USER MOD reduce.3.24.130724 H: found=0, std=0, add=650, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 645 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 78 SER OG : rot 76:sc= 0.327 USER MOD Set 1.2: A 83 SER OG : rot 180:sc= -0.197 USER MOD Set 2.1: A 68 TYR OH : rot 165:sc= -0.124 USER MOD Set 2.2: A 73 HIS : no HD1:sc= -3.02! K(o=-3.1!,f=-2.6) USER MOD Single : A 1 GLY N :NH3+ -123:sc= 0.0731 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 LYS NZ :NH3+ -153:sc= 0 (180deg=-0.468) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 23 GLN : amide:sc= -0.0057 X(o=-0.0057,f=-0.41) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.0141) USER MOD Single : A 29 HIS : no HD1:sc= -1.17 K(o=-1.2,f=-0.32) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 MET CE :methyl 141:sc= -0.0248 (180deg=-0.308) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 HIS : no HD1:sc= -4.42! C(o=-4.4!,f=-9.6!) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 ASN : amide:sc= -5.44! C(o=-5.4!,f=-8.5!) USER MOD Single : A 41 LYS NZ :NH3+ -162:sc= -0.0184 (180deg=-0.198) USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ 174:sc=0.000813 (180deg=0) USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 THR OG1 : rot 155:sc= 0.113 USER MOD Single : A 60 SER OG : rot -62:sc= 0.866 USER MOD Single : A 63 ASN : amide:sc= -0.275 K(o=-0.28,f=-1.3!) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 77 THR OG1 : rot 60:sc= 0.823 USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 86 SER OG : rot 36:sc= 0.0224 USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 17.436 15.731 -9.823 1.00 0.00 N ATOM 2 CA GLY A 1 16.545 16.265 -8.809 1.00 0.00 C ATOM 3 C GLY A 1 16.286 15.279 -7.687 1.00 0.00 C ATOM 4 O GLY A 1 16.982 14.272 -7.564 1.00 0.00 O ATOM 0 H1 GLY A 1 18.259 16.359 -9.928 1.00 0.00 H new ATOM 0 H2 GLY A 1 17.757 14.784 -9.539 1.00 0.00 H new ATOM 0 H3 GLY A 1 16.931 15.668 -10.730 1.00 0.00 H new ATOM 0 HA2 GLY A 1 16.976 17.177 -8.395 1.00 0.00 H new ATOM 0 HA3 GLY A 1 15.597 16.541 -9.271 1.00 0.00 H new ATOM 8 N SER A 2 15.282 15.570 -6.866 1.00 0.00 N ATOM 9 CA SER A 2 14.936 14.704 -5.745 1.00 0.00 C ATOM 10 C SER A 2 14.693 13.274 -6.218 1.00 0.00 C ATOM 11 O SER A 2 14.506 13.026 -7.409 1.00 0.00 O ATOM 12 CB SER A 2 13.693 15.235 -5.028 1.00 0.00 C ATOM 13 OG SER A 2 13.850 16.598 -4.676 1.00 0.00 O ATOM 0 H SER A 2 14.694 16.399 -6.956 1.00 0.00 H new ATOM 0 HA SER A 2 15.774 14.700 -5.048 1.00 0.00 H new ATOM 0 HB2 SER A 2 12.821 15.121 -5.672 1.00 0.00 H new ATOM 0 HB3 SER A 2 13.506 14.644 -4.131 1.00 0.00 H new ATOM 0 HG SER A 2 13.041 16.914 -4.221 1.00 0.00 H new ATOM 19 N SER A 3 14.698 12.337 -5.276 1.00 0.00 N ATOM 20 CA SER A 3 14.482 10.931 -5.595 1.00 0.00 C ATOM 21 C SER A 3 13.245 10.395 -4.879 1.00 0.00 C ATOM 22 O SER A 3 13.216 9.244 -4.445 1.00 0.00 O ATOM 23 CB SER A 3 15.709 10.104 -5.206 1.00 0.00 C ATOM 24 OG SER A 3 15.909 10.116 -3.803 1.00 0.00 O ATOM 0 H SER A 3 14.849 12.526 -4.285 1.00 0.00 H new ATOM 0 HA SER A 3 14.322 10.848 -6.670 1.00 0.00 H new ATOM 0 HB2 SER A 3 15.583 9.077 -5.550 1.00 0.00 H new ATOM 0 HB3 SER A 3 16.592 10.501 -5.706 1.00 0.00 H new ATOM 0 HG SER A 3 16.698 9.579 -3.580 1.00 0.00 H new ATOM 30 N GLY A 4 12.225 11.239 -4.761 1.00 0.00 N ATOM 31 CA GLY A 4 11.000 10.834 -4.097 1.00 0.00 C ATOM 32 C GLY A 4 9.760 11.255 -4.861 1.00 0.00 C ATOM 33 O GLY A 4 9.032 12.150 -4.432 1.00 0.00 O ATOM 0 H GLY A 4 12.225 12.196 -5.113 1.00 0.00 H new ATOM 0 HA2 GLY A 4 10.998 9.751 -3.975 1.00 0.00 H new ATOM 0 HA3 GLY A 4 10.972 11.268 -3.097 1.00 0.00 H new ATOM 37 N SER A 5 9.520 10.611 -5.999 1.00 0.00 N ATOM 38 CA SER A 5 8.363 10.928 -6.827 1.00 0.00 C ATOM 39 C SER A 5 7.105 10.259 -6.282 1.00 0.00 C ATOM 40 O SER A 5 6.826 9.098 -6.583 1.00 0.00 O ATOM 41 CB SER A 5 8.606 10.483 -8.271 1.00 0.00 C ATOM 42 OG SER A 5 9.679 11.204 -8.853 1.00 0.00 O ATOM 0 H SER A 5 10.112 9.867 -6.368 1.00 0.00 H new ATOM 0 HA SER A 5 8.217 12.008 -6.806 1.00 0.00 H new ATOM 0 HB2 SER A 5 8.826 9.416 -8.294 1.00 0.00 H new ATOM 0 HB3 SER A 5 7.701 10.634 -8.859 1.00 0.00 H new ATOM 0 HG SER A 5 9.815 10.900 -9.775 1.00 0.00 H new ATOM 48 N SER A 6 6.349 11.000 -5.479 1.00 0.00 N ATOM 49 CA SER A 6 5.122 10.478 -4.888 1.00 0.00 C ATOM 50 C SER A 6 3.898 11.178 -5.471 1.00 0.00 C ATOM 51 O SER A 6 4.013 12.004 -6.376 1.00 0.00 O ATOM 52 CB SER A 6 5.148 10.654 -3.368 1.00 0.00 C ATOM 53 OG SER A 6 5.514 11.977 -3.014 1.00 0.00 O ATOM 0 H SER A 6 6.564 11.963 -5.222 1.00 0.00 H new ATOM 0 HA SER A 6 5.058 9.416 -5.123 1.00 0.00 H new ATOM 0 HB2 SER A 6 4.166 10.422 -2.955 1.00 0.00 H new ATOM 0 HB3 SER A 6 5.853 9.948 -2.929 1.00 0.00 H new ATOM 0 HG SER A 6 5.522 12.064 -2.038 1.00 0.00 H new ATOM 59 N GLY A 7 2.724 10.840 -4.946 1.00 0.00 N ATOM 60 CA GLY A 7 1.495 11.443 -5.426 1.00 0.00 C ATOM 61 C GLY A 7 0.280 10.578 -5.155 1.00 0.00 C ATOM 62 O GLY A 7 -0.358 10.702 -4.109 1.00 0.00 O ATOM 0 H GLY A 7 2.603 10.159 -4.196 1.00 0.00 H new ATOM 0 HA2 GLY A 7 1.360 12.414 -4.949 1.00 0.00 H new ATOM 0 HA3 GLY A 7 1.577 11.623 -6.498 1.00 0.00 H new ATOM 66 N SER A 8 -0.043 9.702 -6.100 1.00 0.00 N ATOM 67 CA SER A 8 -1.193 8.816 -5.961 1.00 0.00 C ATOM 68 C SER A 8 -0.808 7.537 -5.225 1.00 0.00 C ATOM 69 O SER A 8 0.284 7.002 -5.416 1.00 0.00 O ATOM 70 CB SER A 8 -1.768 8.473 -7.336 1.00 0.00 C ATOM 71 OG SER A 8 -1.156 7.312 -7.870 1.00 0.00 O ATOM 0 H SER A 8 0.475 9.586 -6.971 1.00 0.00 H new ATOM 0 HA SER A 8 -1.952 9.336 -5.377 1.00 0.00 H new ATOM 0 HB2 SER A 8 -2.844 8.316 -7.255 1.00 0.00 H new ATOM 0 HB3 SER A 8 -1.618 9.312 -8.016 1.00 0.00 H new ATOM 0 HG SER A 8 -1.542 7.113 -8.748 1.00 0.00 H new ATOM 77 N TYR A 9 -1.713 7.052 -4.382 1.00 0.00 N ATOM 78 CA TYR A 9 -1.469 5.837 -3.614 1.00 0.00 C ATOM 79 C TYR A 9 -0.870 4.746 -4.496 1.00 0.00 C ATOM 80 O TYR A 9 0.211 4.227 -4.214 1.00 0.00 O ATOM 81 CB TYR A 9 -2.769 5.339 -2.980 1.00 0.00 C ATOM 82 CG TYR A 9 -3.450 6.369 -2.108 1.00 0.00 C ATOM 83 CD1 TYR A 9 -2.724 7.391 -1.509 1.00 0.00 C ATOM 84 CD2 TYR A 9 -4.820 6.320 -1.882 1.00 0.00 C ATOM 85 CE1 TYR A 9 -3.342 8.334 -0.710 1.00 0.00 C ATOM 86 CE2 TYR A 9 -5.447 7.260 -1.086 1.00 0.00 C ATOM 87 CZ TYR A 9 -4.704 8.264 -0.503 1.00 0.00 C ATOM 88 OH TYR A 9 -5.325 9.201 0.291 1.00 0.00 O ATOM 0 H TYR A 9 -2.622 7.482 -4.213 1.00 0.00 H new ATOM 0 HA TYR A 9 -0.755 6.074 -2.825 1.00 0.00 H new ATOM 0 HB2 TYR A 9 -3.455 5.033 -3.770 1.00 0.00 H new ATOM 0 HB3 TYR A 9 -2.556 4.453 -2.382 1.00 0.00 H new ATOM 0 HD1 TYR A 9 -1.658 7.449 -1.671 1.00 0.00 H new ATOM 0 HD2 TYR A 9 -5.405 5.534 -2.336 1.00 0.00 H new ATOM 0 HE1 TYR A 9 -2.762 9.121 -0.250 1.00 0.00 H new ATOM 0 HE2 TYR A 9 -6.513 7.208 -0.922 1.00 0.00 H new ATOM 0 HH TYR A 9 -6.285 9.010 0.333 1.00 0.00 H new ATOM 98 N TYR A 10 -1.579 4.404 -5.566 1.00 0.00 N ATOM 99 CA TYR A 10 -1.119 3.374 -6.490 1.00 0.00 C ATOM 100 C TYR A 10 0.386 3.478 -6.717 1.00 0.00 C ATOM 101 O TYR A 10 1.069 2.469 -6.895 1.00 0.00 O ATOM 102 CB TYR A 10 -1.857 3.490 -7.824 1.00 0.00 C ATOM 103 CG TYR A 10 -3.351 3.284 -7.711 1.00 0.00 C ATOM 104 CD1 TYR A 10 -3.871 2.192 -7.027 1.00 0.00 C ATOM 105 CD2 TYR A 10 -4.242 4.181 -8.287 1.00 0.00 C ATOM 106 CE1 TYR A 10 -5.235 1.999 -6.921 1.00 0.00 C ATOM 107 CE2 TYR A 10 -5.607 3.997 -8.185 1.00 0.00 C ATOM 108 CZ TYR A 10 -6.099 2.904 -7.502 1.00 0.00 C ATOM 109 OH TYR A 10 -7.458 2.716 -7.397 1.00 0.00 O ATOM 0 H TYR A 10 -2.474 4.825 -5.815 1.00 0.00 H new ATOM 0 HA TYR A 10 -1.334 2.402 -6.047 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -1.666 4.475 -8.251 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -1.449 2.757 -8.520 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -3.197 1.482 -6.570 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -3.861 5.037 -8.824 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -5.623 1.144 -6.386 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -6.286 4.705 -8.637 1.00 0.00 H new ATOM 0 HH TYR A 10 -7.925 3.442 -7.860 1.00 0.00 H new ATOM 119 N ASP A 11 0.895 4.705 -6.709 1.00 0.00 N ATOM 120 CA ASP A 11 2.319 4.942 -6.912 1.00 0.00 C ATOM 121 C ASP A 11 3.110 4.620 -5.648 1.00 0.00 C ATOM 122 O ASP A 11 4.103 3.893 -5.694 1.00 0.00 O ATOM 123 CB ASP A 11 2.562 6.395 -7.324 1.00 0.00 C ATOM 124 CG ASP A 11 3.813 6.558 -8.165 1.00 0.00 C ATOM 125 OD1 ASP A 11 3.931 5.862 -9.195 1.00 0.00 O ATOM 126 OD2 ASP A 11 4.675 7.381 -7.792 1.00 0.00 O ATOM 0 H ASP A 11 0.343 5.550 -6.564 1.00 0.00 H new ATOM 0 HA ASP A 11 2.661 4.283 -7.710 1.00 0.00 H new ATOM 0 HB2 ASP A 11 1.701 6.759 -7.885 1.00 0.00 H new ATOM 0 HB3 ASP A 11 2.645 7.014 -6.430 1.00 0.00 H new ATOM 131 N ILE A 12 2.664 5.167 -4.522 1.00 0.00 N ATOM 132 CA ILE A 12 3.330 4.938 -3.246 1.00 0.00 C ATOM 133 C ILE A 12 3.397 3.450 -2.920 1.00 0.00 C ATOM 134 O ILE A 12 4.391 2.965 -2.379 1.00 0.00 O ATOM 135 CB ILE A 12 2.614 5.672 -2.097 1.00 0.00 C ATOM 136 CG1 ILE A 12 2.568 7.176 -2.374 1.00 0.00 C ATOM 137 CG2 ILE A 12 3.311 5.393 -0.774 1.00 0.00 C ATOM 138 CD1 ILE A 12 1.631 7.931 -1.457 1.00 0.00 C ATOM 0 H ILE A 12 1.844 5.772 -4.468 1.00 0.00 H new ATOM 0 HA ILE A 12 4.342 5.332 -3.343 1.00 0.00 H new ATOM 0 HB ILE A 12 1.591 5.302 -2.031 1.00 0.00 H new ATOM 0 HG12 ILE A 12 3.572 7.587 -2.272 1.00 0.00 H new ATOM 0 HG13 ILE A 12 2.261 7.338 -3.407 1.00 0.00 H new ATOM 0 HG21 ILE A 12 2.793 5.919 0.028 1.00 0.00 H new ATOM 0 HG22 ILE A 12 3.297 4.322 -0.574 1.00 0.00 H new ATOM 0 HG23 ILE A 12 4.343 5.738 -0.827 1.00 0.00 H new ATOM 0 HD11 ILE A 12 1.649 8.991 -1.711 1.00 0.00 H new ATOM 0 HD12 ILE A 12 0.618 7.547 -1.576 1.00 0.00 H new ATOM 0 HD13 ILE A 12 1.950 7.800 -0.423 1.00 0.00 H new ATOM 150 N LEU A 13 2.333 2.728 -3.256 1.00 0.00 N ATOM 151 CA LEU A 13 2.270 1.293 -3.001 1.00 0.00 C ATOM 152 C LEU A 13 2.896 0.509 -4.149 1.00 0.00 C ATOM 153 O LEU A 13 3.534 -0.521 -3.936 1.00 0.00 O ATOM 154 CB LEU A 13 0.819 0.854 -2.799 1.00 0.00 C ATOM 155 CG LEU A 13 0.120 1.399 -1.553 1.00 0.00 C ATOM 156 CD1 LEU A 13 -1.344 0.986 -1.539 1.00 0.00 C ATOM 157 CD2 LEU A 13 0.824 0.917 -0.293 1.00 0.00 C ATOM 0 H LEU A 13 1.502 3.113 -3.706 1.00 0.00 H new ATOM 0 HA LEU A 13 2.835 1.085 -2.093 1.00 0.00 H new ATOM 0 HB2 LEU A 13 0.244 1.155 -3.675 1.00 0.00 H new ATOM 0 HB3 LEU A 13 0.792 -0.235 -2.759 1.00 0.00 H new ATOM 0 HG LEU A 13 0.169 2.488 -1.579 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -1.825 1.383 -0.645 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -1.842 1.381 -2.425 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -1.415 -0.102 -1.537 1.00 0.00 H new ATOM 0 HD21 LEU A 13 0.313 1.315 0.584 1.00 0.00 H new ATOM 0 HD22 LEU A 13 0.806 -0.172 -0.260 1.00 0.00 H new ATOM 0 HD23 LEU A 13 1.858 1.263 -0.299 1.00 0.00 H new ATOM 169 N GLY A 14 2.710 1.004 -5.369 1.00 0.00 N ATOM 170 CA GLY A 14 3.264 0.338 -6.533 1.00 0.00 C ATOM 171 C GLY A 14 2.305 -0.668 -7.137 1.00 0.00 C ATOM 172 O GLY A 14 2.725 -1.688 -7.683 1.00 0.00 O ATOM 0 H GLY A 14 2.185 1.855 -5.572 1.00 0.00 H new ATOM 0 HA2 GLY A 14 3.524 1.083 -7.284 1.00 0.00 H new ATOM 0 HA3 GLY A 14 4.188 -0.168 -6.253 1.00 0.00 H new ATOM 176 N VAL A 15 1.010 -0.382 -7.038 1.00 0.00 N ATOM 177 CA VAL A 15 -0.012 -1.270 -7.578 1.00 0.00 C ATOM 178 C VAL A 15 -0.770 -0.604 -8.721 1.00 0.00 C ATOM 179 O VAL A 15 -0.892 0.619 -8.788 1.00 0.00 O ATOM 180 CB VAL A 15 -1.016 -1.697 -6.491 1.00 0.00 C ATOM 181 CG1 VAL A 15 -0.436 -2.814 -5.637 1.00 0.00 C ATOM 182 CG2 VAL A 15 -1.408 -0.506 -5.630 1.00 0.00 C ATOM 0 H VAL A 15 0.645 0.458 -6.589 1.00 0.00 H new ATOM 0 HA VAL A 15 0.503 -2.154 -7.954 1.00 0.00 H new ATOM 0 HB VAL A 15 -1.914 -2.074 -6.980 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -1.160 -3.102 -4.875 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -0.211 -3.674 -6.267 1.00 0.00 H new ATOM 0 HG13 VAL A 15 0.479 -2.467 -5.156 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -2.118 -0.826 -4.867 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -0.520 -0.096 -5.150 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -1.868 0.259 -6.255 1.00 0.00 H new ATOM 192 N PRO A 16 -1.294 -1.426 -9.642 1.00 0.00 N ATOM 193 CA PRO A 16 -2.050 -0.939 -10.799 1.00 0.00 C ATOM 194 C PRO A 16 -3.405 -0.361 -10.404 1.00 0.00 C ATOM 195 O PRO A 16 -3.893 -0.594 -9.298 1.00 0.00 O ATOM 196 CB PRO A 16 -2.234 -2.194 -11.656 1.00 0.00 C ATOM 197 CG PRO A 16 -2.155 -3.327 -10.692 1.00 0.00 C ATOM 198 CD PRO A 16 -1.187 -2.895 -9.625 1.00 0.00 C ATOM 0 HA PRO A 16 -1.533 -0.128 -11.312 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -3.193 -2.182 -12.175 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -1.459 -2.269 -12.419 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -3.134 -3.546 -10.266 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -1.812 -4.236 -11.185 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -1.453 -3.306 -8.651 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -0.172 -3.227 -9.845 1.00 0.00 H new ATOM 206 N LYS A 17 -4.008 0.395 -11.315 1.00 0.00 N ATOM 207 CA LYS A 17 -5.308 1.006 -11.064 1.00 0.00 C ATOM 208 C LYS A 17 -6.389 -0.058 -10.905 1.00 0.00 C ATOM 209 O LYS A 17 -7.418 0.178 -10.273 1.00 0.00 O ATOM 210 CB LYS A 17 -5.677 1.956 -12.205 1.00 0.00 C ATOM 211 CG LYS A 17 -4.624 3.016 -12.480 1.00 0.00 C ATOM 212 CD LYS A 17 -4.341 3.853 -11.244 1.00 0.00 C ATOM 213 CE LYS A 17 -3.173 4.802 -11.470 1.00 0.00 C ATOM 214 NZ LYS A 17 -1.862 4.127 -11.264 1.00 0.00 N ATOM 0 H LYS A 17 -3.617 0.599 -12.235 1.00 0.00 H new ATOM 0 HA LYS A 17 -5.241 1.572 -10.135 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -5.840 1.374 -13.112 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -6.621 2.447 -11.967 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -3.704 2.538 -12.815 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -4.960 3.663 -13.290 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -5.230 4.425 -10.979 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -4.121 3.197 -10.402 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -3.221 5.202 -12.483 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -3.256 5.649 -10.789 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -1.152 4.829 -10.974 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -1.957 3.404 -10.523 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -1.561 3.676 -12.151 1.00 0.00 H new ATOM 228 N SER A 18 -6.146 -1.232 -11.480 1.00 0.00 N ATOM 229 CA SER A 18 -7.100 -2.332 -11.404 1.00 0.00 C ATOM 230 C SER A 18 -6.575 -3.444 -10.500 1.00 0.00 C ATOM 231 O SER A 18 -7.044 -4.580 -10.560 1.00 0.00 O ATOM 232 CB SER A 18 -7.384 -2.887 -12.801 1.00 0.00 C ATOM 233 OG SER A 18 -8.682 -3.452 -12.872 1.00 0.00 O ATOM 0 H SER A 18 -5.297 -1.445 -12.003 1.00 0.00 H new ATOM 0 HA SER A 18 -8.027 -1.948 -10.979 1.00 0.00 H new ATOM 0 HB2 SER A 18 -7.290 -2.090 -13.538 1.00 0.00 H new ATOM 0 HB3 SER A 18 -6.641 -3.643 -13.053 1.00 0.00 H new ATOM 0 HG SER A 18 -8.839 -3.798 -13.775 1.00 0.00 H new ATOM 239 N ALA A 19 -5.600 -3.107 -9.663 1.00 0.00 N ATOM 240 CA ALA A 19 -5.012 -4.075 -8.745 1.00 0.00 C ATOM 241 C ALA A 19 -6.077 -4.700 -7.851 1.00 0.00 C ATOM 242 O ALA A 19 -6.916 -3.999 -7.285 1.00 0.00 O ATOM 243 CB ALA A 19 -3.933 -3.413 -7.901 1.00 0.00 C ATOM 0 H ALA A 19 -5.200 -2.171 -9.601 1.00 0.00 H new ATOM 0 HA ALA A 19 -4.558 -4.871 -9.336 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -3.502 -4.147 -7.220 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -3.152 -3.020 -8.552 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -4.371 -2.597 -7.326 1.00 0.00 H new ATOM 249 N SER A 20 -6.039 -6.023 -7.729 1.00 0.00 N ATOM 250 CA SER A 20 -7.004 -6.743 -6.906 1.00 0.00 C ATOM 251 C SER A 20 -6.710 -6.542 -5.423 1.00 0.00 C ATOM 252 O SER A 20 -5.557 -6.384 -5.024 1.00 0.00 O ATOM 253 CB SER A 20 -6.981 -8.235 -7.245 1.00 0.00 C ATOM 254 OG SER A 20 -8.057 -8.915 -6.623 1.00 0.00 O ATOM 0 H SER A 20 -5.350 -6.618 -8.190 1.00 0.00 H new ATOM 0 HA SER A 20 -7.996 -6.344 -7.119 1.00 0.00 H new ATOM 0 HB2 SER A 20 -7.039 -8.367 -8.325 1.00 0.00 H new ATOM 0 HB3 SER A 20 -6.036 -8.670 -6.921 1.00 0.00 H new ATOM 0 HG SER A 20 -8.021 -9.866 -6.856 1.00 0.00 H new ATOM 260 N GLU A 21 -7.763 -6.550 -4.611 1.00 0.00 N ATOM 261 CA GLU A 21 -7.619 -6.368 -3.172 1.00 0.00 C ATOM 262 C GLU A 21 -6.401 -7.123 -2.647 1.00 0.00 C ATOM 263 O GLU A 21 -5.630 -6.597 -1.845 1.00 0.00 O ATOM 264 CB GLU A 21 -8.879 -6.844 -2.446 1.00 0.00 C ATOM 265 CG GLU A 21 -8.864 -6.565 -0.953 1.00 0.00 C ATOM 266 CD GLU A 21 -10.133 -7.023 -0.260 1.00 0.00 C ATOM 267 OE1 GLU A 21 -10.275 -8.242 -0.029 1.00 0.00 O ATOM 268 OE2 GLU A 21 -10.983 -6.163 0.050 1.00 0.00 O ATOM 0 H GLU A 21 -8.724 -6.681 -4.926 1.00 0.00 H new ATOM 0 HA GLU A 21 -7.477 -5.305 -2.979 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -9.749 -6.358 -2.889 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -8.997 -7.916 -2.605 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -8.007 -7.066 -0.502 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -8.730 -5.496 -0.788 1.00 0.00 H new ATOM 275 N ARG A 22 -6.236 -8.359 -3.106 1.00 0.00 N ATOM 276 CA ARG A 22 -5.113 -9.188 -2.683 1.00 0.00 C ATOM 277 C ARG A 22 -3.788 -8.579 -3.133 1.00 0.00 C ATOM 278 O ARG A 22 -2.786 -8.657 -2.422 1.00 0.00 O ATOM 279 CB ARG A 22 -5.255 -10.602 -3.247 1.00 0.00 C ATOM 280 CG ARG A 22 -5.271 -10.654 -4.766 1.00 0.00 C ATOM 281 CD ARG A 22 -5.202 -12.084 -5.276 1.00 0.00 C ATOM 282 NE ARG A 22 -3.825 -12.550 -5.418 1.00 0.00 N ATOM 283 CZ ARG A 22 -2.968 -12.051 -6.301 1.00 0.00 C ATOM 284 NH1 ARG A 22 -3.344 -11.076 -7.118 1.00 0.00 N ATOM 285 NH2 ARG A 22 -1.731 -12.527 -6.370 1.00 0.00 N ATOM 0 H ARG A 22 -6.865 -8.809 -3.771 1.00 0.00 H new ATOM 0 HA ARG A 22 -5.119 -9.237 -1.594 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -4.432 -11.215 -2.880 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -6.176 -11.045 -2.867 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -6.178 -10.178 -5.138 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -4.428 -10.085 -5.159 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -5.737 -12.740 -4.589 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -5.708 -12.150 -6.239 1.00 0.00 H new ATOM 0 HE ARG A 22 -3.504 -13.300 -4.805 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -4.294 -10.707 -7.069 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -2.683 -10.695 -7.795 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -1.438 -13.277 -5.744 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -1.074 -12.143 -7.049 1.00 0.00 H new ATOM 299 N GLN A 23 -3.792 -7.975 -4.316 1.00 0.00 N ATOM 300 CA GLN A 23 -2.590 -7.354 -4.861 1.00 0.00 C ATOM 301 C GLN A 23 -2.209 -6.112 -4.062 1.00 0.00 C ATOM 302 O GLN A 23 -1.044 -5.923 -3.710 1.00 0.00 O ATOM 303 CB GLN A 23 -2.802 -6.985 -6.330 1.00 0.00 C ATOM 304 CG GLN A 23 -2.680 -8.167 -7.278 1.00 0.00 C ATOM 305 CD GLN A 23 -2.537 -7.742 -8.726 1.00 0.00 C ATOM 306 OE1 GLN A 23 -1.775 -6.829 -9.044 1.00 0.00 O ATOM 307 NE2 GLN A 23 -3.272 -8.403 -9.613 1.00 0.00 N ATOM 0 H GLN A 23 -4.614 -7.902 -4.916 1.00 0.00 H new ATOM 0 HA GLN A 23 -1.775 -8.074 -4.789 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -3.790 -6.538 -6.445 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -2.074 -6.225 -6.614 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -1.817 -8.769 -6.993 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -3.560 -8.803 -7.175 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -3.891 -9.153 -9.305 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -3.218 -8.160 -10.602 1.00 0.00 H new ATOM 316 N ILE A 24 -3.197 -5.270 -3.779 1.00 0.00 N ATOM 317 CA ILE A 24 -2.964 -4.047 -3.021 1.00 0.00 C ATOM 318 C ILE A 24 -2.309 -4.349 -1.678 1.00 0.00 C ATOM 319 O ILE A 24 -1.186 -3.922 -1.412 1.00 0.00 O ATOM 320 CB ILE A 24 -4.276 -3.277 -2.779 1.00 0.00 C ATOM 321 CG1 ILE A 24 -4.912 -2.877 -4.112 1.00 0.00 C ATOM 322 CG2 ILE A 24 -4.018 -2.049 -1.919 1.00 0.00 C ATOM 323 CD1 ILE A 24 -6.401 -2.630 -4.021 1.00 0.00 C ATOM 0 H ILE A 24 -4.166 -5.412 -4.063 1.00 0.00 H new ATOM 0 HA ILE A 24 -2.294 -3.428 -3.618 1.00 0.00 H new ATOM 0 HB ILE A 24 -4.970 -3.929 -2.248 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -4.424 -1.975 -4.482 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -4.726 -3.663 -4.844 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -4.954 -1.515 -1.757 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -3.605 -2.358 -0.959 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -3.309 -1.393 -2.425 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -6.784 -2.351 -5.002 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -6.900 -3.537 -3.681 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -6.593 -1.824 -3.313 1.00 0.00 H new ATOM 335 N LYS A 25 -3.019 -5.090 -0.833 1.00 0.00 N ATOM 336 CA LYS A 25 -2.507 -5.454 0.483 1.00 0.00 C ATOM 337 C LYS A 25 -1.171 -6.180 0.365 1.00 0.00 C ATOM 338 O LYS A 25 -0.272 -5.986 1.184 1.00 0.00 O ATOM 339 CB LYS A 25 -3.517 -6.336 1.219 1.00 0.00 C ATOM 340 CG LYS A 25 -3.684 -7.714 0.602 1.00 0.00 C ATOM 341 CD LYS A 25 -4.794 -8.498 1.282 1.00 0.00 C ATOM 342 CE LYS A 25 -6.168 -7.987 0.875 1.00 0.00 C ATOM 343 NZ LYS A 25 -7.237 -8.489 1.782 1.00 0.00 N ATOM 0 H LYS A 25 -3.951 -5.450 -1.037 1.00 0.00 H new ATOM 0 HA LYS A 25 -2.352 -4.537 1.052 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -3.201 -6.447 2.256 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -4.484 -5.833 1.232 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -3.906 -7.614 -0.460 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -2.747 -8.265 0.681 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -4.706 -9.553 1.024 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -4.683 -8.424 2.364 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -6.167 -6.897 0.883 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -6.383 -8.298 -0.147 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -8.158 -8.119 1.471 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -7.255 -9.529 1.755 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -7.046 -8.171 2.753 1.00 0.00 H new ATOM 357 N LYS A 26 -1.046 -7.017 -0.659 1.00 0.00 N ATOM 358 CA LYS A 26 0.181 -7.771 -0.887 1.00 0.00 C ATOM 359 C LYS A 26 1.364 -6.833 -1.104 1.00 0.00 C ATOM 360 O LYS A 26 2.398 -6.962 -0.449 1.00 0.00 O ATOM 361 CB LYS A 26 0.020 -8.694 -2.097 1.00 0.00 C ATOM 362 CG LYS A 26 -0.516 -10.071 -1.744 1.00 0.00 C ATOM 363 CD LYS A 26 -0.750 -10.913 -2.987 1.00 0.00 C ATOM 364 CE LYS A 26 -1.455 -12.219 -2.651 1.00 0.00 C ATOM 365 NZ LYS A 26 -0.602 -13.111 -1.818 1.00 0.00 N ATOM 0 H LYS A 26 -1.780 -7.191 -1.345 1.00 0.00 H new ATOM 0 HA LYS A 26 0.376 -8.375 -0.001 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -0.653 -8.224 -2.815 1.00 0.00 H new ATOM 0 HB3 LYS A 26 0.986 -8.805 -2.590 1.00 0.00 H new ATOM 0 HG2 LYS A 26 0.189 -10.579 -1.086 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -1.450 -9.968 -1.192 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -1.348 -10.349 -3.703 1.00 0.00 H new ATOM 0 HD3 LYS A 26 0.204 -11.127 -3.468 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -2.383 -12.005 -2.121 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -1.726 -12.733 -3.573 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -1.097 -14.010 -1.653 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 0.294 -13.295 -2.312 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -0.406 -12.651 -0.906 1.00 0.00 H new ATOM 379 N ALA A 27 1.204 -5.889 -2.025 1.00 0.00 N ATOM 380 CA ALA A 27 2.257 -4.928 -2.325 1.00 0.00 C ATOM 381 C ALA A 27 2.572 -4.061 -1.111 1.00 0.00 C ATOM 382 O ALA A 27 3.728 -3.936 -0.707 1.00 0.00 O ATOM 383 CB ALA A 27 1.856 -4.057 -3.507 1.00 0.00 C ATOM 0 H ALA A 27 0.354 -5.769 -2.577 1.00 0.00 H new ATOM 0 HA ALA A 27 3.158 -5.484 -2.586 1.00 0.00 H new ATOM 0 HB1 ALA A 27 2.652 -3.344 -3.720 1.00 0.00 H new ATOM 0 HB2 ALA A 27 1.688 -4.685 -4.382 1.00 0.00 H new ATOM 0 HB3 ALA A 27 0.940 -3.517 -3.267 1.00 0.00 H new ATOM 389 N PHE A 28 1.535 -3.464 -0.531 1.00 0.00 N ATOM 390 CA PHE A 28 1.702 -2.607 0.637 1.00 0.00 C ATOM 391 C PHE A 28 2.500 -3.320 1.725 1.00 0.00 C ATOM 392 O PHE A 28 3.597 -2.893 2.086 1.00 0.00 O ATOM 393 CB PHE A 28 0.337 -2.184 1.184 1.00 0.00 C ATOM 394 CG PHE A 28 0.412 -1.500 2.519 1.00 0.00 C ATOM 395 CD1 PHE A 28 1.448 -0.626 2.807 1.00 0.00 C ATOM 396 CD2 PHE A 28 -0.553 -1.731 3.486 1.00 0.00 C ATOM 397 CE1 PHE A 28 1.520 0.006 4.034 1.00 0.00 C ATOM 398 CE2 PHE A 28 -0.486 -1.102 4.715 1.00 0.00 C ATOM 399 CZ PHE A 28 0.553 -0.233 4.990 1.00 0.00 C ATOM 0 H PHE A 28 0.571 -3.558 -0.851 1.00 0.00 H new ATOM 0 HA PHE A 28 2.254 -1.719 0.330 1.00 0.00 H new ATOM 0 HB2 PHE A 28 -0.141 -1.515 0.468 1.00 0.00 H new ATOM 0 HB3 PHE A 28 -0.299 -3.065 1.271 1.00 0.00 H new ATOM 0 HD1 PHE A 28 2.208 -0.436 2.064 1.00 0.00 H new ATOM 0 HD2 PHE A 28 -1.366 -2.410 3.277 1.00 0.00 H new ATOM 0 HE1 PHE A 28 2.332 0.686 4.245 1.00 0.00 H new ATOM 0 HE2 PHE A 28 -1.245 -1.289 5.460 1.00 0.00 H new ATOM 0 HZ PHE A 28 0.608 0.258 5.950 1.00 0.00 H new ATOM 409 N HIS A 29 1.941 -4.408 2.244 1.00 0.00 N ATOM 410 CA HIS A 29 2.600 -5.181 3.290 1.00 0.00 C ATOM 411 C HIS A 29 4.113 -5.175 3.100 1.00 0.00 C ATOM 412 O HIS A 29 4.853 -4.655 3.935 1.00 0.00 O ATOM 413 CB HIS A 29 2.081 -6.619 3.295 1.00 0.00 C ATOM 414 CG HIS A 29 0.782 -6.785 4.023 1.00 0.00 C ATOM 415 ND1 HIS A 29 0.560 -7.784 4.948 1.00 0.00 N ATOM 416 CD2 HIS A 29 -0.366 -6.072 3.959 1.00 0.00 C ATOM 417 CE1 HIS A 29 -0.669 -7.678 5.420 1.00 0.00 C ATOM 418 NE2 HIS A 29 -1.252 -6.647 4.837 1.00 0.00 N ATOM 0 H HIS A 29 1.033 -4.774 1.957 1.00 0.00 H new ATOM 0 HA HIS A 29 2.370 -4.716 4.249 1.00 0.00 H new ATOM 0 HB2 HIS A 29 1.957 -6.955 2.266 1.00 0.00 H new ATOM 0 HB3 HIS A 29 2.830 -7.265 3.753 1.00 0.00 H new ATOM 0 HD2 HIS A 29 -0.551 -5.211 3.334 1.00 0.00 H new ATOM 0 HE1 HIS A 29 -1.120 -8.325 6.158 1.00 0.00 H new ATOM 0 HE2 HIS A 29 -2.206 -6.329 5.010 1.00 0.00 H new ATOM 426 N LYS A 30 4.568 -5.756 1.995 1.00 0.00 N ATOM 427 CA LYS A 30 5.993 -5.817 1.693 1.00 0.00 C ATOM 428 C LYS A 30 6.657 -4.463 1.923 1.00 0.00 C ATOM 429 O LYS A 30 7.690 -4.372 2.587 1.00 0.00 O ATOM 430 CB LYS A 30 6.210 -6.264 0.245 1.00 0.00 C ATOM 431 CG LYS A 30 5.725 -7.676 -0.034 1.00 0.00 C ATOM 432 CD LYS A 30 6.110 -8.131 -1.432 1.00 0.00 C ATOM 433 CE LYS A 30 5.312 -7.394 -2.497 1.00 0.00 C ATOM 434 NZ LYS A 30 5.857 -7.633 -3.863 1.00 0.00 N ATOM 0 H LYS A 30 3.970 -6.192 1.293 1.00 0.00 H new ATOM 0 HA LYS A 30 6.450 -6.544 2.364 1.00 0.00 H new ATOM 0 HB2 LYS A 30 5.693 -5.573 -0.421 1.00 0.00 H new ATOM 0 HB3 LYS A 30 7.272 -6.200 0.009 1.00 0.00 H new ATOM 0 HG2 LYS A 30 6.149 -8.359 0.702 1.00 0.00 H new ATOM 0 HG3 LYS A 30 4.642 -7.719 0.078 1.00 0.00 H new ATOM 0 HD2 LYS A 30 7.175 -7.961 -1.591 1.00 0.00 H new ATOM 0 HD3 LYS A 30 5.941 -9.204 -1.526 1.00 0.00 H new ATOM 0 HE2 LYS A 30 4.272 -7.717 -2.459 1.00 0.00 H new ATOM 0 HE3 LYS A 30 5.322 -6.325 -2.284 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 5.286 -7.114 -4.560 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 6.842 -7.302 -3.907 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 5.824 -8.650 -4.077 1.00 0.00 H new ATOM 448 N LEU A 31 6.057 -3.414 1.371 1.00 0.00 N ATOM 449 CA LEU A 31 6.589 -2.064 1.517 1.00 0.00 C ATOM 450 C LEU A 31 6.701 -1.680 2.989 1.00 0.00 C ATOM 451 O LEU A 31 7.797 -1.449 3.499 1.00 0.00 O ATOM 452 CB LEU A 31 5.698 -1.061 0.783 1.00 0.00 C ATOM 453 CG LEU A 31 5.806 -1.058 -0.742 1.00 0.00 C ATOM 454 CD1 LEU A 31 4.676 -0.246 -1.356 1.00 0.00 C ATOM 455 CD2 LEU A 31 7.157 -0.511 -1.180 1.00 0.00 C ATOM 0 H LEU A 31 5.202 -3.473 0.818 1.00 0.00 H new ATOM 0 HA LEU A 31 7.586 -2.043 1.078 1.00 0.00 H new ATOM 0 HB2 LEU A 31 4.661 -1.261 1.053 1.00 0.00 H new ATOM 0 HB3 LEU A 31 5.935 -0.061 1.146 1.00 0.00 H new ATOM 0 HG LEU A 31 5.721 -2.086 -1.095 1.00 0.00 H new ATOM 0 HD11 LEU A 31 4.770 -0.255 -2.442 1.00 0.00 H new ATOM 0 HD12 LEU A 31 3.718 -0.681 -1.071 1.00 0.00 H new ATOM 0 HD13 LEU A 31 4.729 0.782 -0.996 1.00 0.00 H new ATOM 0 HD21 LEU A 31 7.216 -0.516 -2.268 1.00 0.00 H new ATOM 0 HD22 LEU A 31 7.272 0.510 -0.815 1.00 0.00 H new ATOM 0 HD23 LEU A 31 7.952 -1.134 -0.770 1.00 0.00 H new ATOM 467 N ALA A 32 5.560 -1.614 3.667 1.00 0.00 N ATOM 468 CA ALA A 32 5.531 -1.262 5.081 1.00 0.00 C ATOM 469 C ALA A 32 6.734 -1.843 5.817 1.00 0.00 C ATOM 470 O ALA A 32 7.284 -1.214 6.720 1.00 0.00 O ATOM 471 CB ALA A 32 4.236 -1.745 5.718 1.00 0.00 C ATOM 0 H ALA A 32 4.643 -1.800 3.260 1.00 0.00 H new ATOM 0 HA ALA A 32 5.580 -0.176 5.161 1.00 0.00 H new ATOM 0 HB1 ALA A 32 4.227 -1.476 6.774 1.00 0.00 H new ATOM 0 HB2 ALA A 32 3.388 -1.278 5.217 1.00 0.00 H new ATOM 0 HB3 ALA A 32 4.164 -2.828 5.619 1.00 0.00 H new ATOM 477 N MET A 33 7.136 -3.048 5.425 1.00 0.00 N ATOM 478 CA MET A 33 8.274 -3.713 6.048 1.00 0.00 C ATOM 479 C MET A 33 9.571 -2.971 5.742 1.00 0.00 C ATOM 480 O MET A 33 10.402 -2.762 6.626 1.00 0.00 O ATOM 481 CB MET A 33 8.375 -5.160 5.562 1.00 0.00 C ATOM 482 CG MET A 33 7.118 -5.976 5.819 1.00 0.00 C ATOM 483 SD MET A 33 6.365 -5.608 7.415 1.00 0.00 S ATOM 484 CE MET A 33 4.627 -5.772 7.016 1.00 0.00 C ATOM 0 H MET A 33 6.691 -3.583 4.679 1.00 0.00 H new ATOM 0 HA MET A 33 8.119 -3.709 7.127 1.00 0.00 H new ATOM 0 HB2 MET A 33 8.587 -5.162 4.493 1.00 0.00 H new ATOM 0 HB3 MET A 33 9.219 -5.642 6.055 1.00 0.00 H new ATOM 0 HG2 MET A 33 6.395 -5.781 5.027 1.00 0.00 H new ATOM 0 HG3 MET A 33 7.363 -7.037 5.773 1.00 0.00 H new ATOM 0 HE1 MET A 33 4.107 -6.252 7.845 1.00 0.00 H new ATOM 0 HE2 MET A 33 4.199 -4.785 6.842 1.00 0.00 H new ATOM 0 HE3 MET A 33 4.516 -6.379 6.117 1.00 0.00 H new ATOM 494 N LYS A 34 9.739 -2.574 4.485 1.00 0.00 N ATOM 495 CA LYS A 34 10.934 -1.854 4.062 1.00 0.00 C ATOM 496 C LYS A 34 10.985 -0.466 4.694 1.00 0.00 C ATOM 497 O LYS A 34 12.056 0.126 4.828 1.00 0.00 O ATOM 498 CB LYS A 34 10.969 -1.734 2.537 1.00 0.00 C ATOM 499 CG LYS A 34 12.302 -1.245 1.996 1.00 0.00 C ATOM 500 CD LYS A 34 12.250 -1.036 0.492 1.00 0.00 C ATOM 501 CE LYS A 34 13.215 0.052 0.047 1.00 0.00 C ATOM 502 NZ LYS A 34 14.593 -0.476 -0.154 1.00 0.00 N ATOM 0 H LYS A 34 9.061 -2.739 3.741 1.00 0.00 H new ATOM 0 HA LYS A 34 11.805 -2.418 4.396 1.00 0.00 H new ATOM 0 HB2 LYS A 34 10.743 -2.706 2.099 1.00 0.00 H new ATOM 0 HB3 LYS A 34 10.183 -1.050 2.217 1.00 0.00 H new ATOM 0 HG2 LYS A 34 12.573 -0.309 2.485 1.00 0.00 H new ATOM 0 HG3 LYS A 34 13.081 -1.968 2.237 1.00 0.00 H new ATOM 0 HD2 LYS A 34 12.494 -1.970 -0.015 1.00 0.00 H new ATOM 0 HD3 LYS A 34 11.236 -0.768 0.196 1.00 0.00 H new ATOM 0 HE2 LYS A 34 12.858 0.497 -0.882 1.00 0.00 H new ATOM 0 HE3 LYS A 34 13.236 0.846 0.793 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 15.220 0.296 -0.457 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 14.945 -0.878 0.739 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 14.578 -1.216 -0.884 1.00 0.00 H new ATOM 516 N TYR A 35 9.822 0.046 5.081 1.00 0.00 N ATOM 517 CA TYR A 35 9.735 1.364 5.697 1.00 0.00 C ATOM 518 C TYR A 35 9.208 1.263 7.125 1.00 0.00 C ATOM 519 O TYR A 35 8.785 2.258 7.715 1.00 0.00 O ATOM 520 CB TYR A 35 8.828 2.277 4.871 1.00 0.00 C ATOM 521 CG TYR A 35 9.389 2.614 3.507 1.00 0.00 C ATOM 522 CD1 TYR A 35 10.289 3.660 3.344 1.00 0.00 C ATOM 523 CD2 TYR A 35 9.017 1.888 2.383 1.00 0.00 C ATOM 524 CE1 TYR A 35 10.803 3.972 2.100 1.00 0.00 C ATOM 525 CE2 TYR A 35 9.527 2.192 1.136 1.00 0.00 C ATOM 526 CZ TYR A 35 10.420 3.235 1.000 1.00 0.00 C ATOM 527 OH TYR A 35 10.929 3.542 -0.241 1.00 0.00 O ATOM 0 H TYR A 35 8.927 -0.432 4.979 1.00 0.00 H new ATOM 0 HA TYR A 35 10.738 1.790 5.727 1.00 0.00 H new ATOM 0 HB2 TYR A 35 7.858 1.796 4.747 1.00 0.00 H new ATOM 0 HB3 TYR A 35 8.657 3.201 5.423 1.00 0.00 H new ATOM 0 HD1 TYR A 35 10.592 4.239 4.204 1.00 0.00 H new ATOM 0 HD2 TYR A 35 8.317 1.072 2.486 1.00 0.00 H new ATOM 0 HE1 TYR A 35 11.501 4.789 1.990 1.00 0.00 H new ATOM 0 HE2 TYR A 35 9.228 1.617 0.272 1.00 0.00 H new ATOM 0 HH TYR A 35 10.559 2.927 -0.908 1.00 0.00 H new ATOM 537 N HIS A 36 9.238 0.054 7.677 1.00 0.00 N ATOM 538 CA HIS A 36 8.766 -0.178 9.037 1.00 0.00 C ATOM 539 C HIS A 36 9.724 0.430 10.056 1.00 0.00 C ATOM 540 O HIS A 36 10.945 0.349 9.922 1.00 0.00 O ATOM 541 CB HIS A 36 8.611 -1.677 9.296 1.00 0.00 C ATOM 542 CG HIS A 36 7.528 -2.006 10.278 1.00 0.00 C ATOM 543 ND1 HIS A 36 7.722 -1.994 11.643 1.00 0.00 N ATOM 544 CD2 HIS A 36 6.235 -2.356 10.086 1.00 0.00 C ATOM 545 CE1 HIS A 36 6.595 -2.324 12.248 1.00 0.00 C ATOM 546 NE2 HIS A 36 5.677 -2.548 11.325 1.00 0.00 N ATOM 0 H HIS A 36 9.584 -0.780 7.203 1.00 0.00 H new ATOM 0 HA HIS A 36 7.795 0.305 9.146 1.00 0.00 H new ATOM 0 HB2 HIS A 36 8.400 -2.181 8.353 1.00 0.00 H new ATOM 0 HB3 HIS A 36 9.557 -2.074 9.664 1.00 0.00 H new ATOM 0 HD2 HIS A 36 5.735 -2.464 9.135 1.00 0.00 H new ATOM 0 HE1 HIS A 36 6.449 -2.398 13.316 1.00 0.00 H new ATOM 0 HE2 HIS A 36 4.710 -2.820 11.504 1.00 0.00 H new ATOM 554 N PRO A 37 9.160 1.056 11.100 1.00 0.00 N ATOM 555 CA PRO A 37 9.946 1.690 12.162 1.00 0.00 C ATOM 556 C PRO A 37 10.667 0.671 13.037 1.00 0.00 C ATOM 557 O PRO A 37 11.707 0.969 13.626 1.00 0.00 O ATOM 558 CB PRO A 37 8.895 2.447 12.978 1.00 0.00 C ATOM 559 CG PRO A 37 7.623 1.711 12.732 1.00 0.00 C ATOM 560 CD PRO A 37 7.711 1.191 11.324 1.00 0.00 C ATOM 0 HA PRO A 37 10.734 2.327 11.760 1.00 0.00 H new ATOM 0 HB2 PRO A 37 9.148 2.457 14.038 1.00 0.00 H new ATOM 0 HB3 PRO A 37 8.819 3.486 12.659 1.00 0.00 H new ATOM 0 HG2 PRO A 37 7.501 0.894 13.443 1.00 0.00 H new ATOM 0 HG3 PRO A 37 6.762 2.369 12.852 1.00 0.00 H new ATOM 0 HD2 PRO A 37 7.197 0.236 11.216 1.00 0.00 H new ATOM 0 HD3 PRO A 37 7.257 1.880 10.612 1.00 0.00 H new ATOM 568 N ASP A 38 10.109 -0.532 13.119 1.00 0.00 N ATOM 569 CA ASP A 38 10.701 -1.596 13.921 1.00 0.00 C ATOM 570 C ASP A 38 11.975 -2.124 13.270 1.00 0.00 C ATOM 571 O ASP A 38 12.899 -2.564 13.955 1.00 0.00 O ATOM 572 CB ASP A 38 9.700 -2.738 14.110 1.00 0.00 C ATOM 573 CG ASP A 38 8.375 -2.259 14.669 1.00 0.00 C ATOM 574 OD1 ASP A 38 8.008 -1.094 14.410 1.00 0.00 O ATOM 575 OD2 ASP A 38 7.704 -3.049 15.366 1.00 0.00 O ATOM 0 H ASP A 38 9.248 -0.794 12.640 1.00 0.00 H new ATOM 0 HA ASP A 38 10.958 -1.182 14.896 1.00 0.00 H new ATOM 0 HB2 ASP A 38 9.530 -3.231 13.153 1.00 0.00 H new ATOM 0 HB3 ASP A 38 10.126 -3.484 14.781 1.00 0.00 H new ATOM 580 N LYS A 39 12.019 -2.078 11.943 1.00 0.00 N ATOM 581 CA LYS A 39 13.180 -2.550 11.198 1.00 0.00 C ATOM 582 C LYS A 39 14.025 -1.379 10.708 1.00 0.00 C ATOM 583 O LYS A 39 15.212 -1.286 11.017 1.00 0.00 O ATOM 584 CB LYS A 39 12.735 -3.405 10.009 1.00 0.00 C ATOM 585 CG LYS A 39 11.882 -4.599 10.402 1.00 0.00 C ATOM 586 CD LYS A 39 10.411 -4.229 10.488 1.00 0.00 C ATOM 587 CE LYS A 39 9.602 -5.318 11.177 1.00 0.00 C ATOM 588 NZ LYS A 39 9.391 -6.496 10.292 1.00 0.00 N ATOM 0 H LYS A 39 11.263 -1.718 11.361 1.00 0.00 H new ATOM 0 HA LYS A 39 13.788 -3.158 11.868 1.00 0.00 H new ATOM 0 HB2 LYS A 39 12.173 -2.781 9.314 1.00 0.00 H new ATOM 0 HB3 LYS A 39 13.618 -3.759 9.477 1.00 0.00 H new ATOM 0 HG2 LYS A 39 12.015 -5.398 9.673 1.00 0.00 H new ATOM 0 HG3 LYS A 39 12.218 -4.986 11.364 1.00 0.00 H new ATOM 0 HD2 LYS A 39 10.302 -3.292 11.034 1.00 0.00 H new ATOM 0 HD3 LYS A 39 10.018 -4.061 9.485 1.00 0.00 H new ATOM 0 HE2 LYS A 39 10.117 -5.633 12.085 1.00 0.00 H new ATOM 0 HE3 LYS A 39 8.636 -4.915 11.482 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 8.836 -7.215 10.798 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 8.878 -6.200 9.437 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 10.312 -6.896 10.022 1.00 0.00 H new ATOM 602 N ASN A 40 13.405 -0.486 9.943 1.00 0.00 N ATOM 603 CA ASN A 40 14.101 0.680 9.412 1.00 0.00 C ATOM 604 C ASN A 40 14.674 1.533 10.540 1.00 0.00 C ATOM 605 O ASN A 40 13.971 1.878 11.490 1.00 0.00 O ATOM 606 CB ASN A 40 13.152 1.519 8.554 1.00 0.00 C ATOM 607 CG ASN A 40 13.882 2.295 7.474 1.00 0.00 C ATOM 608 OD1 ASN A 40 14.816 3.045 7.757 1.00 0.00 O ATOM 609 ND2 ASN A 40 13.456 2.117 6.229 1.00 0.00 N ATOM 0 H ASN A 40 12.422 -0.548 9.677 1.00 0.00 H new ATOM 0 HA ASN A 40 14.926 0.329 8.792 1.00 0.00 H new ATOM 0 HB2 ASN A 40 12.412 0.866 8.091 1.00 0.00 H new ATOM 0 HB3 ASN A 40 12.608 2.215 9.193 1.00 0.00 H new ATOM 0 HD21 ASN A 40 13.907 2.612 5.460 1.00 0.00 H new ATOM 0 HD22 ASN A 40 12.678 1.485 6.042 1.00 0.00 H new ATOM 616 N LYS A 41 15.954 1.870 10.427 1.00 0.00 N ATOM 617 CA LYS A 41 16.622 2.684 11.435 1.00 0.00 C ATOM 618 C LYS A 41 16.470 4.170 11.124 1.00 0.00 C ATOM 619 O LYS A 41 16.172 4.972 12.008 1.00 0.00 O ATOM 620 CB LYS A 41 18.106 2.318 11.515 1.00 0.00 C ATOM 621 CG LYS A 41 18.356 0.883 11.945 1.00 0.00 C ATOM 622 CD LYS A 41 19.690 0.371 11.429 1.00 0.00 C ATOM 623 CE LYS A 41 19.561 -0.209 10.029 1.00 0.00 C ATOM 624 NZ LYS A 41 18.831 -1.506 10.031 1.00 0.00 N ATOM 0 H LYS A 41 16.550 1.592 9.647 1.00 0.00 H new ATOM 0 HA LYS A 41 16.152 2.483 12.398 1.00 0.00 H new ATOM 0 HB2 LYS A 41 18.565 2.482 10.540 1.00 0.00 H new ATOM 0 HB3 LYS A 41 18.600 2.990 12.217 1.00 0.00 H new ATOM 0 HG2 LYS A 41 18.337 0.820 13.033 1.00 0.00 H new ATOM 0 HG3 LYS A 41 17.553 0.246 11.575 1.00 0.00 H new ATOM 0 HD2 LYS A 41 20.415 1.185 11.421 1.00 0.00 H new ATOM 0 HD3 LYS A 41 20.075 -0.392 12.106 1.00 0.00 H new ATOM 0 HE2 LYS A 41 19.038 0.501 9.389 1.00 0.00 H new ATOM 0 HE3 LYS A 41 20.554 -0.352 9.602 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 19.021 -2.013 9.143 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 19.151 -2.083 10.835 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 17.810 -1.329 10.117 1.00 0.00 H new ATOM 638 N SER A 42 16.675 4.529 9.860 1.00 0.00 N ATOM 639 CA SER A 42 16.564 5.918 9.432 1.00 0.00 C ATOM 640 C SER A 42 15.290 6.554 9.980 1.00 0.00 C ATOM 641 O SER A 42 14.243 5.916 10.087 1.00 0.00 O ATOM 642 CB SER A 42 16.575 6.006 7.905 1.00 0.00 C ATOM 643 OG SER A 42 17.896 6.140 7.412 1.00 0.00 O ATOM 0 H SER A 42 16.919 3.876 9.115 1.00 0.00 H new ATOM 0 HA SER A 42 17.421 6.464 9.826 1.00 0.00 H new ATOM 0 HB2 SER A 42 16.115 5.113 7.483 1.00 0.00 H new ATOM 0 HB3 SER A 42 15.975 6.857 7.582 1.00 0.00 H new ATOM 0 HG SER A 42 17.876 6.192 6.434 1.00 0.00 H new ATOM 649 N PRO A 43 15.380 7.844 10.336 1.00 0.00 N ATOM 650 CA PRO A 43 14.244 8.597 10.879 1.00 0.00 C ATOM 651 C PRO A 43 13.169 8.860 9.831 1.00 0.00 C ATOM 652 O PRO A 43 11.987 8.979 10.156 1.00 0.00 O ATOM 653 CB PRO A 43 14.878 9.913 11.337 1.00 0.00 C ATOM 654 CG PRO A 43 16.094 10.063 10.491 1.00 0.00 C ATOM 655 CD PRO A 43 16.596 8.668 10.236 1.00 0.00 C ATOM 0 HA PRO A 43 13.737 8.052 11.675 1.00 0.00 H new ATOM 0 HB2 PRO A 43 14.194 10.751 11.199 1.00 0.00 H new ATOM 0 HB3 PRO A 43 15.134 9.881 12.396 1.00 0.00 H new ATOM 0 HG2 PRO A 43 15.858 10.570 9.555 1.00 0.00 H new ATOM 0 HG3 PRO A 43 16.850 10.663 10.997 1.00 0.00 H new ATOM 0 HD2 PRO A 43 17.060 8.581 9.254 1.00 0.00 H new ATOM 0 HD3 PRO A 43 17.345 8.370 10.970 1.00 0.00 H new ATOM 663 N ASP A 44 13.585 8.948 8.572 1.00 0.00 N ATOM 664 CA ASP A 44 12.656 9.195 7.475 1.00 0.00 C ATOM 665 C ASP A 44 11.681 8.033 7.317 1.00 0.00 C ATOM 666 O ASP A 44 10.511 8.232 6.993 1.00 0.00 O ATOM 667 CB ASP A 44 13.423 9.416 6.170 1.00 0.00 C ATOM 668 CG ASP A 44 14.630 8.507 6.047 1.00 0.00 C ATOM 669 OD1 ASP A 44 14.440 7.301 5.784 1.00 0.00 O ATOM 670 OD2 ASP A 44 15.765 9.002 6.214 1.00 0.00 O ATOM 0 H ASP A 44 14.559 8.852 8.286 1.00 0.00 H new ATOM 0 HA ASP A 44 12.086 10.094 7.709 1.00 0.00 H new ATOM 0 HB2 ASP A 44 12.755 9.244 5.326 1.00 0.00 H new ATOM 0 HB3 ASP A 44 13.747 10.455 6.114 1.00 0.00 H new ATOM 675 N ALA A 45 12.172 6.820 7.547 1.00 0.00 N ATOM 676 CA ALA A 45 11.343 5.626 7.430 1.00 0.00 C ATOM 677 C ALA A 45 9.988 5.831 8.100 1.00 0.00 C ATOM 678 O ALA A 45 8.945 5.711 7.458 1.00 0.00 O ATOM 679 CB ALA A 45 12.058 4.427 8.036 1.00 0.00 C ATOM 0 H ALA A 45 13.139 6.638 7.815 1.00 0.00 H new ATOM 0 HA ALA A 45 11.170 5.435 6.371 1.00 0.00 H new ATOM 0 HB1 ALA A 45 11.428 3.542 7.942 1.00 0.00 H new ATOM 0 HB2 ALA A 45 12.998 4.260 7.511 1.00 0.00 H new ATOM 0 HB3 ALA A 45 12.260 4.618 9.090 1.00 0.00 H new ATOM 685 N GLU A 46 10.013 6.140 9.392 1.00 0.00 N ATOM 686 CA GLU A 46 8.785 6.359 10.148 1.00 0.00 C ATOM 687 C GLU A 46 7.821 7.252 9.372 1.00 0.00 C ATOM 688 O GLU A 46 6.633 6.952 9.262 1.00 0.00 O ATOM 689 CB GLU A 46 9.101 6.990 11.506 1.00 0.00 C ATOM 690 CG GLU A 46 7.871 7.248 12.358 1.00 0.00 C ATOM 691 CD GLU A 46 8.208 7.892 13.689 1.00 0.00 C ATOM 692 OE1 GLU A 46 9.168 7.434 14.343 1.00 0.00 O ATOM 693 OE2 GLU A 46 7.511 8.853 14.077 1.00 0.00 O ATOM 0 H GLU A 46 10.869 6.244 9.937 1.00 0.00 H new ATOM 0 HA GLU A 46 8.309 5.391 10.307 1.00 0.00 H new ATOM 0 HB2 GLU A 46 9.780 6.335 12.052 1.00 0.00 H new ATOM 0 HB3 GLU A 46 9.626 7.932 11.346 1.00 0.00 H new ATOM 0 HG2 GLU A 46 7.183 7.892 11.811 1.00 0.00 H new ATOM 0 HG3 GLU A 46 7.352 6.306 12.535 1.00 0.00 H new ATOM 700 N ALA A 47 8.343 8.351 8.837 1.00 0.00 N ATOM 701 CA ALA A 47 7.530 9.287 8.070 1.00 0.00 C ATOM 702 C ALA A 47 7.010 8.642 6.790 1.00 0.00 C ATOM 703 O ALA A 47 5.813 8.683 6.504 1.00 0.00 O ATOM 704 CB ALA A 47 8.332 10.539 7.745 1.00 0.00 C ATOM 0 H ALA A 47 9.325 8.615 8.921 1.00 0.00 H new ATOM 0 HA ALA A 47 6.671 9.567 8.679 1.00 0.00 H new ATOM 0 HB1 ALA A 47 7.713 11.229 7.172 1.00 0.00 H new ATOM 0 HB2 ALA A 47 8.649 11.019 8.671 1.00 0.00 H new ATOM 0 HB3 ALA A 47 9.210 10.267 7.159 1.00 0.00 H new ATOM 710 N LYS A 48 7.916 8.048 6.022 1.00 0.00 N ATOM 711 CA LYS A 48 7.550 7.393 4.772 1.00 0.00 C ATOM 712 C LYS A 48 6.360 6.461 4.974 1.00 0.00 C ATOM 713 O LYS A 48 5.365 6.542 4.254 1.00 0.00 O ATOM 714 CB LYS A 48 8.739 6.606 4.216 1.00 0.00 C ATOM 715 CG LYS A 48 9.787 7.479 3.548 1.00 0.00 C ATOM 716 CD LYS A 48 9.293 8.026 2.219 1.00 0.00 C ATOM 717 CE LYS A 48 9.635 7.091 1.070 1.00 0.00 C ATOM 718 NZ LYS A 48 9.287 7.685 -0.251 1.00 0.00 N ATOM 0 H LYS A 48 8.911 8.007 6.244 1.00 0.00 H new ATOM 0 HA LYS A 48 7.267 8.165 4.056 1.00 0.00 H new ATOM 0 HB2 LYS A 48 9.206 6.048 5.028 1.00 0.00 H new ATOM 0 HB3 LYS A 48 8.374 5.874 3.495 1.00 0.00 H new ATOM 0 HG2 LYS A 48 10.048 8.306 4.209 1.00 0.00 H new ATOM 0 HG3 LYS A 48 10.696 6.900 3.389 1.00 0.00 H new ATOM 0 HD2 LYS A 48 8.214 8.171 2.263 1.00 0.00 H new ATOM 0 HD3 LYS A 48 9.739 9.004 2.039 1.00 0.00 H new ATOM 0 HE2 LYS A 48 10.700 6.859 1.095 1.00 0.00 H new ATOM 0 HE3 LYS A 48 9.101 6.149 1.197 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 9.627 7.063 -1.012 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 8.255 7.789 -0.324 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 9.736 8.619 -0.341 1.00 0.00 H new ATOM 732 N PHE A 49 6.469 5.575 5.959 1.00 0.00 N ATOM 733 CA PHE A 49 5.401 4.628 6.257 1.00 0.00 C ATOM 734 C PHE A 49 4.082 5.354 6.501 1.00 0.00 C ATOM 735 O PHE A 49 3.005 4.794 6.290 1.00 0.00 O ATOM 736 CB PHE A 49 5.766 3.784 7.481 1.00 0.00 C ATOM 737 CG PHE A 49 4.629 2.946 7.991 1.00 0.00 C ATOM 738 CD1 PHE A 49 4.062 1.965 7.194 1.00 0.00 C ATOM 739 CD2 PHE A 49 4.127 3.139 9.268 1.00 0.00 C ATOM 740 CE1 PHE A 49 3.015 1.193 7.661 1.00 0.00 C ATOM 741 CE2 PHE A 49 3.081 2.370 9.741 1.00 0.00 C ATOM 742 CZ PHE A 49 2.524 1.394 8.936 1.00 0.00 C ATOM 0 H PHE A 49 7.286 5.493 6.564 1.00 0.00 H new ATOM 0 HA PHE A 49 5.280 3.972 5.395 1.00 0.00 H new ATOM 0 HB2 PHE A 49 6.602 3.132 7.227 1.00 0.00 H new ATOM 0 HB3 PHE A 49 6.107 4.444 8.279 1.00 0.00 H new ATOM 0 HD1 PHE A 49 4.442 1.802 6.196 1.00 0.00 H new ATOM 0 HD2 PHE A 49 4.559 3.900 9.901 1.00 0.00 H new ATOM 0 HE1 PHE A 49 2.581 0.433 7.029 1.00 0.00 H new ATOM 0 HE2 PHE A 49 2.699 2.531 10.738 1.00 0.00 H new ATOM 0 HZ PHE A 49 1.707 0.790 9.303 1.00 0.00 H new ATOM 752 N ARG A 50 4.174 6.603 6.945 1.00 0.00 N ATOM 753 CA ARG A 50 2.988 7.405 7.220 1.00 0.00 C ATOM 754 C ARG A 50 2.201 7.668 5.939 1.00 0.00 C ATOM 755 O ARG A 50 1.019 8.007 5.984 1.00 0.00 O ATOM 756 CB ARG A 50 3.383 8.733 7.869 1.00 0.00 C ATOM 757 CG ARG A 50 2.218 9.467 8.512 1.00 0.00 C ATOM 758 CD ARG A 50 1.704 8.731 9.739 1.00 0.00 C ATOM 759 NE ARG A 50 0.709 9.511 10.469 1.00 0.00 N ATOM 760 CZ ARG A 50 -0.064 9.008 11.425 1.00 0.00 C ATOM 761 NH1 ARG A 50 0.044 7.731 11.765 1.00 0.00 N ATOM 762 NH2 ARG A 50 -0.946 9.782 12.044 1.00 0.00 N ATOM 0 H ARG A 50 5.057 7.081 7.122 1.00 0.00 H new ATOM 0 HA ARG A 50 2.354 6.846 7.908 1.00 0.00 H new ATOM 0 HB2 ARG A 50 4.145 8.546 8.625 1.00 0.00 H new ATOM 0 HB3 ARG A 50 3.835 9.376 7.114 1.00 0.00 H new ATOM 0 HG2 ARG A 50 2.531 10.472 8.794 1.00 0.00 H new ATOM 0 HG3 ARG A 50 1.411 9.576 7.787 1.00 0.00 H new ATOM 0 HD2 ARG A 50 1.267 7.780 9.434 1.00 0.00 H new ATOM 0 HD3 ARG A 50 2.540 8.500 10.400 1.00 0.00 H new ATOM 0 HE ARG A 50 0.601 10.497 10.232 1.00 0.00 H new ATOM 0 HH11 ARG A 50 0.722 7.133 11.292 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -0.551 7.347 12.499 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -1.031 10.765 11.786 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -1.539 9.394 12.778 1.00 0.00 H new ATOM 776 N GLU A 51 2.866 7.510 4.799 1.00 0.00 N ATOM 777 CA GLU A 51 2.229 7.732 3.506 1.00 0.00 C ATOM 778 C GLU A 51 1.813 6.408 2.870 1.00 0.00 C ATOM 779 O GLU A 51 0.820 6.341 2.146 1.00 0.00 O ATOM 780 CB GLU A 51 3.175 8.486 2.569 1.00 0.00 C ATOM 781 CG GLU A 51 4.039 7.574 1.714 1.00 0.00 C ATOM 782 CD GLU A 51 5.270 8.275 1.174 1.00 0.00 C ATOM 783 OE1 GLU A 51 5.558 9.403 1.626 1.00 0.00 O ATOM 784 OE2 GLU A 51 5.946 7.696 0.298 1.00 0.00 O ATOM 0 H GLU A 51 3.845 7.229 4.744 1.00 0.00 H new ATOM 0 HA GLU A 51 1.335 8.334 3.669 1.00 0.00 H new ATOM 0 HB2 GLU A 51 2.588 9.133 1.917 1.00 0.00 H new ATOM 0 HB3 GLU A 51 3.821 9.133 3.162 1.00 0.00 H new ATOM 0 HG2 GLU A 51 4.347 6.712 2.305 1.00 0.00 H new ATOM 0 HG3 GLU A 51 3.447 7.194 0.881 1.00 0.00 H new ATOM 791 N ILE A 52 2.580 5.359 3.147 1.00 0.00 N ATOM 792 CA ILE A 52 2.292 4.038 2.603 1.00 0.00 C ATOM 793 C ILE A 52 1.017 3.460 3.209 1.00 0.00 C ATOM 794 O ILE A 52 0.164 2.930 2.498 1.00 0.00 O ATOM 795 CB ILE A 52 3.455 3.060 2.852 1.00 0.00 C ATOM 796 CG1 ILE A 52 4.792 3.733 2.538 1.00 0.00 C ATOM 797 CG2 ILE A 52 3.279 1.803 2.014 1.00 0.00 C ATOM 798 CD1 ILE A 52 5.943 2.760 2.411 1.00 0.00 C ATOM 0 H ILE A 52 3.405 5.398 3.745 1.00 0.00 H new ATOM 0 HA ILE A 52 2.157 4.162 1.529 1.00 0.00 H new ATOM 0 HB ILE A 52 3.451 2.775 3.904 1.00 0.00 H new ATOM 0 HG12 ILE A 52 4.697 4.295 1.609 1.00 0.00 H new ATOM 0 HG13 ILE A 52 5.021 4.453 3.324 1.00 0.00 H new ATOM 0 HG21 ILE A 52 4.109 1.122 2.201 1.00 0.00 H new ATOM 0 HG22 ILE A 52 2.342 1.315 2.282 1.00 0.00 H new ATOM 0 HG23 ILE A 52 3.260 2.070 0.957 1.00 0.00 H new ATOM 0 HD11 ILE A 52 6.859 3.307 2.188 1.00 0.00 H new ATOM 0 HD12 ILE A 52 6.064 2.216 3.348 1.00 0.00 H new ATOM 0 HD13 ILE A 52 5.736 2.055 1.606 1.00 0.00 H new ATOM 810 N ALA A 53 0.894 3.568 4.528 1.00 0.00 N ATOM 811 CA ALA A 53 -0.278 3.060 5.230 1.00 0.00 C ATOM 812 C ALA A 53 -1.549 3.750 4.747 1.00 0.00 C ATOM 813 O ALA A 53 -2.414 3.121 4.139 1.00 0.00 O ATOM 814 CB ALA A 53 -0.113 3.242 6.732 1.00 0.00 C ATOM 0 H ALA A 53 1.592 4.003 5.132 1.00 0.00 H new ATOM 0 HA ALA A 53 -0.369 1.996 5.012 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -0.995 2.858 7.244 1.00 0.00 H new ATOM 0 HB2 ALA A 53 0.768 2.697 7.070 1.00 0.00 H new ATOM 0 HB3 ALA A 53 0.006 4.301 6.959 1.00 0.00 H new ATOM 820 N GLU A 54 -1.654 5.046 5.024 1.00 0.00 N ATOM 821 CA GLU A 54 -2.821 5.820 4.618 1.00 0.00 C ATOM 822 C GLU A 54 -3.249 5.458 3.199 1.00 0.00 C ATOM 823 O GLU A 54 -4.439 5.382 2.898 1.00 0.00 O ATOM 824 CB GLU A 54 -2.523 7.319 4.706 1.00 0.00 C ATOM 825 CG GLU A 54 -3.669 8.196 4.232 1.00 0.00 C ATOM 826 CD GLU A 54 -4.949 7.954 5.009 1.00 0.00 C ATOM 827 OE1 GLU A 54 -5.734 7.074 4.600 1.00 0.00 O ATOM 828 OE2 GLU A 54 -5.164 8.645 6.027 1.00 0.00 O ATOM 0 H GLU A 54 -0.946 5.581 5.527 1.00 0.00 H new ATOM 0 HA GLU A 54 -3.638 5.579 5.298 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -2.285 7.574 5.739 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -1.637 7.540 4.111 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -3.383 9.244 4.327 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -3.850 8.010 3.173 1.00 0.00 H new ATOM 835 N ALA A 55 -2.267 5.236 2.331 1.00 0.00 N ATOM 836 CA ALA A 55 -2.541 4.880 0.944 1.00 0.00 C ATOM 837 C ALA A 55 -3.260 3.538 0.853 1.00 0.00 C ATOM 838 O ALA A 55 -4.170 3.364 0.041 1.00 0.00 O ATOM 839 CB ALA A 55 -1.247 4.842 0.144 1.00 0.00 C ATOM 0 H ALA A 55 -1.276 5.296 2.564 1.00 0.00 H new ATOM 0 HA ALA A 55 -3.195 5.643 0.522 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -1.466 4.575 -0.890 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -0.773 5.823 0.173 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -0.574 4.101 0.575 1.00 0.00 H new ATOM 845 N TYR A 56 -2.847 2.593 1.689 1.00 0.00 N ATOM 846 CA TYR A 56 -3.450 1.265 1.701 1.00 0.00 C ATOM 847 C TYR A 56 -4.864 1.315 2.272 1.00 0.00 C ATOM 848 O TYR A 56 -5.817 0.867 1.636 1.00 0.00 O ATOM 849 CB TYR A 56 -2.591 0.299 2.518 1.00 0.00 C ATOM 850 CG TYR A 56 -3.266 -1.025 2.794 1.00 0.00 C ATOM 851 CD1 TYR A 56 -3.491 -1.939 1.772 1.00 0.00 C ATOM 852 CD2 TYR A 56 -3.679 -1.363 4.077 1.00 0.00 C ATOM 853 CE1 TYR A 56 -4.108 -3.150 2.020 1.00 0.00 C ATOM 854 CE2 TYR A 56 -4.296 -2.572 4.334 1.00 0.00 C ATOM 855 CZ TYR A 56 -4.508 -3.462 3.302 1.00 0.00 C ATOM 856 OH TYR A 56 -5.123 -4.667 3.554 1.00 0.00 O ATOM 0 H TYR A 56 -2.097 2.721 2.368 1.00 0.00 H new ATOM 0 HA TYR A 56 -3.505 0.909 0.672 1.00 0.00 H new ATOM 0 HB2 TYR A 56 -1.657 0.117 1.986 1.00 0.00 H new ATOM 0 HB3 TYR A 56 -2.331 0.770 3.466 1.00 0.00 H new ATOM 0 HD1 TYR A 56 -3.178 -1.699 0.767 1.00 0.00 H new ATOM 0 HD2 TYR A 56 -3.515 -0.668 4.887 1.00 0.00 H new ATOM 0 HE1 TYR A 56 -4.276 -3.849 1.214 1.00 0.00 H new ATOM 0 HE2 TYR A 56 -4.611 -2.819 5.337 1.00 0.00 H new ATOM 0 HH TYR A 56 -5.340 -4.730 4.508 1.00 0.00 H new ATOM 866 N GLU A 57 -4.990 1.863 3.476 1.00 0.00 N ATOM 867 CA GLU A 57 -6.287 1.970 4.134 1.00 0.00 C ATOM 868 C GLU A 57 -7.394 2.222 3.115 1.00 0.00 C ATOM 869 O GLU A 57 -8.436 1.566 3.137 1.00 0.00 O ATOM 870 CB GLU A 57 -6.266 3.096 5.170 1.00 0.00 C ATOM 871 CG GLU A 57 -5.309 2.845 6.323 1.00 0.00 C ATOM 872 CD GLU A 57 -5.583 3.741 7.515 1.00 0.00 C ATOM 873 OE1 GLU A 57 -6.015 4.894 7.303 1.00 0.00 O ATOM 874 OE2 GLU A 57 -5.366 3.291 8.659 1.00 0.00 O ATOM 0 H GLU A 57 -4.211 2.240 4.016 1.00 0.00 H new ATOM 0 HA GLU A 57 -6.490 1.025 4.639 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -5.990 4.028 4.676 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -7.272 3.232 5.567 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -5.384 1.802 6.632 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -4.286 3.003 5.982 1.00 0.00 H new ATOM 881 N THR A 58 -7.162 3.179 2.221 1.00 0.00 N ATOM 882 CA THR A 58 -8.139 3.520 1.195 1.00 0.00 C ATOM 883 C THR A 58 -8.295 2.387 0.187 1.00 0.00 C ATOM 884 O THR A 58 -9.411 1.970 -0.125 1.00 0.00 O ATOM 885 CB THR A 58 -7.742 4.807 0.447 1.00 0.00 C ATOM 886 OG1 THR A 58 -7.403 5.834 1.386 1.00 0.00 O ATOM 887 CG2 THR A 58 -8.876 5.284 -0.447 1.00 0.00 C ATOM 0 H THR A 58 -6.305 3.732 2.187 1.00 0.00 H new ATOM 0 HA THR A 58 -9.089 3.683 1.704 1.00 0.00 H new ATOM 0 HB THR A 58 -6.876 4.586 -0.178 1.00 0.00 H new ATOM 0 HG1 THR A 58 -6.793 6.475 0.964 1.00 0.00 H new ATOM 0 HG21 THR A 58 -8.573 6.194 -0.965 1.00 0.00 H new ATOM 0 HG22 THR A 58 -9.112 4.511 -1.179 1.00 0.00 H new ATOM 0 HG23 THR A 58 -9.757 5.489 0.161 1.00 0.00 H new ATOM 895 N LEU A 59 -7.171 1.893 -0.320 1.00 0.00 N ATOM 896 CA LEU A 59 -7.183 0.807 -1.293 1.00 0.00 C ATOM 897 C LEU A 59 -7.336 -0.543 -0.601 1.00 0.00 C ATOM 898 O LEU A 59 -7.142 -1.593 -1.214 1.00 0.00 O ATOM 899 CB LEU A 59 -5.898 0.825 -2.123 1.00 0.00 C ATOM 900 CG LEU A 59 -5.524 2.168 -2.752 1.00 0.00 C ATOM 901 CD1 LEU A 59 -4.208 2.056 -3.507 1.00 0.00 C ATOM 902 CD2 LEU A 59 -6.632 2.650 -3.678 1.00 0.00 C ATOM 0 H LEU A 59 -6.240 2.228 -0.073 1.00 0.00 H new ATOM 0 HA LEU A 59 -8.037 0.954 -1.954 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -5.074 0.502 -1.487 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -5.993 0.087 -2.920 1.00 0.00 H new ATOM 0 HG LEU A 59 -5.400 2.900 -1.953 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -3.958 3.021 -3.948 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -3.418 1.756 -2.819 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -4.304 1.311 -4.296 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -6.349 3.607 -4.117 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -6.787 1.919 -4.471 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -7.554 2.770 -3.110 1.00 0.00 H new ATOM 914 N SER A 60 -7.687 -0.509 0.681 1.00 0.00 N ATOM 915 CA SER A 60 -7.864 -1.730 1.458 1.00 0.00 C ATOM 916 C SER A 60 -9.330 -2.154 1.476 1.00 0.00 C ATOM 917 O SER A 60 -9.654 -3.318 1.243 1.00 0.00 O ATOM 918 CB SER A 60 -7.362 -1.527 2.889 1.00 0.00 C ATOM 919 OG SER A 60 -8.333 -0.865 3.681 1.00 0.00 O ATOM 0 H SER A 60 -7.854 0.351 1.203 1.00 0.00 H new ATOM 0 HA SER A 60 -7.281 -2.520 0.985 1.00 0.00 H new ATOM 0 HB2 SER A 60 -7.122 -2.493 3.334 1.00 0.00 H new ATOM 0 HB3 SER A 60 -6.441 -0.945 2.875 1.00 0.00 H new ATOM 0 HG SER A 60 -8.501 0.028 3.314 1.00 0.00 H new ATOM 925 N ASP A 61 -10.211 -1.200 1.756 1.00 0.00 N ATOM 926 CA ASP A 61 -11.643 -1.472 1.804 1.00 0.00 C ATOM 927 C ASP A 61 -12.238 -1.503 0.400 1.00 0.00 C ATOM 928 O ASP A 61 -11.518 -1.405 -0.593 1.00 0.00 O ATOM 929 CB ASP A 61 -12.356 -0.417 2.651 1.00 0.00 C ATOM 930 CG ASP A 61 -13.593 -0.964 3.337 1.00 0.00 C ATOM 931 OD1 ASP A 61 -13.588 -2.157 3.707 1.00 0.00 O ATOM 932 OD2 ASP A 61 -14.565 -0.199 3.504 1.00 0.00 O ATOM 0 H ASP A 61 -9.959 -0.232 1.953 1.00 0.00 H new ATOM 0 HA ASP A 61 -11.787 -2.451 2.261 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -11.667 -0.033 3.403 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -12.637 0.424 2.017 1.00 0.00 H new ATOM 937 N ALA A 62 -13.558 -1.641 0.325 1.00 0.00 N ATOM 938 CA ALA A 62 -14.250 -1.684 -0.957 1.00 0.00 C ATOM 939 C ALA A 62 -14.700 -0.291 -1.385 1.00 0.00 C ATOM 940 O ALA A 62 -14.206 0.255 -2.370 1.00 0.00 O ATOM 941 CB ALA A 62 -15.443 -2.626 -0.882 1.00 0.00 C ATOM 0 H ALA A 62 -14.169 -1.725 1.137 1.00 0.00 H new ATOM 0 HA ALA A 62 -13.552 -2.058 -1.706 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -15.950 -2.648 -1.846 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -15.099 -3.629 -0.630 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -16.135 -2.276 -0.116 1.00 0.00 H new ATOM 947 N ASN A 63 -15.640 0.277 -0.638 1.00 0.00 N ATOM 948 CA ASN A 63 -16.158 1.607 -0.941 1.00 0.00 C ATOM 949 C ASN A 63 -15.032 2.636 -0.967 1.00 0.00 C ATOM 950 O ASN A 63 -14.963 3.472 -1.868 1.00 0.00 O ATOM 951 CB ASN A 63 -17.212 2.014 0.090 1.00 0.00 C ATOM 952 CG ASN A 63 -17.508 3.501 0.058 1.00 0.00 C ATOM 953 OD1 ASN A 63 -16.731 4.311 0.563 1.00 0.00 O ATOM 954 ND2 ASN A 63 -18.637 3.866 -0.538 1.00 0.00 N ATOM 0 H ASN A 63 -16.059 -0.162 0.182 1.00 0.00 H new ATOM 0 HA ASN A 63 -16.619 1.574 -1.928 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -18.132 1.459 -0.096 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -16.868 1.736 1.086 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -18.890 4.853 -0.591 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -19.251 3.160 -0.943 1.00 0.00 H new ATOM 961 N ARG A 64 -14.151 2.567 0.026 1.00 0.00 N ATOM 962 CA ARG A 64 -13.029 3.492 0.117 1.00 0.00 C ATOM 963 C ARG A 64 -12.216 3.491 -1.174 1.00 0.00 C ATOM 964 O ARG A 64 -11.894 4.547 -1.718 1.00 0.00 O ATOM 965 CB ARG A 64 -12.130 3.122 1.299 1.00 0.00 C ATOM 966 CG ARG A 64 -12.771 3.371 2.654 1.00 0.00 C ATOM 967 CD ARG A 64 -11.742 3.336 3.772 1.00 0.00 C ATOM 968 NE ARG A 64 -12.144 4.156 4.912 1.00 0.00 N ATOM 969 CZ ARG A 64 -11.531 4.128 6.090 1.00 0.00 C ATOM 970 NH1 ARG A 64 -10.494 3.325 6.283 1.00 0.00 N ATOM 971 NH2 ARG A 64 -11.956 4.904 7.079 1.00 0.00 N ATOM 0 H ARG A 64 -14.193 1.880 0.779 1.00 0.00 H new ATOM 0 HA ARG A 64 -13.429 4.494 0.273 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -11.859 2.069 1.223 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -11.205 3.694 1.234 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -13.271 4.340 2.649 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -13.537 2.618 2.839 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -11.597 2.306 4.099 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -10.783 3.688 3.393 1.00 0.00 H new ATOM 0 HE ARG A 64 -12.939 4.785 4.797 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -10.165 2.726 5.526 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -10.025 3.306 7.189 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -12.754 5.523 6.935 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -11.485 4.882 7.983 1.00 0.00 H new ATOM 985 N ARG A 65 -11.888 2.297 -1.659 1.00 0.00 N ATOM 986 CA ARG A 65 -11.111 2.158 -2.885 1.00 0.00 C ATOM 987 C ARG A 65 -11.959 2.499 -4.107 1.00 0.00 C ATOM 988 O ARG A 65 -11.451 3.007 -5.107 1.00 0.00 O ATOM 989 CB ARG A 65 -10.566 0.734 -3.010 1.00 0.00 C ATOM 990 CG ARG A 65 -9.704 0.518 -4.243 1.00 0.00 C ATOM 991 CD ARG A 65 -10.541 0.095 -5.441 1.00 0.00 C ATOM 992 NE ARG A 65 -9.731 -0.541 -6.477 1.00 0.00 N ATOM 993 CZ ARG A 65 -10.226 -1.365 -7.393 1.00 0.00 C ATOM 994 NH1 ARG A 65 -11.520 -1.652 -7.402 1.00 0.00 N ATOM 995 NH2 ARG A 65 -9.425 -1.905 -8.303 1.00 0.00 N ATOM 0 H ARG A 65 -12.148 1.413 -1.222 1.00 0.00 H new ATOM 0 HA ARG A 65 -10.275 2.856 -2.837 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -9.980 0.499 -2.122 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -11.402 0.035 -3.034 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -9.168 1.437 -4.479 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -8.954 -0.245 -4.035 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -11.319 -0.595 -5.114 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -11.044 0.967 -5.858 1.00 0.00 H new ATOM 0 HE ARG A 65 -8.731 -0.341 -6.498 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -12.139 -1.239 -6.704 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -11.897 -2.285 -8.107 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -8.429 -1.687 -8.299 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -9.806 -2.538 -9.006 1.00 0.00 H new ATOM 1009 N LYS A 66 -13.254 2.216 -4.020 1.00 0.00 N ATOM 1010 CA LYS A 66 -14.174 2.492 -5.117 1.00 0.00 C ATOM 1011 C LYS A 66 -14.269 3.991 -5.383 1.00 0.00 C ATOM 1012 O LYS A 66 -14.352 4.422 -6.533 1.00 0.00 O ATOM 1013 CB LYS A 66 -15.562 1.931 -4.799 1.00 0.00 C ATOM 1014 CG LYS A 66 -16.627 2.336 -5.804 1.00 0.00 C ATOM 1015 CD LYS A 66 -18.008 1.877 -5.369 1.00 0.00 C ATOM 1016 CE LYS A 66 -18.325 0.486 -5.896 1.00 0.00 C ATOM 1017 NZ LYS A 66 -19.730 0.088 -5.602 1.00 0.00 N ATOM 0 H LYS A 66 -13.691 1.795 -3.200 1.00 0.00 H new ATOM 0 HA LYS A 66 -13.788 2.005 -6.013 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -15.505 0.843 -4.761 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -15.863 2.269 -3.807 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -16.623 3.420 -5.922 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -16.391 1.908 -6.778 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -18.066 1.877 -4.281 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -18.757 2.583 -5.728 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -18.158 0.459 -6.973 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -17.642 -0.236 -5.449 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -19.906 -0.866 -5.977 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -19.883 0.089 -4.573 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -20.383 0.762 -6.050 1.00 0.00 H new ATOM 1031 N GLU A 67 -14.254 4.780 -4.313 1.00 0.00 N ATOM 1032 CA GLU A 67 -14.338 6.230 -4.433 1.00 0.00 C ATOM 1033 C GLU A 67 -13.029 6.809 -4.963 1.00 0.00 C ATOM 1034 O GLU A 67 -13.027 7.628 -5.883 1.00 0.00 O ATOM 1035 CB GLU A 67 -14.674 6.858 -3.079 1.00 0.00 C ATOM 1036 CG GLU A 67 -16.002 6.394 -2.506 1.00 0.00 C ATOM 1037 CD GLU A 67 -16.664 7.448 -1.640 1.00 0.00 C ATOM 1038 OE1 GLU A 67 -15.973 8.026 -0.775 1.00 0.00 O ATOM 1039 OE2 GLU A 67 -17.874 7.695 -1.827 1.00 0.00 O ATOM 0 H GLU A 67 -14.184 4.439 -3.354 1.00 0.00 H new ATOM 0 HA GLU A 67 -15.133 6.464 -5.141 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -13.880 6.621 -2.371 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -14.693 7.943 -3.186 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -16.672 6.127 -3.323 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -15.843 5.491 -1.916 1.00 0.00 H new ATOM 1046 N TYR A 68 -11.918 6.377 -4.377 1.00 0.00 N ATOM 1047 CA TYR A 68 -10.603 6.853 -4.787 1.00 0.00 C ATOM 1048 C TYR A 68 -10.317 6.482 -6.239 1.00 0.00 C ATOM 1049 O TYR A 68 -9.328 6.926 -6.822 1.00 0.00 O ATOM 1050 CB TYR A 68 -9.520 6.271 -3.877 1.00 0.00 C ATOM 1051 CG TYR A 68 -8.113 6.622 -4.308 1.00 0.00 C ATOM 1052 CD1 TYR A 68 -7.474 5.906 -5.312 1.00 0.00 C ATOM 1053 CD2 TYR A 68 -7.425 7.671 -3.712 1.00 0.00 C ATOM 1054 CE1 TYR A 68 -6.189 6.222 -5.709 1.00 0.00 C ATOM 1055 CE2 TYR A 68 -6.140 7.996 -4.103 1.00 0.00 C ATOM 1056 CZ TYR A 68 -5.527 7.268 -5.101 1.00 0.00 C ATOM 1057 OH TYR A 68 -4.247 7.588 -5.494 1.00 0.00 O ATOM 0 H TYR A 68 -11.902 5.698 -3.616 1.00 0.00 H new ATOM 0 HA TYR A 68 -10.595 7.940 -4.701 1.00 0.00 H new ATOM 0 HB2 TYR A 68 -9.680 6.630 -2.860 1.00 0.00 H new ATOM 0 HB3 TYR A 68 -9.623 5.186 -3.851 1.00 0.00 H new ATOM 0 HD1 TYR A 68 -7.991 5.088 -5.791 1.00 0.00 H new ATOM 0 HD2 TYR A 68 -7.902 8.242 -2.930 1.00 0.00 H new ATOM 0 HE1 TYR A 68 -5.706 5.654 -6.490 1.00 0.00 H new ATOM 0 HE2 TYR A 68 -5.619 8.815 -3.630 1.00 0.00 H new ATOM 0 HH TYR A 68 -4.012 8.476 -5.153 1.00 0.00 H new ATOM 1067 N ASP A 69 -11.191 5.664 -6.816 1.00 0.00 N ATOM 1068 CA ASP A 69 -11.035 5.233 -8.200 1.00 0.00 C ATOM 1069 C ASP A 69 -12.062 5.913 -9.100 1.00 0.00 C ATOM 1070 O ASP A 69 -11.829 6.103 -10.294 1.00 0.00 O ATOM 1071 CB ASP A 69 -11.176 3.713 -8.302 1.00 0.00 C ATOM 1072 CG ASP A 69 -10.428 3.141 -9.490 1.00 0.00 C ATOM 1073 OD1 ASP A 69 -10.338 3.834 -10.524 1.00 0.00 O ATOM 1074 OD2 ASP A 69 -9.934 1.998 -9.386 1.00 0.00 O ATOM 0 H ASP A 69 -12.014 5.287 -6.347 1.00 0.00 H new ATOM 0 HA ASP A 69 -10.038 5.521 -8.534 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -10.803 3.254 -7.386 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -12.232 3.453 -8.382 1.00 0.00 H new ATOM 1079 N THR A 70 -13.201 6.276 -8.520 1.00 0.00 N ATOM 1080 CA THR A 70 -14.265 6.933 -9.269 1.00 0.00 C ATOM 1081 C THR A 70 -14.119 8.449 -9.218 1.00 0.00 C ATOM 1082 O THR A 70 -14.633 9.162 -10.080 1.00 0.00 O ATOM 1083 CB THR A 70 -15.655 6.544 -8.729 1.00 0.00 C ATOM 1084 OG1 THR A 70 -16.658 6.822 -9.713 1.00 0.00 O ATOM 1085 CG2 THR A 70 -15.970 7.303 -7.449 1.00 0.00 C ATOM 0 H THR A 70 -13.411 6.126 -7.533 1.00 0.00 H new ATOM 0 HA THR A 70 -14.177 6.597 -10.302 1.00 0.00 H new ATOM 0 HB THR A 70 -15.649 5.477 -8.508 1.00 0.00 H new ATOM 0 HG1 THR A 70 -17.538 6.571 -9.363 1.00 0.00 H new ATOM 0 HG21 THR A 70 -16.956 7.012 -7.087 1.00 0.00 H new ATOM 0 HG22 THR A 70 -15.221 7.067 -6.693 1.00 0.00 H new ATOM 0 HG23 THR A 70 -15.959 8.374 -7.649 1.00 0.00 H new ATOM 1093 N LEU A 71 -13.414 8.937 -8.203 1.00 0.00 N ATOM 1094 CA LEU A 71 -13.198 10.370 -8.040 1.00 0.00 C ATOM 1095 C LEU A 71 -11.781 10.758 -8.449 1.00 0.00 C ATOM 1096 O LEU A 71 -11.579 11.717 -9.193 1.00 0.00 O ATOM 1097 CB LEU A 71 -13.453 10.783 -6.589 1.00 0.00 C ATOM 1098 CG LEU A 71 -14.805 10.374 -6.003 1.00 0.00 C ATOM 1099 CD1 LEU A 71 -14.763 10.417 -4.483 1.00 0.00 C ATOM 1100 CD2 LEU A 71 -15.910 11.276 -6.533 1.00 0.00 C ATOM 0 H LEU A 71 -12.982 8.361 -7.480 1.00 0.00 H new ATOM 0 HA LEU A 71 -13.900 10.893 -8.689 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -12.666 10.357 -5.967 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -13.362 11.867 -6.519 1.00 0.00 H new ATOM 0 HG LEU A 71 -15.019 9.351 -6.311 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -15.734 10.123 -4.084 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -13.998 9.730 -4.121 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -14.527 11.429 -4.154 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -16.865 10.971 -6.106 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -15.701 12.309 -6.254 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -15.956 11.195 -7.619 1.00 0.00 H new ATOM 1112 N GLY A 72 -10.801 10.004 -7.959 1.00 0.00 N ATOM 1113 CA GLY A 72 -9.416 10.283 -8.286 1.00 0.00 C ATOM 1114 C GLY A 72 -8.594 10.649 -7.066 1.00 0.00 C ATOM 1115 O GLY A 72 -9.104 10.661 -5.946 1.00 0.00 O ATOM 0 H GLY A 72 -10.943 9.205 -7.341 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -8.977 9.409 -8.767 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -9.374 11.099 -9.007 1.00 0.00 H new ATOM 1119 N HIS A 73 -7.316 10.946 -7.282 1.00 0.00 N ATOM 1120 CA HIS A 73 -6.421 11.313 -6.190 1.00 0.00 C ATOM 1121 C HIS A 73 -6.786 12.682 -5.626 1.00 0.00 C ATOM 1122 O HIS A 73 -7.223 12.796 -4.480 1.00 0.00 O ATOM 1123 CB HIS A 73 -4.970 11.316 -6.672 1.00 0.00 C ATOM 1124 CG HIS A 73 -3.997 11.790 -5.636 1.00 0.00 C ATOM 1125 ND1 HIS A 73 -3.607 11.020 -4.561 1.00 0.00 N ATOM 1126 CD2 HIS A 73 -3.333 12.963 -5.517 1.00 0.00 C ATOM 1127 CE1 HIS A 73 -2.747 11.699 -3.824 1.00 0.00 C ATOM 1128 NE2 HIS A 73 -2.562 12.882 -4.383 1.00 0.00 N ATOM 0 H HIS A 73 -6.877 10.940 -8.203 1.00 0.00 H new ATOM 0 HA HIS A 73 -6.531 10.573 -5.397 1.00 0.00 H new ATOM 0 HB2 HIS A 73 -4.696 10.307 -6.982 1.00 0.00 H new ATOM 0 HB3 HIS A 73 -4.889 11.953 -7.553 1.00 0.00 H new ATOM 0 HD2 HIS A 73 -3.397 13.806 -6.189 1.00 0.00 H new ATOM 0 HE1 HIS A 73 -2.275 11.347 -2.918 1.00 0.00 H new ATOM 0 HE2 HIS A 73 -1.947 13.615 -4.030 1.00 0.00 H new ATOM 1136 N SER A 74 -6.602 13.719 -6.437 1.00 0.00 N ATOM 1137 CA SER A 74 -6.908 15.082 -6.016 1.00 0.00 C ATOM 1138 C SER A 74 -8.410 15.268 -5.826 1.00 0.00 C ATOM 1139 O SER A 74 -8.848 16.115 -5.048 1.00 0.00 O ATOM 1140 CB SER A 74 -6.384 16.085 -7.046 1.00 0.00 C ATOM 1141 OG SER A 74 -6.836 15.762 -8.349 1.00 0.00 O ATOM 0 H SER A 74 -6.243 13.642 -7.389 1.00 0.00 H new ATOM 0 HA SER A 74 -6.414 15.261 -5.061 1.00 0.00 H new ATOM 0 HB2 SER A 74 -6.715 17.089 -6.781 1.00 0.00 H new ATOM 0 HB3 SER A 74 -5.294 16.094 -7.028 1.00 0.00 H new ATOM 0 HG SER A 74 -6.489 16.419 -8.988 1.00 0.00 H new ATOM 1147 N ALA A 75 -9.194 14.470 -6.543 1.00 0.00 N ATOM 1148 CA ALA A 75 -10.647 14.544 -6.453 1.00 0.00 C ATOM 1149 C ALA A 75 -11.144 13.983 -5.125 1.00 0.00 C ATOM 1150 O ALA A 75 -11.835 14.668 -4.370 1.00 0.00 O ATOM 1151 CB ALA A 75 -11.287 13.800 -7.615 1.00 0.00 C ATOM 0 H ALA A 75 -8.847 13.765 -7.193 1.00 0.00 H new ATOM 0 HA ALA A 75 -10.936 15.594 -6.505 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -12.372 13.864 -7.534 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -10.966 14.248 -8.555 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -10.982 12.754 -7.589 1.00 0.00 H new ATOM 1157 N PHE A 76 -10.788 12.734 -4.845 1.00 0.00 N ATOM 1158 CA PHE A 76 -11.200 12.080 -3.609 1.00 0.00 C ATOM 1159 C PHE A 76 -10.638 12.812 -2.394 1.00 0.00 C ATOM 1160 O PHE A 76 -11.219 12.776 -1.308 1.00 0.00 O ATOM 1161 CB PHE A 76 -10.738 10.622 -3.599 1.00 0.00 C ATOM 1162 CG PHE A 76 -10.962 9.930 -2.285 1.00 0.00 C ATOM 1163 CD1 PHE A 76 -10.132 10.181 -1.204 1.00 0.00 C ATOM 1164 CD2 PHE A 76 -12.003 9.028 -2.131 1.00 0.00 C ATOM 1165 CE1 PHE A 76 -10.337 9.547 0.007 1.00 0.00 C ATOM 1166 CE2 PHE A 76 -12.212 8.391 -0.922 1.00 0.00 C ATOM 1167 CZ PHE A 76 -11.377 8.650 0.147 1.00 0.00 C ATOM 0 H PHE A 76 -10.215 12.154 -5.458 1.00 0.00 H new ATOM 0 HA PHE A 76 -12.288 12.108 -3.558 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -11.265 10.077 -4.382 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -9.677 10.584 -3.844 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -9.316 10.880 -1.309 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -12.658 8.821 -2.964 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -9.684 9.753 0.843 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -13.028 7.691 -0.814 1.00 0.00 H new ATOM 0 HZ PHE A 76 -11.537 8.151 1.091 1.00 0.00 H new ATOM 1177 N THR A 77 -9.501 13.475 -2.583 1.00 0.00 N ATOM 1178 CA THR A 77 -8.858 14.214 -1.504 1.00 0.00 C ATOM 1179 C THR A 77 -9.292 15.675 -1.503 1.00 0.00 C ATOM 1180 O THR A 77 -8.459 16.580 -1.452 1.00 0.00 O ATOM 1181 CB THR A 77 -7.323 14.146 -1.614 1.00 0.00 C ATOM 1182 OG1 THR A 77 -6.870 14.997 -2.672 1.00 0.00 O ATOM 1183 CG2 THR A 77 -6.862 12.720 -1.870 1.00 0.00 C ATOM 0 H THR A 77 -9.006 13.515 -3.474 1.00 0.00 H new ATOM 0 HA THR A 77 -9.169 13.745 -0.571 1.00 0.00 H new ATOM 0 HB THR A 77 -6.897 14.484 -0.669 1.00 0.00 H new ATOM 0 HG1 THR A 77 -7.142 15.920 -2.488 1.00 0.00 H new ATOM 0 HG21 THR A 77 -5.775 12.697 -1.944 1.00 0.00 H new ATOM 0 HG22 THR A 77 -7.183 12.081 -1.048 1.00 0.00 H new ATOM 0 HG23 THR A 77 -7.297 12.359 -2.802 1.00 0.00 H new ATOM 1191 N SER A 78 -10.601 15.899 -1.560 1.00 0.00 N ATOM 1192 CA SER A 78 -11.146 17.252 -1.569 1.00 0.00 C ATOM 1193 C SER A 78 -12.178 17.429 -0.459 1.00 0.00 C ATOM 1194 O SER A 78 -13.378 17.270 -0.681 1.00 0.00 O ATOM 1195 CB SER A 78 -11.781 17.560 -2.926 1.00 0.00 C ATOM 1196 OG SER A 78 -10.828 18.099 -3.825 1.00 0.00 O ATOM 0 H SER A 78 -11.304 15.161 -1.601 1.00 0.00 H new ATOM 0 HA SER A 78 -10.326 17.949 -1.394 1.00 0.00 H new ATOM 0 HB2 SER A 78 -12.207 16.649 -3.346 1.00 0.00 H new ATOM 0 HB3 SER A 78 -12.602 18.265 -2.795 1.00 0.00 H new ATOM 0 HG SER A 78 -10.247 17.382 -4.154 1.00 0.00 H new ATOM 1202 N GLY A 79 -11.702 17.761 0.737 1.00 0.00 N ATOM 1203 CA GLY A 79 -12.595 17.954 1.864 1.00 0.00 C ATOM 1204 C GLY A 79 -12.346 19.265 2.583 1.00 0.00 C ATOM 1205 O GLY A 79 -12.515 20.340 2.006 1.00 0.00 O ATOM 0 H GLY A 79 -10.713 17.900 0.945 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -13.627 17.925 1.515 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -12.473 17.129 2.566 1.00 0.00 H new ATOM 1209 N LYS A 80 -11.944 19.178 3.846 1.00 0.00 N ATOM 1210 CA LYS A 80 -11.672 20.366 4.646 1.00 0.00 C ATOM 1211 C LYS A 80 -10.170 20.581 4.808 1.00 0.00 C ATOM 1212 O LYS A 80 -9.581 20.181 5.811 1.00 0.00 O ATOM 1213 CB LYS A 80 -12.331 20.243 6.022 1.00 0.00 C ATOM 1214 CG LYS A 80 -13.759 20.758 6.060 1.00 0.00 C ATOM 1215 CD LYS A 80 -14.748 19.696 5.611 1.00 0.00 C ATOM 1216 CE LYS A 80 -15.159 18.794 6.764 1.00 0.00 C ATOM 1217 NZ LYS A 80 -15.707 17.495 6.284 1.00 0.00 N ATOM 0 H LYS A 80 -11.799 18.296 4.338 1.00 0.00 H new ATOM 0 HA LYS A 80 -12.091 21.227 4.125 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -12.323 19.197 6.327 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -11.736 20.793 6.751 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -14.004 21.079 7.072 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -13.848 21.634 5.417 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -15.632 20.175 5.190 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -14.303 19.095 4.818 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -14.297 18.610 7.406 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -15.907 19.301 7.373 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -15.975 16.909 7.100 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -16.544 17.669 5.692 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -14.984 16.999 5.724 1.00 0.00 H new ATOM 1231 N GLY A 81 -9.557 21.216 3.814 1.00 0.00 N ATOM 1232 CA GLY A 81 -8.129 21.473 3.866 1.00 0.00 C ATOM 1233 C GLY A 81 -7.583 21.982 2.547 1.00 0.00 C ATOM 1234 O GLY A 81 -8.337 22.204 1.601 1.00 0.00 O ATOM 0 H GLY A 81 -10.023 21.557 2.973 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -7.923 22.204 4.647 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -7.608 20.556 4.142 1.00 0.00 H new ATOM 1238 N GLN A 82 -6.268 22.167 2.485 1.00 0.00 N ATOM 1239 CA GLN A 82 -5.622 22.655 1.272 1.00 0.00 C ATOM 1240 C GLN A 82 -5.530 21.552 0.223 1.00 0.00 C ATOM 1241 O GLN A 82 -4.918 20.510 0.455 1.00 0.00 O ATOM 1242 CB GLN A 82 -4.225 23.189 1.593 1.00 0.00 C ATOM 1243 CG GLN A 82 -4.235 24.459 2.428 1.00 0.00 C ATOM 1244 CD GLN A 82 -2.869 24.799 2.990 1.00 0.00 C ATOM 1245 OE1 GLN A 82 -1.873 24.809 2.266 1.00 0.00 O ATOM 1246 NE2 GLN A 82 -2.815 25.080 4.286 1.00 0.00 N ATOM 0 H GLN A 82 -5.630 21.987 3.260 1.00 0.00 H new ATOM 0 HA GLN A 82 -6.229 23.465 0.868 1.00 0.00 H new ATOM 0 HB2 GLN A 82 -3.664 22.420 2.124 1.00 0.00 H new ATOM 0 HB3 GLN A 82 -3.696 23.382 0.660 1.00 0.00 H new ATOM 0 HG2 GLN A 82 -4.589 25.289 1.816 1.00 0.00 H new ATOM 0 HG3 GLN A 82 -4.943 24.344 3.249 1.00 0.00 H new ATOM 0 HE21 GLN A 82 -3.666 25.060 4.848 1.00 0.00 H new ATOM 0 HE22 GLN A 82 -1.923 25.316 4.720 1.00 0.00 H new ATOM 1255 N SER A 83 -6.144 21.789 -0.932 1.00 0.00 N ATOM 1256 CA SER A 83 -6.134 20.814 -2.016 1.00 0.00 C ATOM 1257 C SER A 83 -5.282 21.306 -3.182 1.00 0.00 C ATOM 1258 O SER A 83 -4.641 22.352 -3.099 1.00 0.00 O ATOM 1259 CB SER A 83 -7.561 20.537 -2.494 1.00 0.00 C ATOM 1260 OG SER A 83 -7.567 19.636 -3.588 1.00 0.00 O ATOM 0 H SER A 83 -6.654 22.647 -1.141 1.00 0.00 H new ATOM 0 HA SER A 83 -5.699 19.890 -1.636 1.00 0.00 H new ATOM 0 HB2 SER A 83 -8.148 20.123 -1.675 1.00 0.00 H new ATOM 0 HB3 SER A 83 -8.038 21.472 -2.787 1.00 0.00 H new ATOM 0 HG SER A 83 -8.490 19.474 -3.873 1.00 0.00 H new ATOM 1266 N GLY A 84 -5.280 20.541 -4.270 1.00 0.00 N ATOM 1267 CA GLY A 84 -4.504 20.914 -5.438 1.00 0.00 C ATOM 1268 C GLY A 84 -5.376 21.317 -6.610 1.00 0.00 C ATOM 1269 O GLY A 84 -5.664 20.517 -7.501 1.00 0.00 O ATOM 0 H GLY A 84 -5.802 19.670 -4.363 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -3.842 21.741 -5.181 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -3.870 20.077 -5.732 1.00 0.00 H new ATOM 1273 N PRO A 85 -5.815 22.584 -6.618 1.00 0.00 N ATOM 1274 CA PRO A 85 -6.668 23.120 -7.683 1.00 0.00 C ATOM 1275 C PRO A 85 -5.921 23.267 -9.004 1.00 0.00 C ATOM 1276 O PRO A 85 -6.506 23.643 -10.020 1.00 0.00 O ATOM 1277 CB PRO A 85 -7.083 24.493 -7.148 1.00 0.00 C ATOM 1278 CG PRO A 85 -5.997 24.876 -6.203 1.00 0.00 C ATOM 1279 CD PRO A 85 -5.512 23.592 -5.588 1.00 0.00 C ATOM 0 HA PRO A 85 -7.508 22.461 -7.903 1.00 0.00 H new ATOM 0 HB2 PRO A 85 -7.180 25.219 -7.955 1.00 0.00 H new ATOM 0 HB3 PRO A 85 -8.048 24.446 -6.644 1.00 0.00 H new ATOM 0 HG2 PRO A 85 -5.189 25.389 -6.724 1.00 0.00 H new ATOM 0 HG3 PRO A 85 -6.367 25.559 -5.439 1.00 0.00 H new ATOM 0 HD2 PRO A 85 -4.446 23.631 -5.365 1.00 0.00 H new ATOM 0 HD3 PRO A 85 -6.026 23.376 -4.651 1.00 0.00 H new ATOM 1287 N SER A 86 -4.626 22.968 -8.984 1.00 0.00 N ATOM 1288 CA SER A 86 -3.799 23.070 -10.180 1.00 0.00 C ATOM 1289 C SER A 86 -4.538 22.529 -11.400 1.00 0.00 C ATOM 1290 O SER A 86 -5.135 21.453 -11.351 1.00 0.00 O ATOM 1291 CB SER A 86 -2.487 22.308 -9.985 1.00 0.00 C ATOM 1292 OG SER A 86 -2.727 20.990 -9.523 1.00 0.00 O ATOM 0 H SER A 86 -4.127 22.653 -8.152 1.00 0.00 H new ATOM 0 HA SER A 86 -3.577 24.124 -10.349 1.00 0.00 H new ATOM 0 HB2 SER A 86 -1.940 22.273 -10.927 1.00 0.00 H new ATOM 0 HB3 SER A 86 -1.857 22.838 -9.270 1.00 0.00 H new ATOM 0 HG SER A 86 -3.541 20.640 -9.941 1.00 0.00 H new ATOM 1298 N SER A 87 -4.494 23.283 -12.494 1.00 0.00 N ATOM 1299 CA SER A 87 -5.163 22.882 -13.726 1.00 0.00 C ATOM 1300 C SER A 87 -4.579 21.578 -14.262 1.00 0.00 C ATOM 1301 O SER A 87 -5.301 20.610 -14.492 1.00 0.00 O ATOM 1302 CB SER A 87 -5.036 23.983 -14.781 1.00 0.00 C ATOM 1303 OG SER A 87 -5.679 25.172 -14.357 1.00 0.00 O ATOM 0 H SER A 87 -4.002 24.175 -12.552 1.00 0.00 H new ATOM 0 HA SER A 87 -6.218 22.722 -13.503 1.00 0.00 H new ATOM 0 HB2 SER A 87 -3.983 24.185 -14.975 1.00 0.00 H new ATOM 0 HB3 SER A 87 -5.474 23.644 -15.720 1.00 0.00 H new ATOM 0 HG SER A 87 -5.582 25.860 -15.048 1.00 0.00 H new ATOM 1309 N GLY A 88 -3.264 21.563 -14.457 1.00 0.00 N ATOM 1310 CA GLY A 88 -2.603 20.374 -14.965 1.00 0.00 C ATOM 1311 C GLY A 88 -1.201 20.658 -15.465 1.00 0.00 C ATOM 1312 O GLY A 88 -0.916 20.506 -16.652 1.00 0.00 O ATOM 0 H GLY A 88 -2.645 22.352 -14.273 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -2.559 19.622 -14.177 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -3.196 19.951 -15.776 1.00 0.00 H new TER 1316 GLY A 88