -3.510 13.561 3.467 1.00 0.00 H new ATOM 0 HD22 ASN A 103 -2.493 12.562 2.423 1.00 0.00 H new ATOM 1373 N GLY A 104 -1.466 10.803 0.049 1.00 0.00 N ATOM 1374 CA GLY A 104 -0.360 10.048 0.603 1.00 0.00 C ATOM 1375 C GLY A 104 0.893 10.255 -0.237 1.00 0.00 C ATOM 1376 O GLY A 104 0.878 11.015 -1.202 1.00 0.00 O ATOM 0 H GLY A 104 -1.257 11.271 -0.833 1.00 0.00 H new ATOM 0 HA2 GLY A 104 -0.174 10.363 1.630 1.00 0.00 H new ATOM 0 HA3 GLY A 104 -0.614 8.988 0.635 1.00 0.00 H new ATOM 1380 N PRO A 105 1.980 9.575 0.135 1.00 0.00 N ATOM 1381 CA PRO A 105 3.257 9.645 -0.542 1.00 0.00 C ATOM 1382 C PRO A 105 3.169 8.915 -1.875 1.00 0.00 C ATOM 1383 O PRO A 105 2.315 8.050 -2.056 1.00 0.00 O ATOM 1384 CB PRO A 105 4.238 8.950 0.399 1.00 0.00 C ATOM 1385 CG PRO A 105 3.356 7.926 1.111 1.00 0.00 C ATOM 1386 CD PRO A 105 2.033 8.673 1.265 1.00 0.00 C ATOM 0 HA PRO A 105 3.567 10.667 -0.759 1.00 0.00 H new ATOM 0 HB2 PRO A 105 5.052 8.473 -0.146 1.00 0.00 H new ATOM 0 HB3 PRO A 105 4.691 9.651 1.100 1.00 0.00 H new ATOM 0 HG2 PRO A 105 3.240 7.014 0.525 1.00 0.00 H new ATOM 0 HG3 PRO A 105 3.771 7.635 2.076 1.00 0.00 H new ATOM 0 HD2 PRO A 105 1.188 7.985 1.261 1.00 0.00 H new ATOM 0 HD3 PRO A 105 1.995 9.219 2.208 1.00 0.00 H new ATOM 1394 N GLU A 106 4.054 9.266 -2.810 1.00 0.00 N ATOM 1395 CA GLU A 106 4.069 8.643 -4.118 1.00 0.00 C ATOM 1396 C GLU A 106 3.697 7.172 -3.996 1.00 0.00 C ATOM 1397 O GLU A 106 4.312 6.435 -3.229 1.00 0.00 O ATOM 1398 CB GLU A 106 5.454 8.801 -4.740 1.00 0.00 C ATOM 1399 CG GLU A 106 5.369 9.740 -5.939 1.00 0.00 C ATOM 1400 CD GLU A 106 6.592 9.593 -6.833 1.00 0.00 C ATOM 1401 OE1 GLU A 106 6.823 8.455 -7.295 1.00 0.00 O ATOM 1402 OE2 GLU A 106 7.273 10.621 -7.036 1.00 0.00 O ATOM 0 H GLU A 106 4.768 9.982 -2.677 1.00 0.00 H new ATOM 0 HA GLU A 106 3.337 9.129 -4.763 1.00 0.00 H new ATOM 0 HB2 GLU A 106 6.152 9.197 -4.003 1.00 0.00 H new ATOM 0 HB3 GLU A 106 5.837 7.829 -5.052 1.00 0.00 H new ATOM 0 HG2 GLU A 106 4.467 9.524 -6.512 1.00 0.00 H new ATOM 0 HG3 GLU A 106 5.288 10.771 -5.594 1.00 0.00 H new ATOM 1409 N GLY A 107 2.688 6.744 -4.758 1.00 0.00 N ATOM 1410 CA GLY A 107 2.244 5.365 -4.729 1.00 0.00 C ATOM 1411 C GLY A 107 3.435 4.431 -4.568 1.00 0.00 C ATOM 1412 O GLY A 107 4.545 4.758 -4.982 1.00 0.00 O ATOM 0 H GLY A 107 2.168 7.341 -5.401 1.00 0.00 H new ATOM 0 HA2 GLY A 107 1.544 5.218 -3.906 1.00 0.00 H new ATOM 0 HA3 GLY A 107 1.709 5.128 -5.649 1.00 0.00 H new ATOM 1416 N VAL A 108 3.202 3.263 -3.964 1.00 0.00 N ATOM 1417 CA VAL A 108 4.252 2.288 -3.751 1.00 0.00 C ATOM 1418 C VAL A 108 3.850 0.955 -4.364 1.00 0.00 C ATOM 1419 O VAL A 108 3.017 0.241 -3.809 1.00 0.00 O ATOM 1420 CB VAL A 108 4.511 2.140 -2.254 1.00 0.00 C ATOM 1421 CG1 VAL A 108 5.108 0.764 -1.975 1.00 0.00 C ATOM 1422 CG2 VAL A 108 5.488 3.220 -1.798 1.00 0.00 C ATOM 0 H VAL A 108 2.287 2.977 -3.615 1.00 0.00 H new ATOM 0 HA VAL A 108 5.170 2.624 -4.233 1.00 0.00 H new ATOM 0 HB VAL A 108 3.572 2.246 -1.710 1.00 0.00 H new ATOM 0 HG11 VAL A 108 5.293 0.658 -0.906 1.00 0.00 H new ATOM 0 HG12 VAL A 108 4.411 -0.008 -2.301 1.00 0.00 H new ATOM 0 HG13 VAL A 108 6.047 0.658 -2.518 1.00 0.00 H new ATOM 0 HG21 VAL A 108 5.673 3.115 -0.729 1.00 0.00 H new ATOM 0 HG22 VAL A 108 6.427 3.114 -2.341 1.00 0.00 H new ATOM 0 HG23 VAL A 108 5.062 4.203 -1.997 1.00 0.00 H new ATOM 1432 N ALA A 109 4.444 0.620 -5.511 1.00 0.00 N ATOM 1433 CA ALA A 109 4.144 -0.623 -6.193 1.00 0.00 C ATOM 1434 C ALA A 109 4.990 -1.747 -5.610 1.00 0.00 C ATOM 1435 O ALA A 109 6.129 -1.524 -5.207 1.00 0.00 O ATOM 1436 CB ALA A 109 4.414 -0.462 -7.686 1.00 0.00 C ATOM 0 H ALA A 109 5.138 1.201 -5.982 1.00 0.00 H new ATOM 0 HA ALA A 109 3.093 -0.875 -6.053 1.00 0.00 H new ATOM 0 HB1 ALA A 109 4.189 -1.397 -8.199 1.00 0.00 H new ATOM 0 HB2 ALA A 109 3.784 0.333 -8.086 1.00 0.00 H new ATOM 0 HB3 ALA A 109 5.462 -0.207 -7.841 1.00 0.00 H new ATOM 1442 N ILE A 110 4.428 -2.957 -5.567 1.00 0.00 N ATOM 1443 CA ILE A 110 5.130 -4.109 -5.036 1.00 0.00 C ATOM 1444 C ILE A 110 5.233 -5.187 -6.106 1.00 0.00 C ATOM 1445 O ILE A 110 4.441 -5.209 -7.046 1.00 0.00 O ATOM 1446 CB ILE A 110 4.391 -4.633 -3.808 1.00 0.00 C ATOM 1447 CG1 ILE A 110 3.727 -3.469 -3.078 1.00 0.00 C ATOM 1448 CG2 ILE A 110 5.382 -5.322 -2.874 1.00 0.00 C ATOM 1449 CD1 ILE A 110 3.039 -3.986 -1.818 1.00 0.00 C ATOM 0 H ILE A 110 3.484 -3.156 -5.897 1.00 0.00 H new ATOM 0 HA ILE A 110 6.139 -3.821 -4.740 1.00 0.00 H new ATOM 0 HB ILE A 110 3.629 -5.347 -4.120 1.00 0.00 H new ATOM 0 HG12 ILE A 110 4.472 -2.717 -2.816 1.00 0.00 H new ATOM 0 HG13 ILE A 110 3.000 -2.984 -3.730 1.00 0.00 H new ATOM 0 HG21 ILE A 110 4.855 -5.697 -1.997 1.00 0.00 H new ATOM 0 HG22 ILE A 110 5.855 -6.154 -3.395 1.00 0.00 H new ATOM 0 HG23 ILE A 110 6.144 -4.608 -2.562 1.00 0.00 H new ATOM 0 HD11 ILE A 110 2.564 -3.155 -1.296 1.00 0.00 H new ATOM 0 HD12 ILE A 110 2.283 -4.722 -2.092 1.00 0.00 H new ATOM 0 HD13 ILE A 110 3.778 -4.451 -1.165 1.00 0.00 H new ATOM 1461 N SER A 111 6.212 -6.083 -5.962 1.00 0.00 N ATOM 1462 CA SER A 111 6.410 -7.157 -6.914 1.00 0.00 C ATOM 1463 C SER A 111 6.710 -8.454 -6.176 1.00 0.00 C ATOM 1464 O SER A 111 7.732 -8.565 -5.501 1.00 0.00 O ATOM 1465 CB SER A 111 7.554 -6.795 -7.857 1.00 0.00 C ATOM 1466 OG SER A 111 7.103 -6.863 -9.191 1.00 0.00 O ATOM 0 H SER A 111 6.878 -6.078 -5.189 1.00 0.00 H new ATOM 0 HA SER A 111 5.503 -7.299 -7.501 1.00 0.00 H new ATOM 0 HB2 SER A 111 7.918 -5.792 -7.636 1.00 0.00 H new ATOM 0 HB3 SER A 111 8.391 -7.478 -7.710 1.00 0.00 H new ATOM 0 HG SER A 111 7.837 -6.629 -9.797 1.00 0.00 H new ATOM 1472 N PHE A 112 5.816 -9.437 -6.305 1.00 0.00 N ATOM 1473 CA PHE A 112 5.992 -10.718 -5.651 1.00 0.00 C ATOM 1474 C PHE A 112 6.831 -11.636 -6.529 1.00 0.00 C ATOM 1475 O PHE A 112 6.401 -12.024 -7.613 1.00 0.00 O ATOM 1476 CB PHE A 112 4.625 -11.337 -5.372 1.00 0.00 C ATOM 1477 CG PHE A 112 3.842 -10.610 -4.304 1.00 0.00 C ATOM 1478 CD1 PHE A 112 3.427 -9.290 -4.517 1.00 0.00 C ATOM 1479 CD2 PHE A 112 3.532 -11.256 -3.102 1.00 0.00 C ATOM 1480 CE1 PHE A 112 2.703 -8.615 -3.527 1.00 0.00 C ATOM 1481 CE2 PHE A 112 2.807 -10.581 -2.111 1.00 0.00 C ATOM 1482 CZ PHE A 112 2.393 -9.261 -2.324 1.00 0.00 C ATOM 0 H PHE A 112 4.963 -9.361 -6.860 1.00 0.00 H new ATOM 0 HA PHE A 112 6.514 -10.579 -4.704 1.00 0.00 H new ATOM 0 HB2 PHE A 112 4.044 -11.347 -6.294 1.00 0.00 H new ATOM 0 HB3 PHE A 112 4.760 -12.375 -5.069 1.00 0.00 H new ATOM 0 HD1 PHE A 112 3.665 -8.792 -5.445 1.00 0.00 H new ATOM 0 HD2 PHE A 112 3.851 -12.275 -2.938 1.00 0.00 H new ATOM 0 HE1 PHE A 112 2.384 -7.596 -3.691 1.00 0.00 H new ATOM 0 HE2 PHE A 112 2.568 -11.079 -1.183 1.00 0.00 H new ATOM 0 HZ PHE A 112 1.834 -8.741 -1.560 1.00 0.00 H new ATOM 1492 N ASN A 113 8.031 -11.983 -6.059 1.00 0.00 N ATOM 1493 CA ASN A 113 8.920 -12.852 -6.803 1.00 0.00 C ATOM 1494 C ASN A 113 10.335 -12.738 -6.255 1.00 0.00 C ATOM 1495 O ASN A 113 10.863 -13.693 -5.689 1.00 0.00 O ATOM 1496 CB ASN A 113 8.880 -12.473 -8.281 1.00 0.00 C ATOM 1497 CG ASN A 113 8.948 -10.962 -8.456 1.00 0.00 C ATOM 1498 OD1 ASN A 113 10.033 -10.385 -8.459 1.00 0.00 O ATOM 1499 ND2 ASN A 113 7.785 -10.324 -8.603 1.00 0.00 N ATOM 0 H ASN A 113 8.403 -11.670 -5.162 1.00 0.00 H new ATOM 0 HA ASN A 113 8.595 -13.887 -6.697 1.00 0.00 H new ATOM 0 HB2 ASN A 113 9.714 -12.942 -8.803 1.00 0.00 H new ATOM 0 HB3 ASN A 113 7.965 -12.855 -8.734 1.00 0.00 H new ATOM 0 HD21 ASN A 113 7.771 -9.311 -8.725 1.00 0.00 H new ATOM 0 HD22 ASN A 113 6.911 -10.849 -8.593 1.00 0.00 H new TER 1506 ASN A 113