USER MOD reduce.3.24.130724 H: found=0, std=0, add=534, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 534 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 61 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 62 THR OG1 : rot -30:sc= 0.584 USER MOD Set 2.1: A 38 LYS NZ :NH3+ 138:sc= -0.37 (180deg=-0.0348) USER MOD Set 2.2: A 68 HIS : no HD1:sc= -1.22 K(o=-1.6,f=-0.48) USER MOD Set 3.1: A 24 TYR OH : rot 180:sc= 0 USER MOD Set 3.2: A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 ILE N :NH3+ -178:sc= -2.46 (180deg=-2.67) USER MOD Single : A 4 HIS : no HD1:sc= -4.96 K(o=-5,f=-7.6!) USER MOD Single : A 5 THR OG1 : rot 153:sc= -0.586 USER MOD Single : A 6 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 THR OG1 : rot 180:sc= -0.274 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot 46:sc= 0.0105 USER MOD Single : A 15 THR OG1 : rot 149:sc= 0.209 USER MOD Single : A 21 ASN : amide:sc= -4.36! C(o=-4.4!,f=-4.6!) USER MOD Single : A 27 MET CE :methyl -161:sc= -0.116 (180deg=-0.582) USER MOD Single : A 34 SER OG : rot -23:sc= 0.643 USER MOD Single : A 35 SER OG : rot -61:sc= 1.14 USER MOD Single : A 47 THR OG1 : rot 180:sc=0.000386 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 51 LYS NZ :NH3+ 155:sc= -1.04 (180deg=-1.82!) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 TYR OH : rot 67:sc= 2.01 USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ -145:sc= -2.71! (180deg=-4.64!) USER MOD Single : A 66 ASN : amide:sc= 0 X(o=0,f=-0.01) USER MOD Single : A 70 LYS NZ :NH3+ -163:sc= 0 (180deg=-0.263) USER MOD Single : A 71 GLN : amide:sc=-0.00261 X(o=-0.0026,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ILE A 1 -0.623 11.670 2.772 1.00 0.00 N ATOM 2 CA ILE A 1 -1.856 12.288 3.328 1.00 0.00 C ATOM 3 C ILE A 1 -2.618 11.293 4.198 1.00 0.00 C ATOM 4 O ILE A 1 -3.028 11.615 5.312 1.00 0.00 O ATOM 5 CB ILE A 1 -2.796 12.792 2.212 1.00 0.00 C ATOM 6 CG1 ILE A 1 -1.997 13.272 0.996 1.00 0.00 C ATOM 7 CG2 ILE A 1 -3.684 13.911 2.738 1.00 0.00 C ATOM 8 CD1 ILE A 1 -1.741 12.185 -0.026 1.00 0.00 C ATOM 0 H1 ILE A 1 -0.104 12.375 2.211 1.00 0.00 H new ATOM 0 H2 ILE A 1 -0.021 11.335 3.551 1.00 0.00 H new ATOM 0 H3 ILE A 1 -0.881 10.867 2.164 1.00 0.00 H new ATOM 0 HA ILE A 1 -1.536 13.137 3.931 1.00 0.00 H new ATOM 0 HB ILE A 1 -3.426 11.961 1.896 1.00 0.00 H new ATOM 0 HG12 ILE A 1 -2.535 14.090 0.517 1.00 0.00 H new ATOM 0 HG13 ILE A 1 -1.042 13.674 1.334 1.00 0.00 H new ATOM 0 HG21 ILE A 1 -4.342 14.258 1.942 1.00 0.00 H new ATOM 0 HG22 ILE A 1 -4.284 13.539 3.569 1.00 0.00 H new ATOM 0 HG23 ILE A 1 -3.062 14.738 3.081 1.00 0.00 H new ATOM 0 HD11 ILE A 1 -1.171 12.596 -0.859 1.00 0.00 H new ATOM 0 HD12 ILE A 1 -1.176 11.376 0.437 1.00 0.00 H new ATOM 0 HD13 ILE A 1 -2.692 11.799 -0.393 1.00 0.00 H new ATOM 22 N VAL A 2 -2.795 10.083 3.678 1.00 0.00 N ATOM 23 CA VAL A 2 -3.501 9.026 4.397 1.00 0.00 C ATOM 24 C VAL A 2 -3.152 7.666 3.804 1.00 0.00 C ATOM 25 O VAL A 2 -2.283 7.573 2.942 1.00 0.00 O ATOM 26 CB VAL A 2 -5.027 9.231 4.337 1.00 0.00 C ATOM 27 CG1 VAL A 2 -5.458 10.334 5.291 1.00 0.00 C ATOM 28 CG2 VAL A 2 -5.464 9.547 2.915 1.00 0.00 C ATOM 0 H VAL A 2 -2.457 9.808 2.756 1.00 0.00 H new ATOM 0 HA VAL A 2 -3.186 9.066 5.440 1.00 0.00 H new ATOM 0 HB VAL A 2 -5.512 8.306 4.648 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -6.539 10.463 5.233 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -5.178 10.064 6.309 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -4.966 11.267 5.015 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -6.544 9.689 2.889 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -4.970 10.458 2.577 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -5.191 8.721 2.258 1.00 0.00 H new ATOM 38 N CYS A 3 -3.822 6.612 4.261 1.00 0.00 N ATOM 39 CA CYS A 3 -3.554 5.274 3.742 1.00 0.00 C ATOM 40 C CYS A 3 -4.452 4.957 2.542 1.00 0.00 C ATOM 41 O CYS A 3 -4.940 5.867 1.877 1.00 0.00 O ATOM 42 CB CYS A 3 -3.731 4.224 4.837 1.00 0.00 C ATOM 43 SG CYS A 3 -2.387 2.989 4.898 1.00 0.00 S ATOM 0 H CYS A 3 -4.545 6.656 4.980 1.00 0.00 H new ATOM 0 HA CYS A 3 -2.518 5.248 3.404 1.00 0.00 H new ATOM 0 HB2 CYS A 3 -3.794 4.726 5.802 1.00 0.00 H new ATOM 0 HB3 CYS A 3 -4.679 3.708 4.683 1.00 0.00 H new ATOM 48 N HIS A 4 -4.631 3.659 2.269 1.00 0.00 N ATOM 49 CA HIS A 4 -5.435 3.154 1.137 1.00 0.00 C ATOM 50 C HIS A 4 -6.347 4.186 0.470 1.00 0.00 C ATOM 51 O HIS A 4 -6.422 4.227 -0.758 1.00 0.00 O ATOM 52 CB HIS A 4 -6.246 1.947 1.583 1.00 0.00 C ATOM 53 CG HIS A 4 -5.369 0.838 2.052 1.00 0.00 C ATOM 54 ND1 HIS A 4 -4.879 0.771 3.333 1.00 0.00 N ATOM 55 CD2 HIS A 4 -4.851 -0.225 1.394 1.00 0.00 C ATOM 56 CE1 HIS A 4 -4.099 -0.282 3.450 1.00 0.00 C ATOM 57 NE2 HIS A 4 -4.062 -0.908 2.285 1.00 0.00 N ATOM 0 H HIS A 4 -4.218 2.916 2.833 1.00 0.00 H new ATOM 0 HA HIS A 4 -4.713 2.879 0.368 1.00 0.00 H new ATOM 0 HB2 HIS A 4 -6.923 2.240 2.385 1.00 0.00 H new ATOM 0 HB3 HIS A 4 -6.864 1.598 0.756 1.00 0.00 H new ATOM 0 HD2 HIS A 4 -5.026 -0.487 0.361 1.00 0.00 H new ATOM 0 HE1 HIS A 4 -3.577 -0.584 4.346 1.00 0.00 H new ATOM 0 HE2 HIS A 4 -3.535 -1.757 2.083 1.00 0.00 H new ATOM 66 N THR A 5 -7.037 5.014 1.247 1.00 0.00 N ATOM 67 CA THR A 5 -7.918 6.010 0.663 1.00 0.00 C ATOM 68 C THR A 5 -9.033 5.330 -0.132 1.00 0.00 C ATOM 69 O THR A 5 -8.854 4.226 -0.647 1.00 0.00 O ATOM 70 CB THR A 5 -7.109 6.955 -0.231 1.00 0.00 C ATOM 71 OG1 THR A 5 -6.204 7.716 0.549 1.00 0.00 O ATOM 72 CG2 THR A 5 -7.965 7.925 -1.014 1.00 0.00 C ATOM 0 H THR A 5 -7.003 5.014 2.266 1.00 0.00 H new ATOM 0 HA THR A 5 -8.379 6.594 1.460 1.00 0.00 H new ATOM 0 HB THR A 5 -6.587 6.311 -0.938 1.00 0.00 H new ATOM 0 HG1 THR A 5 -5.436 7.976 -0.002 1.00 0.00 H new ATOM 0 HG21 THR A 5 -7.326 8.563 -1.625 1.00 0.00 H new ATOM 0 HG22 THR A 5 -8.647 7.370 -1.659 1.00 0.00 H new ATOM 0 HG23 THR A 5 -8.540 8.542 -0.324 1.00 0.00 H new ATOM 80 N THR A 6 -10.184 5.985 -0.220 1.00 0.00 N ATOM 81 CA THR A 6 -11.324 5.430 -0.945 1.00 0.00 C ATOM 82 C THR A 6 -11.269 5.774 -2.435 1.00 0.00 C ATOM 83 O THR A 6 -12.286 5.726 -3.126 1.00 0.00 O ATOM 84 CB THR A 6 -12.632 5.945 -0.342 1.00 0.00 C ATOM 85 OG1 THR A 6 -12.634 5.778 1.064 1.00 0.00 O ATOM 86 CG2 THR A 6 -13.858 5.247 -0.888 1.00 0.00 C ATOM 0 H THR A 6 -10.354 6.899 0.200 1.00 0.00 H new ATOM 0 HA THR A 6 -11.279 4.345 -0.849 1.00 0.00 H new ATOM 0 HB THR A 6 -12.682 6.999 -0.616 1.00 0.00 H new ATOM 0 HG1 THR A 6 -13.478 6.115 1.432 1.00 0.00 H new ATOM 0 HG21 THR A 6 -14.751 5.660 -0.419 1.00 0.00 H new ATOM 0 HG22 THR A 6 -13.912 5.397 -1.966 1.00 0.00 H new ATOM 0 HG23 THR A 6 -13.795 4.180 -0.673 1.00 0.00 H new ATOM 94 N ALA A 7 -10.080 6.120 -2.929 1.00 0.00 N ATOM 95 CA ALA A 7 -9.909 6.468 -4.336 1.00 0.00 C ATOM 96 C ALA A 7 -10.915 7.528 -4.772 1.00 0.00 C ATOM 97 O ALA A 7 -11.265 7.620 -5.948 1.00 0.00 O ATOM 98 CB ALA A 7 -10.041 5.225 -5.204 1.00 0.00 C ATOM 0 H ALA A 7 -9.224 6.166 -2.376 1.00 0.00 H new ATOM 0 HA ALA A 7 -8.910 6.885 -4.461 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -9.912 5.497 -6.251 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -9.278 4.500 -4.920 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -11.029 4.786 -5.063 1.00 0.00 H new ATOM 104 N THR A 8 -11.377 8.326 -3.815 1.00 0.00 N ATOM 105 CA THR A 8 -12.341 9.381 -4.096 1.00 0.00 C ATOM 106 C THR A 8 -12.297 10.450 -3.010 1.00 0.00 C ATOM 107 O THR A 8 -11.708 10.244 -1.949 1.00 0.00 O ATOM 108 CB THR A 8 -13.751 8.799 -4.200 1.00 0.00 C ATOM 109 OG1 THR A 8 -14.718 9.832 -4.262 1.00 0.00 O ATOM 110 CG2 THR A 8 -14.116 7.898 -3.039 1.00 0.00 C ATOM 0 H THR A 8 -11.098 8.261 -2.836 1.00 0.00 H new ATOM 0 HA THR A 8 -12.078 9.840 -5.049 1.00 0.00 H new ATOM 0 HB THR A 8 -13.749 8.204 -5.113 1.00 0.00 H new ATOM 0 HG1 THR A 8 -15.613 9.439 -4.330 1.00 0.00 H new ATOM 0 HG21 THR A 8 -15.129 7.520 -3.177 1.00 0.00 H new ATOM 0 HG22 THR A 8 -13.419 7.061 -2.995 1.00 0.00 H new ATOM 0 HG23 THR A 8 -14.063 8.464 -2.109 1.00 0.00 H new ATOM 118 N SER A 9 -12.917 11.593 -3.281 1.00 0.00 N ATOM 119 CA SER A 9 -12.938 12.692 -2.322 1.00 0.00 C ATOM 120 C SER A 9 -11.515 13.121 -1.969 1.00 0.00 C ATOM 121 O SER A 9 -10.546 12.528 -2.445 1.00 0.00 O ATOM 122 CB SER A 9 -13.693 12.274 -1.058 1.00 0.00 C ATOM 123 OG SER A 9 -14.876 13.037 -0.894 1.00 0.00 O ATOM 0 H SER A 9 -13.410 11.783 -4.153 1.00 0.00 H new ATOM 0 HA SER A 9 -13.452 13.539 -2.776 1.00 0.00 H new ATOM 0 HB2 SER A 9 -13.945 11.215 -1.115 1.00 0.00 H new ATOM 0 HB3 SER A 9 -13.050 12.403 -0.187 1.00 0.00 H new ATOM 0 HG SER A 9 -15.341 12.749 -0.080 1.00 0.00 H new ATOM 129 N PRO A 10 -11.363 14.160 -1.129 1.00 0.00 N ATOM 130 CA PRO A 10 -10.045 14.654 -0.725 1.00 0.00 C ATOM 131 C PRO A 10 -9.144 13.542 -0.194 1.00 0.00 C ATOM 132 O PRO A 10 -8.141 13.200 -0.819 1.00 0.00 O ATOM 133 CB PRO A 10 -10.364 15.664 0.380 1.00 0.00 C ATOM 134 CG PRO A 10 -11.754 16.115 0.091 1.00 0.00 C ATOM 135 CD PRO A 10 -12.459 14.930 -0.510 1.00 0.00 C ATOM 0 HA PRO A 10 -9.497 15.083 -1.564 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -10.293 15.207 1.367 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -9.665 16.500 0.366 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -12.254 16.446 1.001 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -11.755 16.960 -0.598 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -12.982 14.347 0.248 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -13.202 15.235 -1.247 1.00 0.00 H new ATOM 143 N ILE A 11 -9.513 12.979 0.956 1.00 0.00 N ATOM 144 CA ILE A 11 -8.757 11.906 1.578 1.00 0.00 C ATOM 145 C ILE A 11 -9.388 11.532 2.908 1.00 0.00 C ATOM 146 O ILE A 11 -10.113 12.324 3.510 1.00 0.00 O ATOM 147 CB ILE A 11 -7.278 12.278 1.824 1.00 0.00 C ATOM 148 CG1 ILE A 11 -7.125 13.780 2.085 1.00 0.00 C ATOM 149 CG2 ILE A 11 -6.417 11.841 0.648 1.00 0.00 C ATOM 150 CD1 ILE A 11 -8.067 14.313 3.142 1.00 0.00 C ATOM 0 H ILE A 11 -10.344 13.257 1.478 1.00 0.00 H new ATOM 0 HA ILE A 11 -8.782 11.066 0.883 1.00 0.00 H new ATOM 0 HB ILE A 11 -6.937 11.749 2.714 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -6.099 13.984 2.390 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -7.295 14.321 1.154 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -5.378 12.111 0.838 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -6.494 10.761 0.522 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -6.761 12.338 -0.259 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -7.900 15.382 3.272 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -9.097 14.141 2.831 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -7.883 13.800 4.086 1.00 0.00 H new ATOM 162 N SER A 12 -9.107 10.326 3.358 1.00 0.00 N ATOM 163 CA SER A 12 -9.648 9.840 4.622 1.00 0.00 C ATOM 164 C SER A 12 -8.826 8.677 5.169 1.00 0.00 C ATOM 165 O SER A 12 -7.743 8.377 4.666 1.00 0.00 O ATOM 166 CB SER A 12 -11.106 9.412 4.439 1.00 0.00 C ATOM 167 OG SER A 12 -11.988 10.330 5.060 1.00 0.00 O ATOM 0 H SER A 12 -8.507 9.660 2.871 1.00 0.00 H new ATOM 0 HA SER A 12 -9.599 10.655 5.344 1.00 0.00 H new ATOM 0 HB2 SER A 12 -11.337 9.343 3.376 1.00 0.00 H new ATOM 0 HB3 SER A 12 -11.253 8.418 4.863 1.00 0.00 H new ATOM 0 HG SER A 12 -11.725 11.245 4.828 1.00 0.00 H new ATOM 173 N ALA A 13 -9.355 8.025 6.204 1.00 0.00 N ATOM 174 CA ALA A 13 -8.687 6.887 6.834 1.00 0.00 C ATOM 175 C ALA A 13 -7.581 7.339 7.785 1.00 0.00 C ATOM 176 O ALA A 13 -7.640 7.077 8.986 1.00 0.00 O ATOM 177 CB ALA A 13 -8.123 5.941 5.783 1.00 0.00 C ATOM 0 H ALA A 13 -10.251 8.268 6.626 1.00 0.00 H new ATOM 0 HA ALA A 13 -9.437 6.355 7.420 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -7.631 5.102 6.275 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -8.933 5.569 5.156 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -7.401 6.473 5.164 1.00 0.00 H new ATOM 183 N VAL A 14 -6.569 8.007 7.241 1.00 0.00 N ATOM 184 CA VAL A 14 -5.449 8.478 8.047 1.00 0.00 C ATOM 185 C VAL A 14 -4.688 7.298 8.641 1.00 0.00 C ATOM 186 O VAL A 14 -5.292 6.340 9.120 1.00 0.00 O ATOM 187 CB VAL A 14 -5.917 9.401 9.189 1.00 0.00 C ATOM 188 CG1 VAL A 14 -4.724 10.056 9.870 1.00 0.00 C ATOM 189 CG2 VAL A 14 -6.884 10.453 8.665 1.00 0.00 C ATOM 0 H VAL A 14 -6.502 8.234 6.249 1.00 0.00 H new ATOM 0 HA VAL A 14 -4.795 9.047 7.387 1.00 0.00 H new ATOM 0 HB VAL A 14 -6.441 8.795 9.928 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -5.074 10.704 10.673 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -4.073 9.286 10.283 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -4.169 10.648 9.142 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -7.203 11.095 9.486 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -6.388 11.056 7.904 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -7.754 9.962 8.229 1.00 0.00 H new ATOM 199 N THR A 15 -3.361 7.361 8.599 1.00 0.00 N ATOM 200 CA THR A 15 -2.543 6.277 9.129 1.00 0.00 C ATOM 201 C THR A 15 -1.388 6.800 9.986 1.00 0.00 C ATOM 202 O THR A 15 -1.492 6.852 11.212 1.00 0.00 O ATOM 203 CB THR A 15 -2.005 5.404 7.992 1.00 0.00 C ATOM 204 OG1 THR A 15 -2.217 6.026 6.735 1.00 0.00 O ATOM 205 CG2 THR A 15 -2.644 4.031 7.945 1.00 0.00 C ATOM 0 H THR A 15 -2.834 8.142 8.208 1.00 0.00 H new ATOM 0 HA THR A 15 -3.183 5.672 9.771 1.00 0.00 H new ATOM 0 HB THR A 15 -0.940 5.286 8.194 1.00 0.00 H new ATOM 0 HG1 THR A 15 -1.499 5.771 6.119 1.00 0.00 H new ATOM 0 HG21 THR A 15 -2.221 3.461 7.118 1.00 0.00 H new ATOM 0 HG22 THR A 15 -2.452 3.508 8.882 1.00 0.00 H new ATOM 0 HG23 THR A 15 -3.719 4.135 7.801 1.00 0.00 H new ATOM 213 N CYS A 16 -0.283 7.170 9.341 1.00 0.00 N ATOM 214 CA CYS A 16 0.889 7.668 10.057 1.00 0.00 C ATOM 215 C CYS A 16 1.186 9.127 9.687 1.00 0.00 C ATOM 216 O CYS A 16 0.442 9.736 8.917 1.00 0.00 O ATOM 217 CB CYS A 16 2.091 6.751 9.771 1.00 0.00 C ATOM 218 SG CYS A 16 3.114 7.231 8.337 1.00 0.00 S ATOM 0 H CYS A 16 -0.175 7.134 8.327 1.00 0.00 H new ATOM 0 HA CYS A 16 0.688 7.652 11.128 1.00 0.00 H new ATOM 0 HB2 CYS A 16 2.726 6.725 10.657 1.00 0.00 H new ATOM 0 HB3 CYS A 16 1.724 5.737 9.612 1.00 0.00 H new ATOM 223 N PRO A 17 2.271 9.714 10.236 1.00 0.00 N ATOM 224 CA PRO A 17 2.644 11.108 9.962 1.00 0.00 C ATOM 225 C PRO A 17 2.510 11.485 8.487 1.00 0.00 C ATOM 226 O PRO A 17 2.361 10.619 7.626 1.00 0.00 O ATOM 227 CB PRO A 17 4.105 11.157 10.407 1.00 0.00 C ATOM 228 CG PRO A 17 4.169 10.188 11.534 1.00 0.00 C ATOM 229 CD PRO A 17 3.217 9.076 11.178 1.00 0.00 C ATOM 0 HA PRO A 17 1.995 11.816 10.477 1.00 0.00 H new ATOM 0 HB2 PRO A 17 4.779 10.874 9.598 1.00 0.00 H new ATOM 0 HB3 PRO A 17 4.392 12.159 10.725 1.00 0.00 H new ATOM 0 HG2 PRO A 17 5.182 9.808 11.665 1.00 0.00 H new ATOM 0 HG3 PRO A 17 3.883 10.662 12.473 1.00 0.00 H new ATOM 0 HD2 PRO A 17 3.737 8.236 10.717 1.00 0.00 H new ATOM 0 HD3 PRO A 17 2.705 8.689 12.059 1.00 0.00 H new ATOM 237 N PRO A 18 2.554 12.795 8.180 1.00 0.00 N ATOM 238 CA PRO A 18 2.427 13.304 6.810 1.00 0.00 C ATOM 239 C PRO A 18 3.364 12.606 5.828 1.00 0.00 C ATOM 240 O PRO A 18 4.060 11.654 6.179 1.00 0.00 O ATOM 241 CB PRO A 18 2.790 14.794 6.931 1.00 0.00 C ATOM 242 CG PRO A 18 3.349 14.963 8.306 1.00 0.00 C ATOM 243 CD PRO A 18 2.718 13.891 9.143 1.00 0.00 C ATOM 0 HA PRO A 18 1.426 13.128 6.415 1.00 0.00 H new ATOM 0 HB2 PRO A 18 3.519 15.082 6.174 1.00 0.00 H new ATOM 0 HB3 PRO A 18 1.913 15.424 6.785 1.00 0.00 H new ATOM 0 HG2 PRO A 18 4.435 14.865 8.301 1.00 0.00 H new ATOM 0 HG3 PRO A 18 3.120 15.953 8.702 1.00 0.00 H new ATOM 0 HD2 PRO A 18 3.353 13.604 9.981 1.00 0.00 H new ATOM 0 HD3 PRO A 18 1.763 14.211 9.561 1.00 0.00 H new ATOM 251 N GLY A 19 3.364 13.091 4.589 1.00 0.00 N ATOM 252 CA GLY A 19 4.203 12.512 3.556 1.00 0.00 C ATOM 253 C GLY A 19 3.410 12.180 2.307 1.00 0.00 C ATOM 254 O GLY A 19 2.180 12.227 2.319 1.00 0.00 O ATOM 0 H GLY A 19 2.794 13.879 4.282 1.00 0.00 H new ATOM 0 HA2 GLY A 19 5.003 13.209 3.304 1.00 0.00 H new ATOM 0 HA3 GLY A 19 4.677 11.607 3.937 1.00 0.00 H new ATOM 258 N GLU A 20 4.107 11.843 1.224 1.00 0.00 N ATOM 259 CA GLU A 20 3.446 11.504 -0.034 1.00 0.00 C ATOM 260 C GLU A 20 2.338 10.472 0.196 1.00 0.00 C ATOM 261 O GLU A 20 1.210 10.835 0.532 1.00 0.00 O ATOM 262 CB GLU A 20 4.468 10.986 -1.051 1.00 0.00 C ATOM 263 CG GLU A 20 5.194 12.091 -1.800 1.00 0.00 C ATOM 264 CD GLU A 20 5.234 11.854 -3.298 1.00 0.00 C ATOM 265 OE1 GLU A 20 5.713 10.779 -3.716 1.00 0.00 O ATOM 266 OE2 GLU A 20 4.787 12.744 -4.052 1.00 0.00 O ATOM 0 H GLU A 20 5.125 11.797 1.192 1.00 0.00 H new ATOM 0 HA GLU A 20 2.987 12.407 -0.436 1.00 0.00 H new ATOM 0 HB2 GLU A 20 5.201 10.367 -0.534 1.00 0.00 H new ATOM 0 HB3 GLU A 20 3.959 10.344 -1.770 1.00 0.00 H new ATOM 0 HG2 GLU A 20 4.703 13.043 -1.600 1.00 0.00 H new ATOM 0 HG3 GLU A 20 6.213 12.172 -1.422 1.00 0.00 H new ATOM 273 N ASN A 21 2.657 9.191 0.021 1.00 0.00 N ATOM 274 CA ASN A 21 1.677 8.132 0.220 1.00 0.00 C ATOM 275 C ASN A 21 1.681 7.636 1.668 1.00 0.00 C ATOM 276 O ASN A 21 0.853 6.804 2.030 1.00 0.00 O ATOM 277 CB ASN A 21 1.942 6.955 -0.732 1.00 0.00 C ATOM 278 CG ASN A 21 2.994 7.262 -1.784 1.00 0.00 C ATOM 279 OD1 ASN A 21 2.829 8.172 -2.597 1.00 0.00 O ATOM 280 ND2 ASN A 21 4.082 6.502 -1.770 1.00 0.00 N ATOM 0 H ASN A 21 3.583 8.865 -0.257 1.00 0.00 H new ATOM 0 HA ASN A 21 0.696 8.552 0.000 1.00 0.00 H new ATOM 0 HB2 ASN A 21 2.261 6.090 -0.150 1.00 0.00 H new ATOM 0 HB3 ASN A 21 1.011 6.680 -1.228 1.00 0.00 H new ATOM 0 HD21 ASN A 21 4.824 6.661 -2.452 1.00 0.00 H new ATOM 0 HD22 ASN A 21 4.176 5.759 -1.078 1.00 0.00 H new ATOM 287 N LEU A 22 2.621 8.153 2.485 1.00 0.00 N ATOM 288 CA LEU A 22 2.764 7.771 3.906 1.00 0.00 C ATOM 289 C LEU A 22 1.999 6.492 4.248 1.00 0.00 C ATOM 290 O LEU A 22 1.271 6.418 5.235 1.00 0.00 O ATOM 291 CB LEU A 22 2.359 8.933 4.836 1.00 0.00 C ATOM 292 CG LEU A 22 0.855 9.218 5.017 1.00 0.00 C ATOM 293 CD1 LEU A 22 0.031 8.728 3.838 1.00 0.00 C ATOM 294 CD2 LEU A 22 0.340 8.611 6.314 1.00 0.00 C ATOM 0 H LEU A 22 3.303 8.847 2.179 1.00 0.00 H new ATOM 0 HA LEU A 22 3.820 7.556 4.071 1.00 0.00 H new ATOM 0 HB2 LEU A 22 2.784 8.738 5.821 1.00 0.00 H new ATOM 0 HB3 LEU A 22 2.829 9.842 4.461 1.00 0.00 H new ATOM 0 HG LEU A 22 0.741 10.301 5.066 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -1.022 8.951 4.012 1.00 0.00 H new ATOM 0 HD12 LEU A 22 0.363 9.229 2.929 1.00 0.00 H new ATOM 0 HD13 LEU A 22 0.160 7.651 3.726 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -0.723 8.826 6.419 1.00 0.00 H new ATOM 0 HD22 LEU A 22 0.492 7.532 6.296 1.00 0.00 H new ATOM 0 HD23 LEU A 22 0.882 9.040 7.157 1.00 0.00 H new ATOM 306 N CYS A 23 2.175 5.493 3.397 1.00 0.00 N ATOM 307 CA CYS A 23 1.518 4.201 3.544 1.00 0.00 C ATOM 308 C CYS A 23 1.872 3.324 2.348 1.00 0.00 C ATOM 309 O CYS A 23 1.054 2.544 1.867 1.00 0.00 O ATOM 310 CB CYS A 23 0.003 4.386 3.623 1.00 0.00 C ATOM 311 SG CYS A 23 -0.711 4.078 5.272 1.00 0.00 S ATOM 0 H CYS A 23 2.781 5.555 2.579 1.00 0.00 H new ATOM 0 HA CYS A 23 1.858 3.724 4.463 1.00 0.00 H new ATOM 0 HB2 CYS A 23 -0.242 5.404 3.319 1.00 0.00 H new ATOM 0 HB3 CYS A 23 -0.470 3.716 2.905 1.00 0.00 H new ATOM 316 N TYR A 24 3.096 3.491 1.866 1.00 0.00 N ATOM 317 CA TYR A 24 3.600 2.757 0.709 1.00 0.00 C ATOM 318 C TYR A 24 3.086 1.325 0.658 1.00 0.00 C ATOM 319 O TYR A 24 2.704 0.746 1.675 1.00 0.00 O ATOM 320 CB TYR A 24 5.129 2.759 0.716 1.00 0.00 C ATOM 321 CG TYR A 24 5.737 2.008 1.881 1.00 0.00 C ATOM 322 CD1 TYR A 24 5.657 0.623 1.959 1.00 0.00 C ATOM 323 CD2 TYR A 24 6.398 2.684 2.902 1.00 0.00 C ATOM 324 CE1 TYR A 24 6.211 -0.067 3.019 1.00 0.00 C ATOM 325 CE2 TYR A 24 6.955 2.000 3.965 1.00 0.00 C ATOM 326 CZ TYR A 24 6.861 0.626 4.019 1.00 0.00 C ATOM 327 OH TYR A 24 7.417 -0.059 5.077 1.00 0.00 O ATOM 0 H TYR A 24 3.772 4.142 2.267 1.00 0.00 H new ATOM 0 HA TYR A 24 3.230 3.266 -0.181 1.00 0.00 H new ATOM 0 HB2 TYR A 24 5.488 2.319 -0.214 1.00 0.00 H new ATOM 0 HB3 TYR A 24 5.481 3.790 0.737 1.00 0.00 H new ATOM 0 HD1 TYR A 24 5.152 0.076 1.176 1.00 0.00 H new ATOM 0 HD2 TYR A 24 6.477 3.760 2.863 1.00 0.00 H new ATOM 0 HE1 TYR A 24 6.136 -1.143 3.065 1.00 0.00 H new ATOM 0 HE2 TYR A 24 7.462 2.540 4.751 1.00 0.00 H new ATOM 0 HH TYR A 24 7.838 0.576 5.693 1.00 0.00 H new ATOM 337 N ARG A 25 3.089 0.761 -0.543 1.00 0.00 N ATOM 338 CA ARG A 25 2.632 -0.602 -0.749 1.00 0.00 C ATOM 339 C ARG A 25 3.814 -1.517 -1.012 1.00 0.00 C ATOM 340 O ARG A 25 4.391 -1.518 -2.099 1.00 0.00 O ATOM 341 CB ARG A 25 1.651 -0.660 -1.914 1.00 0.00 C ATOM 342 CG ARG A 25 0.439 0.230 -1.711 1.00 0.00 C ATOM 343 CD ARG A 25 -0.796 -0.566 -1.302 1.00 0.00 C ATOM 344 NE ARG A 25 -0.476 -1.754 -0.512 1.00 0.00 N ATOM 345 CZ ARG A 25 -1.387 -2.631 -0.093 1.00 0.00 C ATOM 346 NH1 ARG A 25 -2.671 -2.447 -0.372 1.00 0.00 N ATOM 347 NH2 ARG A 25 -1.013 -3.689 0.611 1.00 0.00 N ATOM 0 H ARG A 25 3.405 1.231 -1.391 1.00 0.00 H new ATOM 0 HA ARG A 25 2.122 -0.939 0.153 1.00 0.00 H new ATOM 0 HB2 ARG A 25 2.164 -0.364 -2.829 1.00 0.00 H new ATOM 0 HB3 ARG A 25 1.320 -1.689 -2.053 1.00 0.00 H new ATOM 0 HG2 ARG A 25 0.660 0.974 -0.945 1.00 0.00 H new ATOM 0 HG3 ARG A 25 0.231 0.773 -2.633 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -1.462 0.077 -0.727 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -1.340 -0.868 -2.197 1.00 0.00 H new ATOM 0 HE ARG A 25 0.500 -1.921 -0.268 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -2.964 -1.631 -0.910 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -3.365 -3.121 -0.049 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -0.028 -3.832 0.832 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -1.710 -4.361 0.932 1.00 0.00 H new ATOM 361 N LYS A 26 4.173 -2.286 -0.001 1.00 0.00 N ATOM 362 CA LYS A 26 5.299 -3.204 -0.102 1.00 0.00 C ATOM 363 C LYS A 26 4.831 -4.654 -0.101 1.00 0.00 C ATOM 364 O LYS A 26 3.703 -4.952 0.292 1.00 0.00 O ATOM 365 CB LYS A 26 6.281 -2.958 1.048 1.00 0.00 C ATOM 366 CG LYS A 26 7.450 -3.929 1.073 1.00 0.00 C ATOM 367 CD LYS A 26 8.403 -3.625 2.217 1.00 0.00 C ATOM 368 CE LYS A 26 8.072 -4.451 3.450 1.00 0.00 C ATOM 369 NZ LYS A 26 8.601 -3.828 4.695 1.00 0.00 N ATOM 0 H LYS A 26 3.701 -2.295 0.903 1.00 0.00 H new ATOM 0 HA LYS A 26 5.806 -3.019 -1.049 1.00 0.00 H new ATOM 0 HB2 LYS A 26 6.667 -1.941 0.973 1.00 0.00 H new ATOM 0 HB3 LYS A 26 5.743 -3.026 1.994 1.00 0.00 H new ATOM 0 HG2 LYS A 26 7.076 -4.948 1.171 1.00 0.00 H new ATOM 0 HG3 LYS A 26 7.988 -3.877 0.126 1.00 0.00 H new ATOM 0 HD2 LYS A 26 9.427 -3.830 1.904 1.00 0.00 H new ATOM 0 HD3 LYS A 26 8.352 -2.564 2.463 1.00 0.00 H new ATOM 0 HE2 LYS A 26 6.991 -4.564 3.532 1.00 0.00 H new ATOM 0 HE3 LYS A 26 8.490 -5.452 3.339 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 8.354 -4.422 5.512 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 9.635 -3.743 4.628 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 8.183 -2.883 4.815 1.00 0.00 H new ATOM 383 N MET A 27 5.699 -5.554 -0.552 1.00 0.00 N ATOM 384 CA MET A 27 5.362 -6.972 -0.601 1.00 0.00 C ATOM 385 C MET A 27 6.450 -7.817 0.064 1.00 0.00 C ATOM 386 O MET A 27 7.118 -7.356 0.989 1.00 0.00 O ATOM 387 CB MET A 27 5.152 -7.408 -2.056 1.00 0.00 C ATOM 388 CG MET A 27 3.976 -6.724 -2.723 1.00 0.00 C ATOM 389 SD MET A 27 3.732 -7.267 -4.425 1.00 0.00 S ATOM 390 CE MET A 27 5.255 -6.710 -5.182 1.00 0.00 C ATOM 0 H MET A 27 6.636 -5.328 -0.887 1.00 0.00 H new ATOM 0 HA MET A 27 4.436 -7.128 -0.048 1.00 0.00 H new ATOM 0 HB2 MET A 27 6.057 -7.197 -2.626 1.00 0.00 H new ATOM 0 HB3 MET A 27 5.001 -8.487 -2.086 1.00 0.00 H new ATOM 0 HG2 MET A 27 3.071 -6.923 -2.149 1.00 0.00 H new ATOM 0 HG3 MET A 27 4.132 -5.645 -2.708 1.00 0.00 H new ATOM 0 HE1 MET A 27 5.127 -6.660 -6.263 1.00 0.00 H new ATOM 0 HE2 MET A 27 5.510 -5.721 -4.801 1.00 0.00 H new ATOM 0 HE3 MET A 27 6.057 -7.409 -4.944 1.00 0.00 H new ATOM 400 N TRP A 28 6.613 -9.056 -0.406 1.00 0.00 N ATOM 401 CA TRP A 28 7.609 -9.979 0.143 1.00 0.00 C ATOM 402 C TRP A 28 7.034 -10.735 1.337 1.00 0.00 C ATOM 403 O TRP A 28 5.827 -10.694 1.584 1.00 0.00 O ATOM 404 CB TRP A 28 8.888 -9.236 0.550 1.00 0.00 C ATOM 405 CG TRP A 28 10.138 -10.036 0.340 1.00 0.00 C ATOM 406 CD1 TRP A 28 10.530 -10.660 -0.809 1.00 0.00 C ATOM 407 CD2 TRP A 28 11.160 -10.299 1.309 1.00 0.00 C ATOM 408 NE1 TRP A 28 11.733 -11.295 -0.614 1.00 0.00 N ATOM 409 CE2 TRP A 28 12.140 -11.088 0.678 1.00 0.00 C ATOM 410 CE3 TRP A 28 11.341 -9.943 2.648 1.00 0.00 C ATOM 411 CZ2 TRP A 28 13.283 -11.526 1.341 1.00 0.00 C ATOM 412 CZ3 TRP A 28 12.476 -10.378 3.305 1.00 0.00 C ATOM 413 CH2 TRP A 28 13.435 -11.162 2.652 1.00 0.00 C ATOM 0 H TRP A 28 6.063 -9.445 -1.172 1.00 0.00 H new ATOM 0 HA TRP A 28 7.867 -10.696 -0.636 1.00 0.00 H new ATOM 0 HB2 TRP A 28 8.958 -8.311 -0.022 1.00 0.00 H new ATOM 0 HB3 TRP A 28 8.817 -8.957 1.601 1.00 0.00 H new ATOM 0 HD1 TRP A 28 9.976 -10.655 -1.736 1.00 0.00 H new ATOM 0 HE1 TRP A 28 12.240 -11.833 -1.317 1.00 0.00 H new ATOM 0 HE3 TRP A 28 10.607 -9.339 3.160 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 14.023 -12.131 0.839 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 12.626 -10.109 4.340 1.00 0.00 H new ATOM 0 HH2 TRP A 28 14.312 -11.486 3.193 1.00 0.00 H new ATOM 424 N CYS A 29 7.895 -11.432 2.071 1.00 0.00 N ATOM 425 CA CYS A 29 7.457 -12.203 3.230 1.00 0.00 C ATOM 426 C CYS A 29 8.157 -11.738 4.507 1.00 0.00 C ATOM 427 O CYS A 29 9.257 -12.192 4.825 1.00 0.00 O ATOM 428 CB CYS A 29 7.718 -13.693 2.995 1.00 0.00 C ATOM 429 SG CYS A 29 6.312 -14.580 2.241 1.00 0.00 S ATOM 0 H CYS A 29 8.897 -11.479 1.885 1.00 0.00 H new ATOM 0 HA CYS A 29 6.387 -12.041 3.360 1.00 0.00 H new ATOM 0 HB2 CYS A 29 8.591 -13.802 2.351 1.00 0.00 H new ATOM 0 HB3 CYS A 29 7.963 -14.164 3.947 1.00 0.00 H new ATOM 434 N ASP A 30 7.505 -10.835 5.238 1.00 0.00 N ATOM 435 CA ASP A 30 8.055 -10.311 6.486 1.00 0.00 C ATOM 436 C ASP A 30 8.207 -11.429 7.513 1.00 0.00 C ATOM 437 O ASP A 30 7.354 -12.311 7.607 1.00 0.00 O ATOM 438 CB ASP A 30 7.151 -9.209 7.041 1.00 0.00 C ATOM 439 CG ASP A 30 7.941 -8.020 7.551 1.00 0.00 C ATOM 440 OD1 ASP A 30 9.102 -8.213 7.967 1.00 0.00 O ATOM 441 OD2 ASP A 30 7.397 -6.896 7.532 1.00 0.00 O ATOM 0 H ASP A 30 6.594 -10.451 4.987 1.00 0.00 H new ATOM 0 HA ASP A 30 9.039 -9.890 6.280 1.00 0.00 H new ATOM 0 HB2 ASP A 30 6.464 -8.879 6.262 1.00 0.00 H new ATOM 0 HB3 ASP A 30 6.544 -9.614 7.851 1.00 0.00 H new ATOM 446 N ALA A 31 9.300 -11.395 8.273 1.00 0.00 N ATOM 447 CA ALA A 31 9.560 -12.419 9.281 1.00 0.00 C ATOM 448 C ALA A 31 9.588 -13.802 8.633 1.00 0.00 C ATOM 449 O ALA A 31 10.648 -14.293 8.247 1.00 0.00 O ATOM 450 CB ALA A 31 8.512 -12.357 10.385 1.00 0.00 C ATOM 0 H ALA A 31 10.017 -10.672 8.210 1.00 0.00 H new ATOM 0 HA ALA A 31 10.535 -12.231 9.730 1.00 0.00 H new ATOM 0 HB1 ALA A 31 8.720 -13.127 11.128 1.00 0.00 H new ATOM 0 HB2 ALA A 31 8.542 -11.376 10.860 1.00 0.00 H new ATOM 0 HB3 ALA A 31 7.523 -12.523 9.958 1.00 0.00 H new ATOM 456 N PHE A 32 8.415 -14.410 8.487 1.00 0.00 N ATOM 457 CA PHE A 32 8.307 -15.716 7.852 1.00 0.00 C ATOM 458 C PHE A 32 7.534 -15.583 6.544 1.00 0.00 C ATOM 459 O PHE A 32 7.964 -16.083 5.506 1.00 0.00 O ATOM 460 CB PHE A 32 7.639 -16.728 8.793 1.00 0.00 C ATOM 461 CG PHE A 32 6.139 -16.639 8.838 1.00 0.00 C ATOM 462 CD1 PHE A 32 5.508 -15.789 9.731 1.00 0.00 C ATOM 463 CD2 PHE A 32 5.362 -17.414 7.993 1.00 0.00 C ATOM 464 CE1 PHE A 32 4.130 -15.711 9.778 1.00 0.00 C ATOM 465 CE2 PHE A 32 3.983 -17.342 8.036 1.00 0.00 C ATOM 466 CZ PHE A 32 3.366 -16.488 8.930 1.00 0.00 C ATOM 0 H PHE A 32 7.527 -14.018 8.800 1.00 0.00 H new ATOM 0 HA PHE A 32 9.307 -16.090 7.631 1.00 0.00 H new ATOM 0 HB2 PHE A 32 7.922 -17.734 8.484 1.00 0.00 H new ATOM 0 HB3 PHE A 32 8.030 -16.582 9.800 1.00 0.00 H new ATOM 0 HD1 PHE A 32 6.100 -15.180 10.398 1.00 0.00 H new ATOM 0 HD2 PHE A 32 5.840 -18.083 7.292 1.00 0.00 H new ATOM 0 HE1 PHE A 32 3.650 -15.043 10.478 1.00 0.00 H new ATOM 0 HE2 PHE A 32 3.388 -17.952 7.372 1.00 0.00 H new ATOM 0 HZ PHE A 32 2.288 -16.428 8.965 1.00 0.00 H new ATOM 476 N CYS A 33 6.402 -14.879 6.602 1.00 0.00 N ATOM 477 CA CYS A 33 5.573 -14.644 5.425 1.00 0.00 C ATOM 478 C CYS A 33 4.308 -13.878 5.798 1.00 0.00 C ATOM 479 O CYS A 33 4.239 -12.661 5.624 1.00 0.00 O ATOM 480 CB CYS A 33 5.214 -15.964 4.733 1.00 0.00 C ATOM 481 SG CYS A 33 6.225 -16.337 3.259 1.00 0.00 S ATOM 0 H CYS A 33 6.039 -14.461 7.459 1.00 0.00 H new ATOM 0 HA CYS A 33 6.150 -14.038 4.726 1.00 0.00 H new ATOM 0 HB2 CYS A 33 5.323 -16.778 5.450 1.00 0.00 H new ATOM 0 HB3 CYS A 33 4.164 -15.934 4.441 1.00 0.00 H new ATOM 486 N SER A 34 3.311 -14.596 6.307 1.00 0.00 N ATOM 487 CA SER A 34 2.039 -13.987 6.702 1.00 0.00 C ATOM 488 C SER A 34 1.581 -12.956 5.672 1.00 0.00 C ATOM 489 O SER A 34 0.933 -11.968 6.013 1.00 0.00 O ATOM 490 CB SER A 34 2.167 -13.323 8.074 1.00 0.00 C ATOM 491 OG SER A 34 2.832 -12.076 7.977 1.00 0.00 O ATOM 0 H SER A 34 3.357 -15.604 6.457 1.00 0.00 H new ATOM 0 HA SER A 34 1.293 -14.780 6.756 1.00 0.00 H new ATOM 0 HB2 SER A 34 1.176 -13.178 8.505 1.00 0.00 H new ATOM 0 HB3 SER A 34 2.715 -13.980 8.749 1.00 0.00 H new ATOM 0 HG SER A 34 3.381 -12.060 7.165 1.00 0.00 H new ATOM 497 N SER A 35 1.936 -13.193 4.414 1.00 0.00 N ATOM 498 CA SER A 35 1.578 -12.287 3.331 1.00 0.00 C ATOM 499 C SER A 35 0.221 -12.650 2.734 1.00 0.00 C ATOM 500 O SER A 35 0.126 -13.048 1.572 1.00 0.00 O ATOM 501 CB SER A 35 2.661 -12.316 2.250 1.00 0.00 C ATOM 502 OG SER A 35 2.194 -11.747 1.039 1.00 0.00 O ATOM 0 H SER A 35 2.473 -14.008 4.119 1.00 0.00 H new ATOM 0 HA SER A 35 1.504 -11.278 3.737 1.00 0.00 H new ATOM 0 HB2 SER A 35 3.538 -11.770 2.596 1.00 0.00 H new ATOM 0 HB3 SER A 35 2.975 -13.345 2.074 1.00 0.00 H new ATOM 0 HG SER A 35 1.434 -12.267 0.705 1.00 0.00 H new ATOM 508 N ARG A 36 -0.827 -12.514 3.540 1.00 0.00 N ATOM 509 CA ARG A 36 -2.180 -12.827 3.103 1.00 0.00 C ATOM 510 C ARG A 36 -2.742 -11.726 2.205 1.00 0.00 C ATOM 511 O ARG A 36 -3.460 -10.840 2.667 1.00 0.00 O ATOM 512 CB ARG A 36 -3.099 -13.037 4.312 1.00 0.00 C ATOM 513 CG ARG A 36 -2.738 -12.209 5.542 1.00 0.00 C ATOM 514 CD ARG A 36 -2.560 -10.735 5.206 1.00 0.00 C ATOM 515 NE ARG A 36 -1.857 -10.013 6.265 1.00 0.00 N ATOM 516 CZ ARG A 36 -0.609 -9.559 6.158 1.00 0.00 C ATOM 517 NH1 ARG A 36 0.089 -9.747 5.044 1.00 0.00 N ATOM 518 NH2 ARG A 36 -0.055 -8.912 7.173 1.00 0.00 N ATOM 0 H ARG A 36 -0.763 -12.187 4.504 1.00 0.00 H new ATOM 0 HA ARG A 36 -2.136 -13.750 2.524 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -4.122 -12.799 4.019 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -3.082 -14.092 4.584 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -3.520 -12.317 6.294 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -1.818 -12.594 5.981 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -2.005 -10.640 4.273 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -3.537 -10.280 5.044 1.00 0.00 H new ATOM 0 HE ARG A 36 -2.353 -9.846 7.141 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -0.330 -10.244 4.258 1.00 0.00 H new ATOM 0 HH12 ARG A 36 1.044 -9.394 4.975 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -0.584 -8.763 8.032 1.00 0.00 H new ATOM 0 HH22 ARG A 36 0.900 -8.563 7.095 1.00 0.00 H new ATOM 532 N GLY A 37 -2.420 -11.794 0.917 1.00 0.00 N ATOM 533 CA GLY A 37 -2.912 -10.798 -0.019 1.00 0.00 C ATOM 534 C GLY A 37 -1.848 -10.295 -0.980 1.00 0.00 C ATOM 535 O GLY A 37 -2.085 -9.345 -1.725 1.00 0.00 O ATOM 0 H GLY A 37 -1.830 -12.517 0.506 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -3.736 -11.224 -0.592 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -3.315 -9.953 0.539 1.00 0.00 H new ATOM 539 N LYS A 38 -0.677 -10.929 -0.971 1.00 0.00 N ATOM 540 CA LYS A 38 0.416 -10.530 -1.854 1.00 0.00 C ATOM 541 C LYS A 38 0.954 -9.153 -1.476 1.00 0.00 C ATOM 542 O LYS A 38 1.455 -8.418 -2.326 1.00 0.00 O ATOM 543 CB LYS A 38 -0.047 -10.528 -3.314 1.00 0.00 C ATOM 544 CG LYS A 38 -0.912 -11.725 -3.682 1.00 0.00 C ATOM 545 CD LYS A 38 -0.340 -12.490 -4.866 1.00 0.00 C ATOM 546 CE LYS A 38 -1.094 -12.176 -6.150 1.00 0.00 C ATOM 547 NZ LYS A 38 -1.052 -10.725 -6.483 1.00 0.00 N ATOM 0 H LYS A 38 -0.461 -11.719 -0.363 1.00 0.00 H new ATOM 0 HA LYS A 38 1.220 -11.256 -1.738 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -0.607 -9.613 -3.507 1.00 0.00 H new ATOM 0 HB3 LYS A 38 0.828 -10.510 -3.964 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -0.995 -12.392 -2.824 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -1.920 -11.386 -3.921 1.00 0.00 H new ATOM 0 HD2 LYS A 38 0.713 -12.237 -4.990 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -0.389 -13.561 -4.667 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -0.664 -12.749 -6.972 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -2.131 -12.494 -6.048 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -0.891 -10.608 -7.504 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -1.956 -10.283 -6.222 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -0.279 -10.270 -5.956 1.00 0.00 H new ATOM 561 N VAL A 39 0.851 -8.813 -0.194 1.00 0.00 N ATOM 562 CA VAL A 39 1.331 -7.528 0.304 1.00 0.00 C ATOM 563 C VAL A 39 1.701 -7.625 1.782 1.00 0.00 C ATOM 564 O VAL A 39 1.019 -8.298 2.555 1.00 0.00 O ATOM 565 CB VAL A 39 0.284 -6.409 0.116 1.00 0.00 C ATOM 566 CG1 VAL A 39 0.433 -5.756 -1.251 1.00 0.00 C ATOM 567 CG2 VAL A 39 -1.128 -6.946 0.305 1.00 0.00 C ATOM 0 H VAL A 39 0.438 -9.412 0.521 1.00 0.00 H new ATOM 0 HA VAL A 39 2.216 -7.274 -0.280 1.00 0.00 H new ATOM 0 HB VAL A 39 0.461 -5.651 0.879 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -0.314 -4.970 -1.362 1.00 0.00 H new ATOM 0 HG12 VAL A 39 1.430 -5.324 -1.341 1.00 0.00 H new ATOM 0 HG13 VAL A 39 0.291 -6.505 -2.030 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -1.846 -6.138 0.167 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -1.320 -7.731 -0.427 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -1.230 -7.355 1.310 1.00 0.00 H new ATOM 577 N VAL A 40 2.791 -6.966 2.170 1.00 0.00 N ATOM 578 CA VAL A 40 3.243 -7.006 3.558 1.00 0.00 C ATOM 579 C VAL A 40 2.185 -6.462 4.519 1.00 0.00 C ATOM 580 O VAL A 40 1.599 -7.218 5.295 1.00 0.00 O ATOM 581 CB VAL A 40 4.565 -6.234 3.773 1.00 0.00 C ATOM 582 CG1 VAL A 40 5.757 -7.112 3.428 1.00 0.00 C ATOM 583 CG2 VAL A 40 4.592 -4.942 2.967 1.00 0.00 C ATOM 0 H VAL A 40 3.372 -6.403 1.549 1.00 0.00 H new ATOM 0 HA VAL A 40 3.418 -8.060 3.777 1.00 0.00 H new ATOM 0 HB VAL A 40 4.628 -5.965 4.827 1.00 0.00 H new ATOM 0 HG11 VAL A 40 6.679 -6.552 3.585 1.00 0.00 H new ATOM 0 HG12 VAL A 40 5.755 -7.995 4.067 1.00 0.00 H new ATOM 0 HG13 VAL A 40 5.693 -7.419 2.384 1.00 0.00 H new ATOM 0 HG21 VAL A 40 5.535 -4.424 3.141 1.00 0.00 H new ATOM 0 HG22 VAL A 40 4.495 -5.173 1.906 1.00 0.00 H new ATOM 0 HG23 VAL A 40 3.765 -4.303 3.276 1.00 0.00 H new ATOM 593 N GLU A 41 1.943 -5.153 4.470 1.00 0.00 N ATOM 594 CA GLU A 41 0.957 -4.522 5.343 1.00 0.00 C ATOM 595 C GLU A 41 0.835 -3.028 5.047 1.00 0.00 C ATOM 596 O GLU A 41 -0.145 -2.586 4.448 1.00 0.00 O ATOM 597 CB GLU A 41 1.330 -4.739 6.813 1.00 0.00 C ATOM 598 CG GLU A 41 0.342 -5.614 7.566 1.00 0.00 C ATOM 599 CD GLU A 41 -1.084 -5.112 7.449 1.00 0.00 C ATOM 600 OE1 GLU A 41 -1.377 -4.027 7.994 1.00 0.00 O ATOM 601 OE2 GLU A 41 -1.905 -5.803 6.812 1.00 0.00 O ATOM 0 H GLU A 41 2.416 -4.510 3.835 1.00 0.00 H new ATOM 0 HA GLU A 41 -0.009 -4.988 5.149 1.00 0.00 H new ATOM 0 HB2 GLU A 41 2.319 -5.194 6.865 1.00 0.00 H new ATOM 0 HB3 GLU A 41 1.398 -3.771 7.309 1.00 0.00 H new ATOM 0 HG2 GLU A 41 0.398 -6.633 7.182 1.00 0.00 H new ATOM 0 HG3 GLU A 41 0.625 -5.654 8.618 1.00 0.00 H new ATOM 608 N LEU A 42 1.835 -2.254 5.470 1.00 0.00 N ATOM 609 CA LEU A 42 1.837 -0.806 5.249 1.00 0.00 C ATOM 610 C LEU A 42 2.956 -0.131 6.037 1.00 0.00 C ATOM 611 O LEU A 42 3.657 -0.776 6.817 1.00 0.00 O ATOM 612 CB LEU A 42 0.488 -0.196 5.645 1.00 0.00 C ATOM 613 CG LEU A 42 -0.150 -0.793 6.903 1.00 0.00 C ATOM 614 CD1 LEU A 42 -0.279 0.260 7.994 1.00 0.00 C ATOM 615 CD2 LEU A 42 -1.510 -1.394 6.580 1.00 0.00 C ATOM 0 H LEU A 42 2.654 -2.604 5.967 1.00 0.00 H new ATOM 0 HA LEU A 42 2.007 -0.636 4.186 1.00 0.00 H new ATOM 0 HB2 LEU A 42 0.622 0.875 5.797 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -0.206 -0.315 4.813 1.00 0.00 H new ATOM 0 HG LEU A 42 0.500 -1.587 7.269 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -0.735 -0.186 8.878 1.00 0.00 H new ATOM 0 HD12 LEU A 42 0.709 0.643 8.249 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -0.904 1.079 7.638 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -1.947 -1.813 7.486 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -2.166 -0.618 6.186 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -1.392 -2.182 5.836 1.00 0.00 H new ATOM 627 N GLY A 43 3.116 1.172 5.824 1.00 0.00 N ATOM 628 CA GLY A 43 4.148 1.922 6.515 1.00 0.00 C ATOM 629 C GLY A 43 4.050 3.415 6.256 1.00 0.00 C ATOM 630 O GLY A 43 2.988 4.012 6.427 1.00 0.00 O ATOM 0 H GLY A 43 2.546 1.723 5.182 1.00 0.00 H new ATOM 0 HA2 GLY A 43 4.073 1.736 7.586 1.00 0.00 H new ATOM 0 HA3 GLY A 43 5.128 1.564 6.198 1.00 0.00 H new ATOM 634 N CYS A 44 5.161 4.017 5.840 1.00 0.00 N ATOM 635 CA CYS A 44 5.197 5.448 5.553 1.00 0.00 C ATOM 636 C CYS A 44 6.203 5.759 4.451 1.00 0.00 C ATOM 637 O CYS A 44 7.398 5.910 4.706 1.00 0.00 O ATOM 638 CB CYS A 44 5.548 6.241 6.810 1.00 0.00 C ATOM 639 SG CYS A 44 4.555 5.800 8.275 1.00 0.00 S ATOM 0 H CYS A 44 6.048 3.536 5.694 1.00 0.00 H new ATOM 0 HA CYS A 44 4.204 5.743 5.213 1.00 0.00 H new ATOM 0 HB2 CYS A 44 6.602 6.087 7.040 1.00 0.00 H new ATOM 0 HB3 CYS A 44 5.418 7.303 6.604 1.00 0.00 H new ATOM 644 N ALA A 45 5.708 5.845 3.225 1.00 0.00 N ATOM 645 CA ALA A 45 6.550 6.129 2.069 1.00 0.00 C ATOM 646 C ALA A 45 7.272 7.466 2.202 1.00 0.00 C ATOM 647 O ALA A 45 8.489 7.509 2.379 1.00 0.00 O ATOM 648 CB ALA A 45 5.718 6.115 0.797 1.00 0.00 C ATOM 0 H ALA A 45 4.720 5.721 3.003 1.00 0.00 H new ATOM 0 HA ALA A 45 7.308 5.347 2.019 1.00 0.00 H new ATOM 0 HB1 ALA A 45 6.358 6.328 -0.059 1.00 0.00 H new ATOM 0 HB2 ALA A 45 5.261 5.134 0.672 1.00 0.00 H new ATOM 0 HB3 ALA A 45 4.938 6.873 0.864 1.00 0.00 H new ATOM 654 N ALA A 46 6.517 8.557 2.090 1.00 0.00 N ATOM 655 CA ALA A 46 7.093 9.897 2.171 1.00 0.00 C ATOM 656 C ALA A 46 7.906 10.209 0.934 1.00 0.00 C ATOM 657 O ALA A 46 8.645 11.193 0.903 1.00 0.00 O ATOM 658 CB ALA A 46 7.944 10.050 3.425 1.00 0.00 C ATOM 0 H ALA A 46 5.508 8.539 1.943 1.00 0.00 H new ATOM 0 HA ALA A 46 6.272 10.611 2.229 1.00 0.00 H new ATOM 0 HB1 ALA A 46 8.361 11.056 3.461 1.00 0.00 H new ATOM 0 HB2 ALA A 46 7.326 9.881 4.307 1.00 0.00 H new ATOM 0 HB3 ALA A 46 8.755 9.322 3.406 1.00 0.00 H new ATOM 664 N THR A 47 7.765 9.367 -0.088 1.00 0.00 N ATOM 665 CA THR A 47 8.494 9.545 -1.331 1.00 0.00 C ATOM 666 C THR A 47 8.294 8.332 -2.241 1.00 0.00 C ATOM 667 O THR A 47 7.338 7.576 -2.070 1.00 0.00 O ATOM 668 CB THR A 47 9.973 9.771 -1.010 1.00 0.00 C ATOM 669 OG1 THR A 47 10.580 10.606 -1.981 1.00 0.00 O ATOM 670 CG2 THR A 47 10.791 8.498 -0.916 1.00 0.00 C ATOM 0 H THR A 47 7.149 8.554 -0.074 1.00 0.00 H new ATOM 0 HA THR A 47 8.115 10.416 -1.865 1.00 0.00 H new ATOM 0 HB THR A 47 9.971 10.241 -0.027 1.00 0.00 H new ATOM 0 HG1 THR A 47 11.524 10.738 -1.755 1.00 0.00 H new ATOM 0 HG21 THR A 47 11.827 8.747 -0.686 1.00 0.00 H new ATOM 0 HG22 THR A 47 10.387 7.863 -0.128 1.00 0.00 H new ATOM 0 HG23 THR A 47 10.748 7.967 -1.867 1.00 0.00 H new ATOM 678 N CYS A 48 9.190 8.144 -3.203 1.00 0.00 N ATOM 679 CA CYS A 48 9.084 7.013 -4.118 1.00 0.00 C ATOM 680 C CYS A 48 10.254 6.049 -3.944 1.00 0.00 C ATOM 681 O CYS A 48 11.175 6.020 -4.761 1.00 0.00 O ATOM 682 CB CYS A 48 9.014 7.498 -5.567 1.00 0.00 C ATOM 683 SG CYS A 48 7.522 8.467 -5.958 1.00 0.00 S ATOM 0 H CYS A 48 9.991 8.753 -3.369 1.00 0.00 H new ATOM 0 HA CYS A 48 8.164 6.479 -3.879 1.00 0.00 H new ATOM 0 HB2 CYS A 48 9.894 8.106 -5.778 1.00 0.00 H new ATOM 0 HB3 CYS A 48 9.057 6.634 -6.230 1.00 0.00 H new ATOM 688 N PRO A 49 10.228 5.237 -2.874 1.00 0.00 N ATOM 689 CA PRO A 49 11.280 4.262 -2.593 1.00 0.00 C ATOM 690 C PRO A 49 11.106 2.982 -3.404 1.00 0.00 C ATOM 691 O PRO A 49 10.219 2.890 -4.252 1.00 0.00 O ATOM 692 CB PRO A 49 11.090 3.981 -1.105 1.00 0.00 C ATOM 693 CG PRO A 49 9.626 4.145 -0.881 1.00 0.00 C ATOM 694 CD PRO A 49 9.163 5.204 -1.852 1.00 0.00 C ATOM 0 HA PRO A 49 12.272 4.631 -2.853 1.00 0.00 H new ATOM 0 HB2 PRO A 49 11.422 2.976 -0.845 1.00 0.00 H new ATOM 0 HB3 PRO A 49 11.666 4.675 -0.493 1.00 0.00 H new ATOM 0 HG2 PRO A 49 9.099 3.206 -1.050 1.00 0.00 H new ATOM 0 HG3 PRO A 49 9.421 4.444 0.147 1.00 0.00 H new ATOM 0 HD2 PRO A 49 8.197 4.951 -2.289 1.00 0.00 H new ATOM 0 HD3 PRO A 49 9.048 6.171 -1.363 1.00 0.00 H new ATOM 702 N SER A 50 11.955 1.996 -3.134 1.00 0.00 N ATOM 703 CA SER A 50 11.895 0.717 -3.836 1.00 0.00 C ATOM 704 C SER A 50 13.034 -0.193 -3.394 1.00 0.00 C ATOM 705 O SER A 50 14.118 0.279 -3.052 1.00 0.00 O ATOM 706 CB SER A 50 11.960 0.933 -5.351 1.00 0.00 C ATOM 707 OG SER A 50 13.049 1.769 -5.701 1.00 0.00 O ATOM 0 H SER A 50 12.694 2.057 -2.433 1.00 0.00 H new ATOM 0 HA SER A 50 10.948 0.239 -3.587 1.00 0.00 H new ATOM 0 HB2 SER A 50 12.059 -0.029 -5.855 1.00 0.00 H new ATOM 0 HB3 SER A 50 11.028 1.380 -5.698 1.00 0.00 H new ATOM 0 HG SER A 50 13.069 1.890 -6.673 1.00 0.00 H new ATOM 713 N LYS A 51 12.786 -1.499 -3.402 1.00 0.00 N ATOM 714 CA LYS A 51 13.801 -2.466 -2.999 1.00 0.00 C ATOM 715 C LYS A 51 15.037 -2.351 -3.883 1.00 0.00 C ATOM 716 O LYS A 51 16.091 -1.904 -3.431 1.00 0.00 O ATOM 717 CB LYS A 51 13.249 -3.890 -3.069 1.00 0.00 C ATOM 718 CG LYS A 51 13.738 -4.789 -1.940 1.00 0.00 C ATOM 719 CD LYS A 51 13.448 -4.188 -0.572 1.00 0.00 C ATOM 720 CE LYS A 51 14.694 -4.153 0.304 1.00 0.00 C ATOM 721 NZ LYS A 51 15.889 -3.658 -0.436 1.00 0.00 N ATOM 0 H LYS A 51 11.896 -1.911 -3.682 1.00 0.00 H new ATOM 0 HA LYS A 51 14.082 -2.246 -1.969 1.00 0.00 H new ATOM 0 HB2 LYS A 51 12.160 -3.850 -3.045 1.00 0.00 H new ATOM 0 HB3 LYS A 51 13.531 -4.334 -4.024 1.00 0.00 H new ATOM 0 HG2 LYS A 51 13.257 -5.764 -2.018 1.00 0.00 H new ATOM 0 HG3 LYS A 51 14.810 -4.953 -2.045 1.00 0.00 H new ATOM 0 HD2 LYS A 51 13.060 -3.177 -0.694 1.00 0.00 H new ATOM 0 HD3 LYS A 51 12.671 -4.770 -0.076 1.00 0.00 H new ATOM 0 HE2 LYS A 51 14.512 -3.512 1.167 1.00 0.00 H new ATOM 0 HE3 LYS A 51 14.895 -5.153 0.687 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 16.571 -3.253 0.237 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 16.333 -4.448 -0.946 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 15.598 -2.927 -1.116 1.00 0.00 H new ATOM 735 N LYS A 52 14.884 -2.767 -5.148 1.00 0.00 N ATOM 736 CA LYS A 52 15.955 -2.740 -6.156 1.00 0.00 C ATOM 737 C LYS A 52 16.322 -4.159 -6.603 1.00 0.00 C ATOM 738 O LYS A 52 16.387 -4.436 -7.800 1.00 0.00 O ATOM 739 CB LYS A 52 17.208 -2.001 -5.665 1.00 0.00 C ATOM 740 CG LYS A 52 18.220 -1.727 -6.765 1.00 0.00 C ATOM 741 CD LYS A 52 17.971 -0.382 -7.429 1.00 0.00 C ATOM 742 CE LYS A 52 18.746 0.735 -6.747 1.00 0.00 C ATOM 743 NZ LYS A 52 17.841 1.765 -6.164 1.00 0.00 N ATOM 0 H LYS A 52 14.003 -3.136 -5.505 1.00 0.00 H new ATOM 0 HA LYS A 52 15.563 -2.186 -7.009 1.00 0.00 H new ATOM 0 HB2 LYS A 52 16.909 -1.055 -5.214 1.00 0.00 H new ATOM 0 HB3 LYS A 52 17.685 -2.591 -4.882 1.00 0.00 H new ATOM 0 HG2 LYS A 52 19.227 -1.747 -6.348 1.00 0.00 H new ATOM 0 HG3 LYS A 52 18.169 -2.518 -7.513 1.00 0.00 H new ATOM 0 HD2 LYS A 52 18.259 -0.436 -8.479 1.00 0.00 H new ATOM 0 HD3 LYS A 52 16.905 -0.155 -7.402 1.00 0.00 H new ATOM 0 HE2 LYS A 52 19.372 0.314 -5.960 1.00 0.00 H new ATOM 0 HE3 LYS A 52 19.414 1.206 -7.468 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 18.409 2.508 -5.709 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 17.262 2.185 -6.919 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 17.220 1.322 -5.457 1.00 0.00 H new ATOM 757 N PRO A 53 16.565 -5.084 -5.652 1.00 0.00 N ATOM 758 CA PRO A 53 16.920 -6.470 -5.974 1.00 0.00 C ATOM 759 C PRO A 53 15.753 -7.241 -6.587 1.00 0.00 C ATOM 760 O PRO A 53 15.794 -7.616 -7.759 1.00 0.00 O ATOM 761 CB PRO A 53 17.309 -7.084 -4.621 1.00 0.00 C ATOM 762 CG PRO A 53 17.421 -5.938 -3.672 1.00 0.00 C ATOM 763 CD PRO A 53 16.517 -4.865 -4.202 1.00 0.00 C ATOM 0 HA PRO A 53 17.718 -6.513 -6.715 1.00 0.00 H new ATOM 0 HB2 PRO A 53 16.557 -7.798 -4.285 1.00 0.00 H new ATOM 0 HB3 PRO A 53 18.252 -7.625 -4.694 1.00 0.00 H new ATOM 0 HG2 PRO A 53 17.124 -6.235 -2.666 1.00 0.00 H new ATOM 0 HG3 PRO A 53 18.450 -5.584 -3.609 1.00 0.00 H new ATOM 0 HD2 PRO A 53 15.504 -4.961 -3.812 1.00 0.00 H new ATOM 0 HD3 PRO A 53 16.869 -3.870 -3.932 1.00 0.00 H new ATOM 771 N TYR A 54 14.718 -7.483 -5.786 1.00 0.00 N ATOM 772 CA TYR A 54 13.546 -8.219 -6.254 1.00 0.00 C ATOM 773 C TYR A 54 12.263 -7.408 -6.070 1.00 0.00 C ATOM 774 O TYR A 54 11.163 -7.960 -6.100 1.00 0.00 O ATOM 775 CB TYR A 54 13.429 -9.555 -5.515 1.00 0.00 C ATOM 776 CG TYR A 54 13.701 -9.456 -4.029 1.00 0.00 C ATOM 777 CD1 TYR A 54 12.865 -8.721 -3.198 1.00 0.00 C ATOM 778 CD2 TYR A 54 14.793 -10.098 -3.458 1.00 0.00 C ATOM 779 CE1 TYR A 54 13.111 -8.628 -1.841 1.00 0.00 C ATOM 780 CE2 TYR A 54 15.045 -10.010 -2.102 1.00 0.00 C ATOM 781 CZ TYR A 54 14.201 -9.274 -1.299 1.00 0.00 C ATOM 782 OH TYR A 54 14.449 -9.183 0.053 1.00 0.00 O ATOM 0 H TYR A 54 14.667 -7.181 -4.813 1.00 0.00 H new ATOM 0 HA TYR A 54 13.677 -8.406 -7.320 1.00 0.00 H new ATOM 0 HB2 TYR A 54 12.427 -9.957 -5.666 1.00 0.00 H new ATOM 0 HB3 TYR A 54 14.127 -10.266 -5.956 1.00 0.00 H new ATOM 0 HD1 TYR A 54 12.009 -8.214 -3.619 1.00 0.00 H new ATOM 0 HD2 TYR A 54 15.456 -10.676 -4.085 1.00 0.00 H new ATOM 0 HE1 TYR A 54 12.452 -8.052 -1.208 1.00 0.00 H new ATOM 0 HE2 TYR A 54 15.898 -10.515 -1.674 1.00 0.00 H new ATOM 0 HH TYR A 54 13.741 -9.646 0.547 1.00 0.00 H new ATOM 792 N GLU A 55 12.409 -6.098 -5.890 1.00 0.00 N ATOM 793 CA GLU A 55 11.260 -5.215 -5.712 1.00 0.00 C ATOM 794 C GLU A 55 10.480 -5.563 -4.446 1.00 0.00 C ATOM 795 O GLU A 55 10.240 -6.734 -4.151 1.00 0.00 O ATOM 796 CB GLU A 55 10.339 -5.292 -6.931 1.00 0.00 C ATOM 797 CG GLU A 55 10.680 -4.278 -8.012 1.00 0.00 C ATOM 798 CD GLU A 55 9.501 -3.968 -8.913 1.00 0.00 C ATOM 799 OE1 GLU A 55 8.599 -3.224 -8.475 1.00 0.00 O ATOM 800 OE2 GLU A 55 9.481 -4.469 -10.057 1.00 0.00 O ATOM 0 H GLU A 55 13.312 -5.624 -5.864 1.00 0.00 H new ATOM 0 HA GLU A 55 11.636 -4.197 -5.608 1.00 0.00 H new ATOM 0 HB2 GLU A 55 10.392 -6.295 -7.354 1.00 0.00 H new ATOM 0 HB3 GLU A 55 9.309 -5.136 -6.609 1.00 0.00 H new ATOM 0 HG2 GLU A 55 11.027 -3.357 -7.544 1.00 0.00 H new ATOM 0 HG3 GLU A 55 11.504 -4.659 -8.616 1.00 0.00 H new ATOM 807 N GLU A 56 10.090 -4.532 -3.702 1.00 0.00 N ATOM 808 CA GLU A 56 9.342 -4.701 -2.472 1.00 0.00 C ATOM 809 C GLU A 56 8.253 -3.641 -2.361 1.00 0.00 C ATOM 810 O GLU A 56 7.064 -3.950 -2.415 1.00 0.00 O ATOM 811 CB GLU A 56 10.285 -4.609 -1.272 1.00 0.00 C ATOM 812 CG GLU A 56 10.633 -5.961 -0.684 1.00 0.00 C ATOM 813 CD GLU A 56 10.482 -6.000 0.825 1.00 0.00 C ATOM 814 OE1 GLU A 56 11.286 -5.344 1.520 1.00 0.00 O ATOM 815 OE2 GLU A 56 9.560 -6.686 1.312 1.00 0.00 O ATOM 0 H GLU A 56 10.286 -3.559 -3.939 1.00 0.00 H new ATOM 0 HA GLU A 56 8.871 -5.684 -2.482 1.00 0.00 H new ATOM 0 HB2 GLU A 56 11.202 -4.105 -1.576 1.00 0.00 H new ATOM 0 HB3 GLU A 56 9.823 -3.992 -0.501 1.00 0.00 H new ATOM 0 HG2 GLU A 56 9.992 -6.722 -1.129 1.00 0.00 H new ATOM 0 HG3 GLU A 56 11.659 -6.214 -0.949 1.00 0.00 H new ATOM 822 N VAL A 57 8.676 -2.390 -2.205 1.00 0.00 N ATOM 823 CA VAL A 57 7.749 -1.271 -2.080 1.00 0.00 C ATOM 824 C VAL A 57 7.549 -0.552 -3.413 1.00 0.00 C ATOM 825 O VAL A 57 8.376 -0.654 -4.318 1.00 0.00 O ATOM 826 CB VAL A 57 8.243 -0.261 -1.027 1.00 0.00 C ATOM 827 CG1 VAL A 57 9.566 0.358 -1.453 1.00 0.00 C ATOM 828 CG2 VAL A 57 7.196 0.813 -0.785 1.00 0.00 C ATOM 0 H VAL A 57 9.660 -2.125 -2.162 1.00 0.00 H new ATOM 0 HA VAL A 57 6.793 -1.687 -1.762 1.00 0.00 H new ATOM 0 HB VAL A 57 8.406 -0.794 -0.091 1.00 0.00 H new ATOM 0 HG11 VAL A 57 9.896 1.068 -0.695 1.00 0.00 H new ATOM 0 HG12 VAL A 57 10.315 -0.426 -1.567 1.00 0.00 H new ATOM 0 HG13 VAL A 57 9.436 0.876 -2.403 1.00 0.00 H new ATOM 0 HG21 VAL A 57 7.563 1.517 -0.038 1.00 0.00 H new ATOM 0 HG22 VAL A 57 6.996 1.343 -1.716 1.00 0.00 H new ATOM 0 HG23 VAL A 57 6.276 0.350 -0.427 1.00 0.00 H new ATOM 838 N THR A 58 6.442 0.180 -3.518 1.00 0.00 N ATOM 839 CA THR A 58 6.123 0.925 -4.731 1.00 0.00 C ATOM 840 C THR A 58 5.505 2.277 -4.385 1.00 0.00 C ATOM 841 O THR A 58 4.632 2.367 -3.523 1.00 0.00 O ATOM 842 CB THR A 58 5.162 0.124 -5.612 1.00 0.00 C ATOM 843 OG1 THR A 58 4.929 0.793 -6.838 1.00 0.00 O ATOM 844 CG2 THR A 58 3.818 -0.125 -4.962 1.00 0.00 C ATOM 0 H THR A 58 5.750 0.272 -2.775 1.00 0.00 H new ATOM 0 HA THR A 58 7.049 1.094 -5.280 1.00 0.00 H new ATOM 0 HB THR A 58 5.652 -0.836 -5.773 1.00 0.00 H new ATOM 0 HG1 THR A 58 4.314 0.264 -7.388 1.00 0.00 H new ATOM 0 HG21 THR A 58 3.186 -0.698 -5.641 1.00 0.00 H new ATOM 0 HG22 THR A 58 3.959 -0.685 -4.038 1.00 0.00 H new ATOM 0 HG23 THR A 58 3.340 0.829 -4.739 1.00 0.00 H new ATOM 852 N CYS A 59 5.970 3.326 -5.058 1.00 0.00 N ATOM 853 CA CYS A 59 5.468 4.675 -4.818 1.00 0.00 C ATOM 854 C CYS A 59 4.015 4.819 -5.263 1.00 0.00 C ATOM 855 O CYS A 59 3.527 4.054 -6.094 1.00 0.00 O ATOM 856 CB CYS A 59 6.336 5.700 -5.554 1.00 0.00 C ATOM 857 SG CYS A 59 6.017 7.430 -5.072 1.00 0.00 S ATOM 0 H CYS A 59 6.694 3.267 -5.774 1.00 0.00 H new ATOM 0 HA CYS A 59 5.515 4.859 -3.745 1.00 0.00 H new ATOM 0 HB2 CYS A 59 7.385 5.470 -5.370 1.00 0.00 H new ATOM 0 HB3 CYS A 59 6.171 5.597 -6.626 1.00 0.00 H new ATOM 862 N CYS A 60 3.338 5.823 -4.712 1.00 0.00 N ATOM 863 CA CYS A 60 1.960 6.108 -5.040 1.00 0.00 C ATOM 864 C CYS A 60 1.796 7.595 -5.268 1.00 0.00 C ATOM 865 O CYS A 60 2.768 8.351 -5.256 1.00 0.00 O ATOM 866 CB CYS A 60 1.028 5.623 -3.928 1.00 0.00 C ATOM 867 SG CYS A 60 0.633 3.842 -4.032 1.00 0.00 S ATOM 0 H CYS A 60 3.739 6.460 -4.023 1.00 0.00 H new ATOM 0 HA CYS A 60 1.692 5.576 -5.953 1.00 0.00 H new ATOM 0 HB2 CYS A 60 1.490 5.829 -2.962 1.00 0.00 H new ATOM 0 HB3 CYS A 60 0.101 6.195 -3.966 1.00 0.00 H new ATOM 872 N SER A 61 0.571 8.003 -5.484 1.00 0.00 N ATOM 873 CA SER A 61 0.269 9.403 -5.728 1.00 0.00 C ATOM 874 C SER A 61 -0.521 10.010 -4.577 1.00 0.00 C ATOM 875 O SER A 61 -0.907 11.177 -4.639 1.00 0.00 O ATOM 876 CB SER A 61 -0.519 9.552 -7.030 1.00 0.00 C ATOM 877 OG SER A 61 -1.744 8.842 -6.965 1.00 0.00 O ATOM 0 H SER A 61 -0.242 7.387 -5.497 1.00 0.00 H new ATOM 0 HA SER A 61 1.215 9.938 -5.811 1.00 0.00 H new ATOM 0 HB2 SER A 61 -0.715 10.607 -7.222 1.00 0.00 H new ATOM 0 HB3 SER A 61 0.077 9.182 -7.864 1.00 0.00 H new ATOM 0 HG SER A 61 -2.232 8.953 -7.808 1.00 0.00 H new ATOM 883 N THR A 62 -0.770 9.226 -3.527 1.00 0.00 N ATOM 884 CA THR A 62 -1.536 9.746 -2.392 1.00 0.00 C ATOM 885 C THR A 62 -1.440 8.876 -1.138 1.00 0.00 C ATOM 886 O THR A 62 -1.451 9.397 -0.023 1.00 0.00 O ATOM 887 CB THR A 62 -3.008 9.896 -2.784 1.00 0.00 C ATOM 888 OG1 THR A 62 -3.143 10.670 -3.961 1.00 0.00 O ATOM 889 CG2 THR A 62 -3.853 10.546 -1.710 1.00 0.00 C ATOM 0 H THR A 62 -0.464 8.257 -3.437 1.00 0.00 H new ATOM 0 HA THR A 62 -1.096 10.712 -2.145 1.00 0.00 H new ATOM 0 HB THR A 62 -3.365 8.878 -2.939 1.00 0.00 H new ATOM 0 HG1 THR A 62 -2.406 11.314 -4.016 1.00 0.00 H new ATOM 0 HG21 THR A 62 -4.884 10.621 -2.054 1.00 0.00 H new ATOM 0 HG22 THR A 62 -3.816 9.943 -0.803 1.00 0.00 H new ATOM 0 HG23 THR A 62 -3.468 11.543 -1.498 1.00 0.00 H new ATOM 897 N ASP A 63 -1.396 7.558 -1.303 1.00 0.00 N ATOM 898 CA ASP A 63 -1.360 6.664 -0.147 1.00 0.00 C ATOM 899 C ASP A 63 -1.052 5.225 -0.563 1.00 0.00 C ATOM 900 O ASP A 63 -0.469 5.003 -1.622 1.00 0.00 O ATOM 901 CB ASP A 63 -2.728 6.718 0.519 1.00 0.00 C ATOM 902 CG ASP A 63 -3.822 6.283 -0.436 1.00 0.00 C ATOM 903 OD1 ASP A 63 -4.035 5.061 -0.576 1.00 0.00 O ATOM 904 OD2 ASP A 63 -4.459 7.163 -1.052 1.00 0.00 O ATOM 0 H ASP A 63 -1.384 7.089 -2.209 1.00 0.00 H new ATOM 0 HA ASP A 63 -0.573 6.985 0.535 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -2.733 6.074 1.398 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -2.927 7.732 0.865 1.00 0.00 H new ATOM 909 N LYS A 64 -1.490 4.240 0.252 1.00 0.00 N ATOM 910 CA LYS A 64 -1.302 2.825 -0.085 1.00 0.00 C ATOM 911 C LYS A 64 -1.576 2.687 -1.562 1.00 0.00 C ATOM 912 O LYS A 64 -0.687 2.437 -2.358 1.00 0.00 O ATOM 913 CB LYS A 64 -2.287 1.960 0.695 1.00 0.00 C ATOM 914 CG LYS A 64 -1.748 1.403 2.004 1.00 0.00 C ATOM 915 CD LYS A 64 -1.377 -0.065 1.888 1.00 0.00 C ATOM 916 CE LYS A 64 0.130 -0.257 1.796 1.00 0.00 C ATOM 917 NZ LYS A 64 0.535 -1.646 2.152 1.00 0.00 N ATOM 0 H LYS A 64 -1.970 4.403 1.137 1.00 0.00 H new ATOM 0 HA LYS A 64 -0.292 2.501 0.167 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -3.179 2.550 0.907 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -2.598 1.128 0.063 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -0.872 1.975 2.308 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -2.497 1.527 2.786 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -1.761 -0.607 2.752 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -1.853 -0.493 1.006 1.00 0.00 H new ATOM 0 HE2 LYS A 64 0.464 -0.029 0.784 1.00 0.00 H new ATOM 0 HE3 LYS A 64 0.627 0.448 2.462 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 1.451 -1.625 2.644 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -0.183 -2.068 2.775 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 0.620 -2.215 1.286 1.00 0.00 H new ATOM 931 N CYS A 65 -2.811 2.980 -1.914 1.00 0.00 N ATOM 932 CA CYS A 65 -3.215 3.028 -3.300 1.00 0.00 C ATOM 933 C CYS A 65 -3.040 1.739 -4.074 1.00 0.00 C ATOM 934 O CYS A 65 -3.135 1.750 -5.302 1.00 0.00 O ATOM 935 CB CYS A 65 -2.427 4.161 -3.938 1.00 0.00 C ATOM 936 SG CYS A 65 -1.093 3.708 -5.113 1.00 0.00 S ATOM 0 H CYS A 65 -3.557 3.190 -1.251 1.00 0.00 H new ATOM 0 HA CYS A 65 -4.292 3.193 -3.334 1.00 0.00 H new ATOM 0 HB2 CYS A 65 -3.131 4.807 -4.462 1.00 0.00 H new ATOM 0 HB3 CYS A 65 -1.984 4.754 -3.138 1.00 0.00 H new ATOM 941 N ASN A 66 -2.815 0.626 -3.405 1.00 0.00 N ATOM 942 CA ASN A 66 -2.673 -0.608 -4.155 1.00 0.00 C ATOM 943 C ASN A 66 -3.243 -1.810 -3.409 1.00 0.00 C ATOM 944 O ASN A 66 -2.494 -2.650 -2.912 1.00 0.00 O ATOM 945 CB ASN A 66 -1.213 -0.870 -4.532 1.00 0.00 C ATOM 946 CG ASN A 66 -0.890 -0.418 -5.942 1.00 0.00 C ATOM 947 OD1 ASN A 66 -1.404 -0.968 -6.915 1.00 0.00 O ATOM 948 ND2 ASN A 66 -0.033 0.590 -6.059 1.00 0.00 N ATOM 0 H ASN A 66 -2.729 0.547 -2.392 1.00 0.00 H new ATOM 0 HA ASN A 66 -3.253 -0.477 -5.069 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -0.561 -0.352 -3.829 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -1.002 -1.935 -4.438 1.00 0.00 H new ATOM 0 HD21 ASN A 66 0.223 0.937 -6.983 1.00 0.00 H new ATOM 0 HD22 ASN A 66 0.369 1.017 -5.225 1.00 0.00 H new ATOM 955 N PRO A 67 -4.579 -1.919 -3.335 1.00 0.00 N ATOM 956 CA PRO A 67 -5.238 -3.038 -2.661 1.00 0.00 C ATOM 957 C PRO A 67 -5.017 -4.347 -3.415 1.00 0.00 C ATOM 958 O PRO A 67 -5.953 -4.916 -3.978 1.00 0.00 O ATOM 959 CB PRO A 67 -6.728 -2.653 -2.668 1.00 0.00 C ATOM 960 CG PRO A 67 -6.767 -1.211 -3.056 1.00 0.00 C ATOM 961 CD PRO A 67 -5.551 -0.979 -3.906 1.00 0.00 C ATOM 0 HA PRO A 67 -4.847 -3.203 -1.657 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -7.288 -3.265 -3.375 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -7.178 -2.808 -1.687 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -7.678 -0.980 -3.607 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -6.756 -0.569 -2.175 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -5.746 -1.186 -4.958 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -5.203 0.052 -3.844 1.00 0.00 H new ATOM 969 N HIS A 68 -3.765 -4.810 -3.431 1.00 0.00 N ATOM 970 CA HIS A 68 -3.396 -6.047 -4.124 1.00 0.00 C ATOM 971 C HIS A 68 -4.496 -7.108 -4.028 1.00 0.00 C ATOM 972 O HIS A 68 -4.908 -7.675 -5.040 1.00 0.00 O ATOM 973 CB HIS A 68 -2.087 -6.600 -3.557 1.00 0.00 C ATOM 974 CG HIS A 68 -1.026 -6.808 -4.594 1.00 0.00 C ATOM 975 ND1 HIS A 68 0.114 -6.034 -4.671 1.00 0.00 N ATOM 976 CD2 HIS A 68 -0.934 -7.709 -5.600 1.00 0.00 C ATOM 977 CE1 HIS A 68 0.860 -6.451 -5.678 1.00 0.00 C ATOM 978 NE2 HIS A 68 0.246 -7.466 -6.259 1.00 0.00 N ATOM 0 H HIS A 68 -2.985 -4.343 -2.969 1.00 0.00 H new ATOM 0 HA HIS A 68 -3.263 -5.803 -5.178 1.00 0.00 H new ATOM 0 HB2 HIS A 68 -1.711 -5.915 -2.797 1.00 0.00 H new ATOM 0 HB3 HIS A 68 -2.288 -7.549 -3.059 1.00 0.00 H new ATOM 0 HD2 HIS A 68 -1.655 -8.477 -5.840 1.00 0.00 H new ATOM 0 HE1 HIS A 68 1.810 -6.033 -5.976 1.00 0.00 H new ATOM 0 HE2 HIS A 68 0.592 -7.985 -7.066 1.00 0.00 H new ATOM 987 N PRO A 69 -4.987 -7.392 -2.809 1.00 0.00 N ATOM 988 CA PRO A 69 -6.041 -8.393 -2.599 1.00 0.00 C ATOM 989 C PRO A 69 -7.333 -8.033 -3.328 1.00 0.00 C ATOM 990 O PRO A 69 -8.271 -7.510 -2.728 1.00 0.00 O ATOM 991 CB PRO A 69 -6.261 -8.380 -1.081 1.00 0.00 C ATOM 992 CG PRO A 69 -5.032 -7.754 -0.514 1.00 0.00 C ATOM 993 CD PRO A 69 -4.559 -6.772 -1.545 1.00 0.00 C ATOM 0 HA PRO A 69 -5.754 -9.370 -2.988 1.00 0.00 H new ATOM 0 HB2 PRO A 69 -7.151 -7.809 -0.817 1.00 0.00 H new ATOM 0 HB3 PRO A 69 -6.403 -9.389 -0.695 1.00 0.00 H new ATOM 0 HG2 PRO A 69 -5.248 -7.255 0.431 1.00 0.00 H new ATOM 0 HG3 PRO A 69 -4.269 -8.505 -0.311 1.00 0.00 H new ATOM 0 HD2 PRO A 69 -5.009 -5.789 -1.404 1.00 0.00 H new ATOM 0 HD3 PRO A 69 -3.478 -6.636 -1.507 1.00 0.00 H new ATOM 1001 N LYS A 70 -7.374 -8.317 -4.626 1.00 0.00 N ATOM 1002 CA LYS A 70 -8.551 -8.023 -5.435 1.00 0.00 C ATOM 1003 C LYS A 70 -8.561 -8.863 -6.709 1.00 0.00 C ATOM 1004 O LYS A 70 -7.562 -9.493 -7.057 1.00 0.00 O ATOM 1005 CB LYS A 70 -8.596 -6.535 -5.787 1.00 0.00 C ATOM 1006 CG LYS A 70 -7.440 -6.080 -6.663 1.00 0.00 C ATOM 1007 CD LYS A 70 -7.876 -5.009 -7.651 1.00 0.00 C ATOM 1008 CE LYS A 70 -7.005 -3.767 -7.550 1.00 0.00 C ATOM 1009 NZ LYS A 70 -7.430 -2.879 -6.433 1.00 0.00 N ATOM 0 H LYS A 70 -6.606 -8.750 -5.139 1.00 0.00 H new ATOM 0 HA LYS A 70 -9.435 -8.276 -4.850 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -9.534 -6.320 -6.298 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -8.594 -5.952 -4.866 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -6.638 -5.692 -6.035 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -7.036 -6.934 -7.206 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -7.827 -5.407 -8.665 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -8.916 -4.741 -7.463 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -5.966 -4.063 -7.403 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -7.049 -3.215 -8.489 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -7.020 -1.933 -6.566 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -8.468 -2.808 -6.422 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -7.100 -3.275 -5.530 1.00 0.00 H new ATOM 1023 N GLN A 71 -9.696 -8.869 -7.401 1.00 0.00 N ATOM 1024 CA GLN A 71 -9.836 -9.634 -8.635 1.00 0.00 C ATOM 1025 C GLN A 71 -9.830 -8.717 -9.854 1.00 0.00 C ATOM 1026 O GLN A 71 -10.195 -7.545 -9.763 1.00 0.00 O ATOM 1027 CB GLN A 71 -11.126 -10.455 -8.605 1.00 0.00 C ATOM 1028 CG GLN A 71 -10.977 -11.843 -9.209 1.00 0.00 C ATOM 1029 CD GLN A 71 -11.258 -12.949 -8.209 1.00 0.00 C ATOM 1030 OE1 GLN A 71 -10.385 -13.763 -7.906 1.00 0.00 O ATOM 1031 NE2 GLN A 71 -12.481 -12.983 -7.692 1.00 0.00 N ATOM 0 H GLN A 71 -10.532 -8.353 -7.128 1.00 0.00 H new ATOM 0 HA GLN A 71 -8.984 -10.309 -8.711 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -11.462 -10.551 -7.573 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -11.904 -9.914 -9.144 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -11.657 -11.942 -10.055 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -9.966 -11.959 -9.598 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -13.173 -12.288 -7.972 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -12.728 -13.704 -7.015 1.00 0.00 H new ATOM 1040 N ARG A 72 -9.416 -9.260 -10.995 1.00 0.00 N ATOM 1041 CA ARG A 72 -9.364 -8.496 -12.236 1.00 0.00 C ATOM 1042 C ARG A 72 -10.608 -8.764 -13.086 1.00 0.00 C ATOM 1043 O ARG A 72 -11.088 -9.895 -13.156 1.00 0.00 O ATOM 1044 CB ARG A 72 -8.088 -8.851 -13.016 1.00 0.00 C ATOM 1045 CG ARG A 72 -8.232 -8.767 -14.531 1.00 0.00 C ATOM 1046 CD ARG A 72 -6.887 -8.577 -15.214 1.00 0.00 C ATOM 1047 NE ARG A 72 -7.029 -8.014 -16.555 1.00 0.00 N ATOM 1048 CZ ARG A 72 -6.107 -8.119 -17.507 1.00 0.00 C ATOM 1049 NH1 ARG A 72 -4.969 -8.762 -17.273 1.00 0.00 N ATOM 1050 NH2 ARG A 72 -6.321 -7.580 -18.699 1.00 0.00 N ATOM 0 H ARG A 72 -9.111 -10.229 -11.085 1.00 0.00 H new ATOM 0 HA ARG A 72 -9.343 -7.433 -11.994 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -7.287 -8.182 -12.702 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -7.782 -9.862 -12.748 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -8.704 -9.677 -14.903 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -8.891 -7.938 -14.789 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -6.263 -7.919 -14.609 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -6.373 -9.536 -15.276 1.00 0.00 H new ATOM 0 HE ARG A 72 -7.888 -7.510 -16.774 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -4.798 -9.179 -16.358 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -4.266 -8.839 -18.008 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -7.193 -7.085 -18.886 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -5.614 -7.660 -19.430 1.00 0.00 H new ATOM 1064 N PRO A 73 -11.146 -7.723 -13.748 1.00 0.00 N ATOM 1065 CA PRO A 73 -12.337 -7.857 -14.593 1.00 0.00 C ATOM 1066 C PRO A 73 -12.217 -9.012 -15.585 1.00 0.00 C ATOM 1067 O PRO A 73 -13.069 -9.899 -15.625 1.00 0.00 O ATOM 1068 CB PRO A 73 -12.396 -6.521 -15.335 1.00 0.00 C ATOM 1069 CG PRO A 73 -11.717 -5.556 -14.428 1.00 0.00 C ATOM 1070 CD PRO A 73 -10.640 -6.336 -13.722 1.00 0.00 C ATOM 0 HA PRO A 73 -13.230 -8.076 -14.008 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -11.891 -6.581 -16.299 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -13.426 -6.222 -15.532 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -11.292 -4.725 -14.991 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -12.422 -5.130 -13.714 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -9.681 -6.249 -14.233 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -10.491 -5.982 -12.702 1.00 0.00 H new ATOM 1078 N GLY A 74 -11.154 -8.993 -16.382 1.00 0.00 N ATOM 1079 CA GLY A 74 -10.942 -10.042 -17.361 1.00 0.00 C ATOM 1080 C GLY A 74 -11.771 -9.843 -18.614 1.00 0.00 C ATOM 1081 O GLY A 74 -12.869 -9.256 -18.513 1.00 0.00 O ATOM 1082 OXT GLY A 74 -11.322 -10.273 -19.698 1.00 0.00 O ATOM 0 H GLY A 74 -10.435 -8.269 -16.367 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -9.886 -10.076 -17.629 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -11.189 -11.006 -16.915 1.00 0.00 H new TER 1086 GLY A 74