USER MOD reduce.3.24.130724 H: found=0, std=0, add=869, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 857 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 100 ASN : amide:sc= 0 X(o=0,f=-0.34) USER MOD Set 1.2: A 103 HIS : no HD1:sc= 0 X(o=0,f=-0.46) USER MOD Set 2.1: A 68 SER OG : rot -86:sc= 0.867 USER MOD Set 2.2: A 69 GLN : amide:sc= -2.89 K(o=-2,f=-2.9) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 176:sc= 1.08 (180deg=0.962) USER MOD Single : A 5 MET CE :methyl -119:sc= 0 (180deg=-0.0251) USER MOD Single : A 6 SER OG : rot 180:sc= -0.322 USER MOD Single : A 9 THR OG1 : rot 18:sc= 0.389 USER MOD Single : A 11 ASN : amide:sc= -0.798 X(o=-0.8,f=-1.1) USER MOD Single : A 20 TYR OH : rot 100:sc= -0.603 USER MOD Single : A 22 GLN : amide:sc= -0.762 K(o=-0.76,f=-7.7!) USER MOD Single : A 24 LYS NZ :NH3+ -153:sc= 0 (180deg=-0.0843) USER MOD Single : A 26 SER OG : rot 73:sc= 0.87 USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 34 HIS : no HD1:sc= -0.486 K(o=-0.49,f=-4.8!) USER MOD Single : A 39 LYS NZ :NH3+ 160:sc= -0.635 (180deg=-1.42) USER MOD Single : A 43 THR OG1 : rot -60:sc= 0.883 USER MOD Single : A 50 GLN : amide:sc= -3.86! C(o=-3.9!,f=-5.5!) USER MOD Single : A 52 ASN : amide:sc= 0.0905 K(o=0.091,f=-1.3) USER MOD Single : A 53 SER OG : rot -51:sc= 0.715 USER MOD Single : A 54 HIS : no HD1:sc= -0.506 X(o=-0.51,f=-0.27) USER MOD Single : A 57 LYS NZ :NH3+ -158:sc= -0.0574 (180deg=-0.39) USER MOD Single : A 61 LYS NZ :NH3+ 162:sc= -0.103 (180deg=-0.759) USER MOD Single : A 62 GLN : amide:sc= -10.1! C(o=-10!,f=-14!) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 HIS : no HD1:sc= -0.378 K(o=-0.38,f=-0.9) USER MOD Single : A 81 LYS NZ :NH3+ -132:sc= -3.56 (180deg=-5.16!) USER MOD Single : A 82 GLN : amide:sc= -0.662 K(o=-0.66,f=-2.6) USER MOD Single : A 84 LYS NZ :NH3+ -128:sc= -2.1 (180deg=-4.87!) USER MOD Single : A 87 ASN : amide:sc= -0.127 K(o=-0.13,f=-2.3!) USER MOD Single : A 89 GLN : amide:sc= -0.159 X(o=-0.16,f=0.07) USER MOD Single : A 90 GLN : amide:sc= -0.681 K(o=-0.68,f=-4.2!) USER MOD Single : A 104 HIS : no HD1:sc= -0.579 X(o=-0.58,f=-0.22) USER MOD Single : A 105 HIS : no HD1:sc= -0.161 X(o=-0.16,f=-0.62) USER MOD Single : A 106 HIS : no HD1:sc= -0.417 K(o=-0.42,f=-2.5) USER MOD Single : A 107 HIS : no HD1:sc= -0.342 K(o=-0.34,f=-1.2) USER MOD Single : A 108 HIS : no HD1:sc= -0.0869 X(o=-0.087,f=-0.0077) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 18.732 -1.484 17.989 1.00 0.00 N ATOM 2 CA MET A 1 18.430 -0.024 17.990 1.00 0.00 C ATOM 3 C MET A 1 17.816 0.367 16.648 1.00 0.00 C ATOM 4 O MET A 1 16.753 0.988 16.601 1.00 0.00 O ATOM 5 CB MET A 1 19.724 0.765 18.221 1.00 0.00 C ATOM 6 CG MET A 1 20.041 0.813 19.718 1.00 0.00 C ATOM 7 SD MET A 1 20.478 -0.846 20.299 1.00 0.00 S ATOM 8 CE MET A 1 20.512 -0.477 22.070 1.00 0.00 C ATOM 0 H1 MET A 1 19.212 -1.740 18.875 1.00 0.00 H new ATOM 0 H2 MET A 1 17.846 -2.022 17.908 1.00 0.00 H new ATOM 0 H3 MET A 1 19.349 -1.710 17.183 1.00 0.00 H new ATOM 0 HA MET A 1 17.724 0.204 18.789 1.00 0.00 H new ATOM 0 HB2 MET A 1 20.547 0.298 17.680 1.00 0.00 H new ATOM 0 HB3 MET A 1 19.619 1.777 17.829 1.00 0.00 H new ATOM 0 HG2 MET A 1 20.864 1.503 19.904 1.00 0.00 H new ATOM 0 HG3 MET A 1 19.180 1.188 20.271 1.00 0.00 H new ATOM 0 HE1 MET A 1 20.766 -1.380 22.625 1.00 0.00 H new ATOM 0 HE2 MET A 1 21.258 0.292 22.267 1.00 0.00 H new ATOM 0 HE3 MET A 1 19.532 -0.121 22.386 1.00 0.00 H new ATOM 17 N ASP A 2 18.497 0.007 15.561 1.00 0.00 N ATOM 18 CA ASP A 2 18.019 0.331 14.219 1.00 0.00 C ATOM 19 C ASP A 2 17.421 -0.904 13.539 1.00 0.00 C ATOM 20 O ASP A 2 16.240 -1.206 13.718 1.00 0.00 O ATOM 21 CB ASP A 2 19.169 0.901 13.375 1.00 0.00 C ATOM 22 CG ASP A 2 20.441 0.073 13.568 1.00 0.00 C ATOM 23 OD1 ASP A 2 21.032 0.167 14.631 1.00 0.00 O ATOM 24 OD2 ASP A 2 20.807 -0.637 12.645 1.00 0.00 O ATOM 0 H ASP A 2 19.378 -0.507 15.583 1.00 0.00 H new ATOM 0 HA ASP A 2 17.235 1.083 14.305 1.00 0.00 H new ATOM 0 HB2 ASP A 2 18.887 0.905 12.322 1.00 0.00 H new ATOM 0 HB3 ASP A 2 19.356 1.937 13.658 1.00 0.00 H new ATOM 29 N GLY A 3 18.238 -1.612 12.758 1.00 0.00 N ATOM 30 CA GLY A 3 17.778 -2.807 12.057 1.00 0.00 C ATOM 31 C GLY A 3 17.237 -2.458 10.675 1.00 0.00 C ATOM 32 O GLY A 3 16.462 -3.218 10.095 1.00 0.00 O ATOM 0 H GLY A 3 19.218 -1.378 12.597 1.00 0.00 H new ATOM 0 HA2 GLY A 3 18.601 -3.515 11.961 1.00 0.00 H new ATOM 0 HA3 GLY A 3 17.001 -3.299 12.642 1.00 0.00 H new ATOM 36 N VAL A 4 17.658 -1.304 10.154 1.00 0.00 N ATOM 37 CA VAL A 4 17.221 -0.849 8.833 1.00 0.00 C ATOM 38 C VAL A 4 15.700 -0.689 8.783 1.00 0.00 C ATOM 39 O VAL A 4 14.964 -1.668 8.635 1.00 0.00 O ATOM 40 CB VAL A 4 17.677 -1.838 7.751 1.00 0.00 C ATOM 41 CG1 VAL A 4 17.415 -1.244 6.365 1.00 0.00 C ATOM 42 CG2 VAL A 4 19.177 -2.116 7.909 1.00 0.00 C ATOM 0 H VAL A 4 18.301 -0.668 10.626 1.00 0.00 H new ATOM 0 HA VAL A 4 17.676 0.123 8.645 1.00 0.00 H new ATOM 0 HB VAL A 4 17.120 -2.769 7.858 1.00 0.00 H new ATOM 0 HG11 VAL A 4 17.740 -1.949 5.600 1.00 0.00 H new ATOM 0 HG12 VAL A 4 16.349 -1.048 6.249 1.00 0.00 H new ATOM 0 HG13 VAL A 4 17.969 -0.311 6.258 1.00 0.00 H new ATOM 0 HG21 VAL A 4 19.500 -2.818 7.140 1.00 0.00 H new ATOM 0 HG22 VAL A 4 19.733 -1.184 7.805 1.00 0.00 H new ATOM 0 HG23 VAL A 4 19.366 -2.544 8.894 1.00 0.00 H new ATOM 52 N MET A 5 15.240 0.556 8.897 1.00 0.00 N ATOM 53 CA MET A 5 13.809 0.847 8.857 1.00 0.00 C ATOM 54 C MET A 5 13.390 1.274 7.461 1.00 0.00 C ATOM 55 O MET A 5 13.477 2.453 7.109 1.00 0.00 O ATOM 56 CB MET A 5 13.445 1.967 9.835 1.00 0.00 C ATOM 57 CG MET A 5 14.634 2.916 10.026 1.00 0.00 C ATOM 58 SD MET A 5 14.029 4.541 10.546 1.00 0.00 S ATOM 59 CE MET A 5 13.618 4.102 12.253 1.00 0.00 C ATOM 0 H MET A 5 15.835 1.376 9.017 1.00 0.00 H new ATOM 0 HA MET A 5 13.286 -0.066 9.141 1.00 0.00 H new ATOM 0 HB2 MET A 5 12.585 2.522 9.459 1.00 0.00 H new ATOM 0 HB3 MET A 5 13.154 1.540 10.795 1.00 0.00 H new ATOM 0 HG2 MET A 5 15.318 2.514 10.774 1.00 0.00 H new ATOM 0 HG3 MET A 5 15.195 3.005 9.096 1.00 0.00 H new ATOM 0 HE1 MET A 5 12.552 4.254 12.421 1.00 0.00 H new ATOM 0 HE2 MET A 5 13.868 3.056 12.430 1.00 0.00 H new ATOM 0 HE3 MET A 5 14.186 4.732 12.938 1.00 0.00 H new ATOM 69 N SER A 6 12.922 0.317 6.677 1.00 0.00 N ATOM 70 CA SER A 6 12.475 0.614 5.333 1.00 0.00 C ATOM 71 C SER A 6 11.066 0.084 5.114 1.00 0.00 C ATOM 72 O SER A 6 10.820 -1.122 5.171 1.00 0.00 O ATOM 73 CB SER A 6 13.423 0.018 4.292 1.00 0.00 C ATOM 74 OG SER A 6 14.373 -0.821 4.935 1.00 0.00 O ATOM 0 H SER A 6 12.843 -0.663 6.948 1.00 0.00 H new ATOM 0 HA SER A 6 12.472 1.697 5.214 1.00 0.00 H new ATOM 0 HB2 SER A 6 12.858 -0.554 3.556 1.00 0.00 H new ATOM 0 HB3 SER A 6 13.934 0.815 3.752 1.00 0.00 H new ATOM 0 HG SER A 6 14.978 -1.203 4.265 1.00 0.00 H new ATOM 80 N ALA A 7 10.157 1.002 4.849 1.00 0.00 N ATOM 81 CA ALA A 7 8.766 0.662 4.600 1.00 0.00 C ATOM 82 C ALA A 7 8.200 1.602 3.551 1.00 0.00 C ATOM 83 O ALA A 7 7.318 1.228 2.782 1.00 0.00 O ATOM 84 CB ALA A 7 7.942 0.775 5.883 1.00 0.00 C ATOM 0 H ALA A 7 10.358 2.001 4.800 1.00 0.00 H new ATOM 0 HA ALA A 7 8.716 -0.367 4.245 1.00 0.00 H new ATOM 0 HB1 ALA A 7 6.904 0.516 5.673 1.00 0.00 H new ATOM 0 HB2 ALA A 7 8.342 0.093 6.633 1.00 0.00 H new ATOM 0 HB3 ALA A 7 7.992 1.797 6.259 1.00 0.00 H new ATOM 90 N VAL A 8 8.726 2.828 3.519 1.00 0.00 N ATOM 91 CA VAL A 8 8.274 3.808 2.549 1.00 0.00 C ATOM 92 C VAL A 8 9.416 4.725 2.134 1.00 0.00 C ATOM 93 O VAL A 8 10.467 4.761 2.778 1.00 0.00 O ATOM 94 CB VAL A 8 7.116 4.647 3.115 1.00 0.00 C ATOM 95 CG1 VAL A 8 6.052 3.730 3.724 1.00 0.00 C ATOM 96 CG2 VAL A 8 7.647 5.598 4.194 1.00 0.00 C ATOM 0 H VAL A 8 9.457 3.157 4.149 1.00 0.00 H new ATOM 0 HA VAL A 8 7.920 3.266 1.672 1.00 0.00 H new ATOM 0 HB VAL A 8 6.670 5.225 2.306 1.00 0.00 H new ATOM 0 HG11 VAL A 8 5.236 4.333 4.122 1.00 0.00 H new ATOM 0 HG12 VAL A 8 5.666 3.060 2.956 1.00 0.00 H new ATOM 0 HG13 VAL A 8 6.495 3.143 4.528 1.00 0.00 H new ATOM 0 HG21 VAL A 8 6.824 6.191 4.593 1.00 0.00 H new ATOM 0 HG22 VAL A 8 8.100 5.019 4.998 1.00 0.00 H new ATOM 0 HG23 VAL A 8 8.394 6.261 3.759 1.00 0.00 H new ATOM 106 N THR A 9 9.201 5.461 1.048 1.00 0.00 N ATOM 107 CA THR A 9 10.215 6.374 0.540 1.00 0.00 C ATOM 108 C THR A 9 9.567 7.550 -0.190 1.00 0.00 C ATOM 109 O THR A 9 8.709 7.360 -1.052 1.00 0.00 O ATOM 110 CB THR A 9 11.157 5.613 -0.401 1.00 0.00 C ATOM 111 OG1 THR A 9 12.151 4.953 0.370 1.00 0.00 O ATOM 112 CG2 THR A 9 11.830 6.582 -1.378 1.00 0.00 C ATOM 0 H THR A 9 8.337 5.442 0.506 1.00 0.00 H new ATOM 0 HA THR A 9 10.786 6.773 1.378 1.00 0.00 H new ATOM 0 HB THR A 9 10.581 4.884 -0.970 1.00 0.00 H new ATOM 0 HG1 THR A 9 11.853 4.888 1.301 1.00 0.00 H new ATOM 0 HG21 THR A 9 12.496 6.028 -2.040 1.00 0.00 H new ATOM 0 HG22 THR A 9 11.068 7.088 -1.971 1.00 0.00 H new ATOM 0 HG23 THR A 9 12.406 7.320 -0.820 1.00 0.00 H new ATOM 120 N VAL A 10 9.994 8.761 0.163 1.00 0.00 N ATOM 121 CA VAL A 10 9.469 9.974 -0.456 1.00 0.00 C ATOM 122 C VAL A 10 10.377 10.414 -1.602 1.00 0.00 C ATOM 123 O VAL A 10 11.397 11.070 -1.390 1.00 0.00 O ATOM 124 CB VAL A 10 9.362 11.100 0.583 1.00 0.00 C ATOM 125 CG1 VAL A 10 8.130 10.870 1.464 1.00 0.00 C ATOM 126 CG2 VAL A 10 10.620 11.117 1.461 1.00 0.00 C ATOM 0 H VAL A 10 10.704 8.927 0.876 1.00 0.00 H new ATOM 0 HA VAL A 10 8.475 9.760 -0.849 1.00 0.00 H new ATOM 0 HB VAL A 10 9.268 12.056 0.067 1.00 0.00 H new ATOM 0 HG11 VAL A 10 8.055 11.670 2.201 1.00 0.00 H new ATOM 0 HG12 VAL A 10 7.234 10.864 0.843 1.00 0.00 H new ATOM 0 HG13 VAL A 10 8.223 9.912 1.976 1.00 0.00 H new ATOM 0 HG21 VAL A 10 10.540 11.917 2.197 1.00 0.00 H new ATOM 0 HG22 VAL A 10 10.718 10.161 1.975 1.00 0.00 H new ATOM 0 HG23 VAL A 10 11.497 11.285 0.836 1.00 0.00 H new ATOM 136 N ASN A 11 9.994 10.046 -2.815 1.00 0.00 N ATOM 137 CA ASN A 11 10.771 10.401 -3.996 1.00 0.00 C ATOM 138 C ASN A 11 10.389 11.795 -4.481 1.00 0.00 C ATOM 139 O ASN A 11 9.763 12.567 -3.752 1.00 0.00 O ATOM 140 CB ASN A 11 10.520 9.379 -5.110 1.00 0.00 C ATOM 141 CG ASN A 11 10.987 7.995 -4.669 1.00 0.00 C ATOM 142 OD1 ASN A 11 12.101 7.845 -4.166 1.00 0.00 O ATOM 143 ND2 ASN A 11 10.198 6.969 -4.829 1.00 0.00 N ATOM 0 H ASN A 11 9.152 9.503 -3.009 1.00 0.00 H new ATOM 0 HA ASN A 11 11.829 10.397 -3.734 1.00 0.00 H new ATOM 0 HB2 ASN A 11 9.459 9.352 -5.356 1.00 0.00 H new ATOM 0 HB3 ASN A 11 11.049 9.679 -6.015 1.00 0.00 H new ATOM 0 HD21 ASN A 11 10.503 6.040 -4.537 1.00 0.00 H new ATOM 0 HD22 ASN A 11 9.276 7.095 -5.246 1.00 0.00 H new ATOM 150 N ASP A 12 10.751 12.100 -5.722 1.00 0.00 N ATOM 151 CA ASP A 12 10.427 13.390 -6.315 1.00 0.00 C ATOM 152 C ASP A 12 9.254 13.207 -7.261 1.00 0.00 C ATOM 153 O ASP A 12 8.906 14.097 -8.037 1.00 0.00 O ATOM 154 CB ASP A 12 11.636 13.936 -7.080 1.00 0.00 C ATOM 155 CG ASP A 12 11.504 15.446 -7.268 1.00 0.00 C ATOM 156 OD1 ASP A 12 11.808 16.169 -6.332 1.00 0.00 O ATOM 157 OD2 ASP A 12 11.098 15.857 -8.343 1.00 0.00 O ATOM 0 H ASP A 12 11.269 11.471 -6.336 1.00 0.00 H new ATOM 0 HA ASP A 12 10.165 14.101 -5.532 1.00 0.00 H new ATOM 0 HB2 ASP A 12 12.553 13.709 -6.536 1.00 0.00 H new ATOM 0 HB3 ASP A 12 11.712 13.447 -8.051 1.00 0.00 H new ATOM 162 N ASP A 13 8.665 12.018 -7.191 1.00 0.00 N ATOM 163 CA ASP A 13 7.543 11.663 -8.040 1.00 0.00 C ATOM 164 C ASP A 13 6.303 11.379 -7.195 1.00 0.00 C ATOM 165 O ASP A 13 5.176 11.446 -7.689 1.00 0.00 O ATOM 166 CB ASP A 13 7.928 10.427 -8.853 1.00 0.00 C ATOM 167 CG ASP A 13 6.802 10.028 -9.805 1.00 0.00 C ATOM 168 OD1 ASP A 13 6.264 10.906 -10.462 1.00 0.00 O ATOM 169 OD2 ASP A 13 6.500 8.849 -9.870 1.00 0.00 O ATOM 0 H ASP A 13 8.952 11.281 -6.548 1.00 0.00 H new ATOM 0 HA ASP A 13 7.308 12.491 -8.709 1.00 0.00 H new ATOM 0 HB2 ASP A 13 8.836 10.629 -9.422 1.00 0.00 H new ATOM 0 HB3 ASP A 13 8.151 9.599 -8.180 1.00 0.00 H new ATOM 174 N GLY A 14 6.524 11.062 -5.922 1.00 0.00 N ATOM 175 CA GLY A 14 5.428 10.769 -5.009 1.00 0.00 C ATOM 176 C GLY A 14 5.947 10.076 -3.755 1.00 0.00 C ATOM 177 O GLY A 14 6.863 10.569 -3.094 1.00 0.00 O ATOM 0 H GLY A 14 7.451 11.002 -5.502 1.00 0.00 H new ATOM 0 HA2 GLY A 14 4.918 11.693 -4.736 1.00 0.00 H new ATOM 0 HA3 GLY A 14 4.694 10.134 -5.505 1.00 0.00 H new ATOM 181 N LEU A 15 5.362 8.924 -3.438 1.00 0.00 N ATOM 182 CA LEU A 15 5.778 8.163 -2.262 1.00 0.00 C ATOM 183 C LEU A 15 5.692 6.663 -2.532 1.00 0.00 C ATOM 184 O LEU A 15 4.877 6.212 -3.337 1.00 0.00 O ATOM 185 CB LEU A 15 4.915 8.543 -1.047 1.00 0.00 C ATOM 186 CG LEU A 15 3.466 8.082 -1.236 1.00 0.00 C ATOM 187 CD1 LEU A 15 2.848 7.786 0.134 1.00 0.00 C ATOM 188 CD2 LEU A 15 2.661 9.192 -1.921 1.00 0.00 C ATOM 0 H LEU A 15 4.605 8.499 -3.973 1.00 0.00 H new ATOM 0 HA LEU A 15 6.816 8.410 -2.041 1.00 0.00 H new ATOM 0 HB2 LEU A 15 5.330 8.090 -0.146 1.00 0.00 H new ATOM 0 HB3 LEU A 15 4.941 9.623 -0.902 1.00 0.00 H new ATOM 0 HG LEU A 15 3.448 7.183 -1.853 1.00 0.00 H new ATOM 0 HD11 LEU A 15 1.817 7.458 0.005 1.00 0.00 H new ATOM 0 HD12 LEU A 15 3.420 7.001 0.629 1.00 0.00 H new ATOM 0 HD13 LEU A 15 2.867 8.689 0.745 1.00 0.00 H new ATOM 0 HD21 LEU A 15 1.630 8.864 -2.055 1.00 0.00 H new ATOM 0 HD22 LEU A 15 2.679 10.089 -1.302 1.00 0.00 H new ATOM 0 HD23 LEU A 15 3.101 9.413 -2.893 1.00 0.00 H new ATOM 200 N VAL A 16 6.546 5.899 -1.858 1.00 0.00 N ATOM 201 CA VAL A 16 6.578 4.452 -2.026 1.00 0.00 C ATOM 202 C VAL A 16 5.951 3.769 -0.820 1.00 0.00 C ATOM 203 O VAL A 16 6.115 4.226 0.311 1.00 0.00 O ATOM 204 CB VAL A 16 8.027 3.987 -2.187 1.00 0.00 C ATOM 205 CG1 VAL A 16 8.059 2.491 -2.505 1.00 0.00 C ATOM 206 CG2 VAL A 16 8.688 4.761 -3.332 1.00 0.00 C ATOM 0 H VAL A 16 7.226 6.260 -1.189 1.00 0.00 H new ATOM 0 HA VAL A 16 6.009 4.185 -2.917 1.00 0.00 H new ATOM 0 HB VAL A 16 8.567 4.171 -1.258 1.00 0.00 H new ATOM 0 HG11 VAL A 16 9.093 2.165 -2.619 1.00 0.00 H new ATOM 0 HG12 VAL A 16 7.591 1.936 -1.692 1.00 0.00 H new ATOM 0 HG13 VAL A 16 7.516 2.304 -3.431 1.00 0.00 H new ATOM 0 HG21 VAL A 16 9.720 4.430 -3.447 1.00 0.00 H new ATOM 0 HG22 VAL A 16 8.143 4.577 -4.258 1.00 0.00 H new ATOM 0 HG23 VAL A 16 8.672 5.827 -3.107 1.00 0.00 H new ATOM 216 N LEU A 17 5.232 2.674 -1.065 1.00 0.00 N ATOM 217 CA LEU A 17 4.584 1.944 0.019 1.00 0.00 C ATOM 218 C LEU A 17 5.014 0.480 0.018 1.00 0.00 C ATOM 219 O LEU A 17 4.401 -0.360 -0.641 1.00 0.00 O ATOM 220 CB LEU A 17 3.058 2.035 -0.128 1.00 0.00 C ATOM 221 CG LEU A 17 2.455 2.814 1.049 1.00 0.00 C ATOM 222 CD1 LEU A 17 2.747 2.081 2.364 1.00 0.00 C ATOM 223 CD2 LEU A 17 3.057 4.223 1.099 1.00 0.00 C ATOM 0 H LEU A 17 5.086 2.278 -1.994 1.00 0.00 H new ATOM 0 HA LEU A 17 4.885 2.394 0.965 1.00 0.00 H new ATOM 0 HB2 LEU A 17 2.805 2.528 -1.067 1.00 0.00 H new ATOM 0 HB3 LEU A 17 2.629 1.034 -0.168 1.00 0.00 H new ATOM 0 HG LEU A 17 1.376 2.887 0.913 1.00 0.00 H new ATOM 0 HD11 LEU A 17 2.316 2.639 3.195 1.00 0.00 H new ATOM 0 HD12 LEU A 17 2.308 1.084 2.330 1.00 0.00 H new ATOM 0 HD13 LEU A 17 3.825 1.998 2.503 1.00 0.00 H new ATOM 0 HD21 LEU A 17 2.627 4.773 1.936 1.00 0.00 H new ATOM 0 HD22 LEU A 17 4.137 4.153 1.228 1.00 0.00 H new ATOM 0 HD23 LEU A 17 2.836 4.746 0.169 1.00 0.00 H new ATOM 235 N ARG A 18 6.063 0.186 0.781 1.00 0.00 N ATOM 236 CA ARG A 18 6.580 -1.174 0.894 1.00 0.00 C ATOM 237 C ARG A 18 5.992 -1.838 2.131 1.00 0.00 C ATOM 238 O ARG A 18 6.259 -1.417 3.259 1.00 0.00 O ATOM 239 CB ARG A 18 8.111 -1.133 0.982 1.00 0.00 C ATOM 240 CG ARG A 18 8.715 -1.636 -0.330 1.00 0.00 C ATOM 241 CD ARG A 18 8.944 -3.147 -0.251 1.00 0.00 C ATOM 242 NE ARG A 18 10.127 -3.436 0.551 1.00 0.00 N ATOM 243 CZ ARG A 18 11.315 -3.625 -0.015 1.00 0.00 C ATOM 244 NH1 ARG A 18 12.062 -2.601 -0.327 1.00 0.00 N ATOM 245 NH2 ARG A 18 11.734 -4.836 -0.261 1.00 0.00 N ATOM 0 H ARG A 18 6.574 0.875 1.333 1.00 0.00 H new ATOM 0 HA ARG A 18 6.295 -1.753 0.016 1.00 0.00 H new ATOM 0 HB2 ARG A 18 8.447 -0.115 1.182 1.00 0.00 H new ATOM 0 HB3 ARG A 18 8.454 -1.750 1.812 1.00 0.00 H new ATOM 0 HG2 ARG A 18 8.048 -1.403 -1.160 1.00 0.00 H new ATOM 0 HG3 ARG A 18 9.658 -1.126 -0.526 1.00 0.00 H new ATOM 0 HD2 ARG A 18 8.072 -3.632 0.187 1.00 0.00 H new ATOM 0 HD3 ARG A 18 9.067 -3.556 -1.254 1.00 0.00 H new ATOM 0 HE ARG A 18 10.041 -3.494 1.566 1.00 0.00 H new ATOM 0 HH11 ARG A 18 11.735 -1.654 -0.137 1.00 0.00 H new ATOM 0 HH12 ARG A 18 12.973 -2.748 -0.761 1.00 0.00 H new ATOM 0 HH21 ARG A 18 11.150 -5.637 -0.019 1.00 0.00 H new ATOM 0 HH22 ARG A 18 12.645 -4.982 -0.695 1.00 0.00 H new ATOM 259 N LEU A 19 5.168 -2.861 1.913 1.00 0.00 N ATOM 260 CA LEU A 19 4.527 -3.551 3.030 1.00 0.00 C ATOM 261 C LEU A 19 4.479 -5.066 2.837 1.00 0.00 C ATOM 262 O LEU A 19 4.783 -5.590 1.764 1.00 0.00 O ATOM 263 CB LEU A 19 3.096 -3.026 3.213 1.00 0.00 C ATOM 264 CG LEU A 19 2.283 -3.224 1.925 1.00 0.00 C ATOM 265 CD1 LEU A 19 0.925 -3.864 2.260 1.00 0.00 C ATOM 266 CD2 LEU A 19 2.051 -1.865 1.258 1.00 0.00 C ATOM 0 H LEU A 19 4.931 -3.225 0.990 1.00 0.00 H new ATOM 0 HA LEU A 19 5.129 -3.348 3.915 1.00 0.00 H new ATOM 0 HB2 LEU A 19 2.613 -3.548 4.039 1.00 0.00 H new ATOM 0 HB3 LEU A 19 3.121 -1.968 3.476 1.00 0.00 H new ATOM 0 HG LEU A 19 2.833 -3.878 1.249 1.00 0.00 H new ATOM 0 HD11 LEU A 19 0.352 -4.002 1.343 1.00 0.00 H new ATOM 0 HD12 LEU A 19 1.086 -4.831 2.737 1.00 0.00 H new ATOM 0 HD13 LEU A 19 0.373 -3.213 2.938 1.00 0.00 H new ATOM 0 HD21 LEU A 19 1.474 -2.002 0.343 1.00 0.00 H new ATOM 0 HD22 LEU A 19 1.502 -1.214 1.939 1.00 0.00 H new ATOM 0 HD23 LEU A 19 3.011 -1.410 1.016 1.00 0.00 H new ATOM 278 N TYR A 20 4.060 -5.741 3.905 1.00 0.00 N ATOM 279 CA TYR A 20 3.915 -7.190 3.923 1.00 0.00 C ATOM 280 C TYR A 20 2.433 -7.520 3.785 1.00 0.00 C ATOM 281 O TYR A 20 1.681 -7.502 4.762 1.00 0.00 O ATOM 282 CB TYR A 20 4.465 -7.734 5.249 1.00 0.00 C ATOM 283 CG TYR A 20 4.721 -9.221 5.160 1.00 0.00 C ATOM 284 CD1 TYR A 20 5.689 -9.717 4.277 1.00 0.00 C ATOM 285 CD2 TYR A 20 4.008 -10.102 5.984 1.00 0.00 C ATOM 286 CE1 TYR A 20 5.944 -11.093 4.220 1.00 0.00 C ATOM 287 CE2 TYR A 20 4.260 -11.476 5.923 1.00 0.00 C ATOM 288 CZ TYR A 20 5.227 -11.971 5.043 1.00 0.00 C ATOM 289 OH TYR A 20 5.482 -13.327 4.992 1.00 0.00 O ATOM 0 H TYR A 20 3.811 -5.293 4.787 1.00 0.00 H new ATOM 0 HA TYR A 20 4.469 -7.647 3.103 1.00 0.00 H new ATOM 0 HB2 TYR A 20 5.390 -7.217 5.503 1.00 0.00 H new ATOM 0 HB3 TYR A 20 3.756 -7.531 6.052 1.00 0.00 H new ATOM 0 HD1 TYR A 20 6.238 -9.039 3.641 1.00 0.00 H new ATOM 0 HD2 TYR A 20 3.263 -9.720 6.667 1.00 0.00 H new ATOM 0 HE1 TYR A 20 6.692 -11.477 3.542 1.00 0.00 H new ATOM 0 HE2 TYR A 20 3.708 -12.155 6.556 1.00 0.00 H new ATOM 0 HH TYR A 20 6.062 -13.579 5.741 1.00 0.00 H new ATOM 299 N ILE A 21 2.018 -7.769 2.550 1.00 0.00 N ATOM 300 CA ILE A 21 0.619 -8.048 2.252 1.00 0.00 C ATOM 301 C ILE A 21 0.206 -9.433 2.747 1.00 0.00 C ATOM 302 O ILE A 21 0.861 -10.436 2.459 1.00 0.00 O ATOM 303 CB ILE A 21 0.397 -7.891 0.731 1.00 0.00 C ATOM 304 CG1 ILE A 21 -0.627 -6.783 0.470 1.00 0.00 C ATOM 305 CG2 ILE A 21 -0.100 -9.187 0.093 1.00 0.00 C ATOM 306 CD1 ILE A 21 -2.022 -7.233 0.916 1.00 0.00 C ATOM 0 H ILE A 21 2.632 -7.783 1.736 1.00 0.00 H new ATOM 0 HA ILE A 21 -0.015 -7.336 2.781 1.00 0.00 H new ATOM 0 HB ILE A 21 1.357 -7.635 0.283 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -0.340 -5.879 1.007 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -0.640 -6.533 -0.591 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -0.244 -9.034 -0.977 1.00 0.00 H new ATOM 0 HG22 ILE A 21 0.635 -9.976 0.251 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -1.047 -9.477 0.548 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -2.740 -6.436 0.725 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -2.312 -8.124 0.359 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -2.008 -7.460 1.982 1.00 0.00 H new ATOM 318 N GLN A 22 -0.896 -9.462 3.499 1.00 0.00 N ATOM 319 CA GLN A 22 -1.428 -10.704 4.050 1.00 0.00 C ATOM 320 C GLN A 22 -2.892 -10.870 3.641 1.00 0.00 C ATOM 321 O GLN A 22 -3.798 -10.415 4.341 1.00 0.00 O ATOM 322 CB GLN A 22 -1.326 -10.683 5.584 1.00 0.00 C ATOM 323 CG GLN A 22 -0.405 -11.807 6.069 1.00 0.00 C ATOM 324 CD GLN A 22 -1.057 -13.171 5.839 1.00 0.00 C ATOM 325 OE1 GLN A 22 -1.943 -13.309 4.994 1.00 0.00 O ATOM 326 NE2 GLN A 22 -0.667 -14.197 6.546 1.00 0.00 N ATOM 0 H GLN A 22 -1.438 -8.632 3.740 1.00 0.00 H new ATOM 0 HA GLN A 22 -0.846 -11.539 3.660 1.00 0.00 H new ATOM 0 HB2 GLN A 22 -0.941 -9.719 5.917 1.00 0.00 H new ATOM 0 HB3 GLN A 22 -2.317 -10.800 6.023 1.00 0.00 H new ATOM 0 HG2 GLN A 22 0.547 -11.759 5.540 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -0.188 -11.675 7.129 1.00 0.00 H new ATOM 0 HE21 GLN A 22 0.066 -14.085 7.246 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -1.096 -15.111 6.398 1.00 0.00 H new ATOM 335 N PRO A 23 -3.140 -11.503 2.525 1.00 0.00 N ATOM 336 CA PRO A 23 -4.519 -11.723 2.017 1.00 0.00 C ATOM 337 C PRO A 23 -5.236 -12.833 2.776 1.00 0.00 C ATOM 338 O PRO A 23 -4.598 -13.707 3.363 1.00 0.00 O ATOM 339 CB PRO A 23 -4.329 -12.102 0.539 1.00 0.00 C ATOM 340 CG PRO A 23 -2.853 -12.080 0.271 1.00 0.00 C ATOM 341 CD PRO A 23 -2.144 -12.082 1.624 1.00 0.00 C ATOM 0 HA PRO A 23 -5.141 -10.838 2.147 1.00 0.00 H new ATOM 0 HB2 PRO A 23 -4.744 -13.090 0.337 1.00 0.00 H new ATOM 0 HB3 PRO A 23 -4.850 -11.399 -0.110 1.00 0.00 H new ATOM 0 HG2 PRO A 23 -2.557 -12.947 -0.319 1.00 0.00 H new ATOM 0 HG3 PRO A 23 -2.580 -11.195 -0.304 1.00 0.00 H new ATOM 0 HD2 PRO A 23 -1.862 -13.090 1.929 1.00 0.00 H new ATOM 0 HD3 PRO A 23 -1.230 -11.489 1.600 1.00 0.00 H new ATOM 349 N LYS A 24 -6.566 -12.784 2.756 1.00 0.00 N ATOM 350 CA LYS A 24 -7.385 -13.784 3.438 1.00 0.00 C ATOM 351 C LYS A 24 -7.314 -13.597 4.952 1.00 0.00 C ATOM 352 O LYS A 24 -7.017 -14.537 5.692 1.00 0.00 O ATOM 353 CB LYS A 24 -6.932 -15.206 3.071 1.00 0.00 C ATOM 354 CG LYS A 24 -6.810 -15.341 1.549 1.00 0.00 C ATOM 355 CD LYS A 24 -6.201 -16.703 1.204 1.00 0.00 C ATOM 356 CE LYS A 24 -4.676 -16.632 1.320 1.00 0.00 C ATOM 357 NZ LYS A 24 -4.079 -17.905 0.828 1.00 0.00 N ATOM 0 H LYS A 24 -7.101 -12.061 2.274 1.00 0.00 H new ATOM 0 HA LYS A 24 -8.416 -13.648 3.111 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -5.973 -15.424 3.542 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -7.647 -15.934 3.453 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -7.791 -15.241 1.085 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -6.186 -14.541 1.151 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -6.591 -17.467 1.876 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -6.485 -16.993 0.192 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -4.296 -15.792 0.739 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -4.387 -16.460 2.357 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -3.164 -18.063 1.297 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -4.720 -18.695 1.043 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -3.935 -17.846 -0.200 1.00 0.00 H new ATOM 371 N ALA A 25 -7.596 -12.380 5.407 1.00 0.00 N ATOM 372 CA ALA A 25 -7.571 -12.084 6.823 1.00 0.00 C ATOM 373 C ALA A 25 -8.992 -12.107 7.366 1.00 0.00 C ATOM 374 O ALA A 25 -9.316 -12.901 8.251 1.00 0.00 O ATOM 375 CB ALA A 25 -6.936 -10.711 7.038 1.00 0.00 C ATOM 0 H ALA A 25 -7.843 -11.589 4.812 1.00 0.00 H new ATOM 0 HA ALA A 25 -6.981 -12.832 7.353 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -6.915 -10.483 8.104 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -5.918 -10.716 6.647 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -7.521 -9.954 6.517 1.00 0.00 H new ATOM 381 N SER A 26 -9.830 -11.235 6.807 1.00 0.00 N ATOM 382 CA SER A 26 -11.236 -11.127 7.196 1.00 0.00 C ATOM 383 C SER A 26 -11.753 -9.745 6.821 1.00 0.00 C ATOM 384 O SER A 26 -12.926 -9.575 6.492 1.00 0.00 O ATOM 385 CB SER A 26 -11.410 -11.340 8.706 1.00 0.00 C ATOM 386 OG SER A 26 -11.814 -12.682 8.947 1.00 0.00 O ATOM 0 H SER A 26 -9.554 -10.584 6.072 1.00 0.00 H new ATOM 0 HA SER A 26 -11.800 -11.899 6.672 1.00 0.00 H new ATOM 0 HB2 SER A 26 -10.474 -11.131 9.225 1.00 0.00 H new ATOM 0 HB3 SER A 26 -12.154 -10.648 9.099 1.00 0.00 H new ATOM 0 HG SER A 26 -11.054 -13.284 8.800 1.00 0.00 H new ATOM 392 N ARG A 27 -10.846 -8.772 6.869 1.00 0.00 N ATOM 393 CA ARG A 27 -11.165 -7.382 6.538 1.00 0.00 C ATOM 394 C ARG A 27 -9.874 -6.593 6.378 1.00 0.00 C ATOM 395 O ARG A 27 -8.894 -6.859 7.075 1.00 0.00 O ATOM 396 CB ARG A 27 -11.992 -6.730 7.658 1.00 0.00 C ATOM 397 CG ARG A 27 -13.441 -7.227 7.624 1.00 0.00 C ATOM 398 CD ARG A 27 -14.349 -6.217 8.337 1.00 0.00 C ATOM 399 NE ARG A 27 -13.764 -5.815 9.614 1.00 0.00 N ATOM 400 CZ ARG A 27 -14.519 -5.347 10.603 1.00 0.00 C ATOM 401 NH1 ARG A 27 -15.448 -4.462 10.358 1.00 0.00 N ATOM 402 NH2 ARG A 27 -14.330 -5.775 11.821 1.00 0.00 N ATOM 0 H ARG A 27 -9.873 -8.922 7.137 1.00 0.00 H new ATOM 0 HA ARG A 27 -11.741 -7.375 5.613 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -11.547 -6.960 8.626 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -11.972 -5.646 7.547 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -13.767 -7.359 6.592 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -13.513 -8.201 8.108 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -14.495 -5.341 7.705 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -15.332 -6.657 8.503 1.00 0.00 H new ATOM 0 HE ARG A 27 -12.756 -5.895 9.749 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -15.596 -4.128 9.406 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -16.026 -4.105 11.119 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -13.605 -6.466 12.012 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -14.907 -5.418 12.582 1.00 0.00 H new ATOM 416 N ASP A 28 -9.878 -5.612 5.480 1.00 0.00 N ATOM 417 CA ASP A 28 -8.695 -4.785 5.267 1.00 0.00 C ATOM 418 C ASP A 28 -8.397 -4.005 6.533 1.00 0.00 C ATOM 419 O ASP A 28 -8.939 -2.922 6.761 1.00 0.00 O ATOM 420 CB ASP A 28 -8.891 -3.811 4.109 1.00 0.00 C ATOM 421 CG ASP A 28 -10.027 -4.269 3.197 1.00 0.00 C ATOM 422 OD1 ASP A 28 -11.174 -4.055 3.556 1.00 0.00 O ATOM 423 OD2 ASP A 28 -9.734 -4.824 2.151 1.00 0.00 O ATOM 0 H ASP A 28 -10.678 -5.372 4.894 1.00 0.00 H new ATOM 0 HA ASP A 28 -7.862 -5.442 5.018 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -9.110 -2.817 4.498 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -7.968 -3.732 3.535 1.00 0.00 H new ATOM 428 N SER A 29 -7.557 -4.588 7.362 1.00 0.00 N ATOM 429 CA SER A 29 -7.200 -3.973 8.637 1.00 0.00 C ATOM 430 C SER A 29 -5.685 -3.918 8.838 1.00 0.00 C ATOM 431 O SER A 29 -5.014 -4.951 8.879 1.00 0.00 O ATOM 432 CB SER A 29 -7.840 -4.765 9.779 1.00 0.00 C ATOM 433 OG SER A 29 -8.671 -3.898 10.543 1.00 0.00 O ATOM 0 H SER A 29 -7.106 -5.485 7.183 1.00 0.00 H new ATOM 0 HA SER A 29 -7.572 -2.948 8.632 1.00 0.00 H new ATOM 0 HB2 SER A 29 -8.427 -5.592 9.379 1.00 0.00 H new ATOM 0 HB3 SER A 29 -7.068 -5.200 10.413 1.00 0.00 H new ATOM 0 HG SER A 29 -9.084 -4.402 11.275 1.00 0.00 H new ATOM 439 N ILE A 30 -5.164 -2.700 8.992 1.00 0.00 N ATOM 440 CA ILE A 30 -3.733 -2.504 9.225 1.00 0.00 C ATOM 441 C ILE A 30 -3.452 -2.668 10.720 1.00 0.00 C ATOM 442 O ILE A 30 -3.296 -1.691 11.455 1.00 0.00 O ATOM 443 CB ILE A 30 -3.283 -1.116 8.728 1.00 0.00 C ATOM 444 CG1 ILE A 30 -4.502 -0.191 8.566 1.00 0.00 C ATOM 445 CG2 ILE A 30 -2.584 -1.267 7.374 1.00 0.00 C ATOM 446 CD1 ILE A 30 -4.056 1.178 8.038 1.00 0.00 C ATOM 0 H ILE A 30 -5.709 -1.838 8.960 1.00 0.00 H new ATOM 0 HA ILE A 30 -3.166 -3.248 8.666 1.00 0.00 H new ATOM 0 HB ILE A 30 -2.598 -0.682 9.456 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -5.220 -0.639 7.879 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -5.009 -0.073 9.524 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -2.264 -0.288 7.019 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -1.715 -1.915 7.484 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -3.275 -1.706 6.655 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -4.925 1.826 7.927 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -3.356 1.629 8.741 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -3.570 1.054 7.070 1.00 0.00 H new ATOM 458 N VAL A 31 -3.440 -3.926 11.152 1.00 0.00 N ATOM 459 CA VAL A 31 -3.236 -4.282 12.556 1.00 0.00 C ATOM 460 C VAL A 31 -1.846 -4.885 12.802 1.00 0.00 C ATOM 461 O VAL A 31 -1.633 -5.569 13.805 1.00 0.00 O ATOM 462 CB VAL A 31 -4.327 -5.270 12.995 1.00 0.00 C ATOM 463 CG1 VAL A 31 -4.198 -5.568 14.494 1.00 0.00 C ATOM 464 CG2 VAL A 31 -5.709 -4.660 12.722 1.00 0.00 C ATOM 0 H VAL A 31 -3.572 -4.730 10.538 1.00 0.00 H new ATOM 0 HA VAL A 31 -3.300 -3.369 13.148 1.00 0.00 H new ATOM 0 HB VAL A 31 -4.211 -6.197 12.433 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -4.977 -6.269 14.794 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -3.220 -6.004 14.695 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -4.306 -4.643 15.060 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -6.484 -5.361 13.033 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -5.814 -3.731 13.282 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -5.812 -4.455 11.656 1.00 0.00 H new ATOM 474 N GLY A 32 -0.902 -4.651 11.891 1.00 0.00 N ATOM 475 CA GLY A 32 0.436 -5.206 12.052 1.00 0.00 C ATOM 476 C GLY A 32 1.476 -4.228 11.552 1.00 0.00 C ATOM 477 O GLY A 32 2.566 -4.611 11.133 1.00 0.00 O ATOM 0 H GLY A 32 -1.037 -4.091 11.049 1.00 0.00 H new ATOM 0 HA2 GLY A 32 0.618 -5.435 13.102 1.00 0.00 H new ATOM 0 HA3 GLY A 32 0.516 -6.144 11.503 1.00 0.00 H new ATOM 481 N LEU A 33 1.124 -2.956 11.621 1.00 0.00 N ATOM 482 CA LEU A 33 2.017 -1.898 11.196 1.00 0.00 C ATOM 483 C LEU A 33 3.272 -1.895 12.058 1.00 0.00 C ATOM 484 O LEU A 33 3.192 -1.875 13.287 1.00 0.00 O ATOM 485 CB LEU A 33 1.285 -0.563 11.311 1.00 0.00 C ATOM 486 CG LEU A 33 0.116 -0.535 10.322 1.00 0.00 C ATOM 487 CD1 LEU A 33 -0.364 0.905 10.140 1.00 0.00 C ATOM 488 CD2 LEU A 33 0.568 -1.102 8.972 1.00 0.00 C ATOM 0 H LEU A 33 0.222 -2.632 11.969 1.00 0.00 H new ATOM 0 HA LEU A 33 2.318 -2.059 10.161 1.00 0.00 H new ATOM 0 HB2 LEU A 33 0.918 -0.424 12.328 1.00 0.00 H new ATOM 0 HB3 LEU A 33 1.970 0.259 11.104 1.00 0.00 H new ATOM 0 HG LEU A 33 -0.701 -1.143 10.711 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -1.196 0.925 9.436 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -0.691 1.303 11.100 1.00 0.00 H new ATOM 0 HD13 LEU A 33 0.453 1.515 9.754 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -0.266 -1.081 8.271 1.00 0.00 H new ATOM 0 HD22 LEU A 33 1.387 -0.499 8.580 1.00 0.00 H new ATOM 0 HD23 LEU A 33 0.905 -2.130 9.104 1.00 0.00 H new ATOM 500 N HIS A 34 4.426 -1.942 11.403 1.00 0.00 N ATOM 501 CA HIS A 34 5.698 -1.970 12.112 1.00 0.00 C ATOM 502 C HIS A 34 6.496 -0.686 11.867 1.00 0.00 C ATOM 503 O HIS A 34 6.293 0.008 10.870 1.00 0.00 O ATOM 504 CB HIS A 34 6.500 -3.195 11.653 1.00 0.00 C ATOM 505 CG HIS A 34 7.738 -3.350 12.496 1.00 0.00 C ATOM 506 ND1 HIS A 34 7.801 -2.918 13.812 1.00 0.00 N ATOM 507 CD2 HIS A 34 8.970 -3.892 12.222 1.00 0.00 C ATOM 508 CE1 HIS A 34 9.031 -3.204 14.276 1.00 0.00 C ATOM 509 NE2 HIS A 34 9.784 -3.799 13.347 1.00 0.00 N ATOM 0 H HIS A 34 4.507 -1.961 10.386 1.00 0.00 H new ATOM 0 HA HIS A 34 5.505 -2.037 13.183 1.00 0.00 H new ATOM 0 HB2 HIS A 34 5.885 -4.091 11.729 1.00 0.00 H new ATOM 0 HB3 HIS A 34 6.776 -3.086 10.604 1.00 0.00 H new ATOM 0 HD2 HIS A 34 9.263 -4.325 11.277 1.00 0.00 H new ATOM 0 HE1 HIS A 34 9.368 -2.980 15.277 1.00 0.00 H new ATOM 0 HE2 HIS A 34 10.749 -4.117 13.442 1.00 0.00 H new ATOM 517 N GLY A 35 7.407 -0.377 12.786 1.00 0.00 N ATOM 518 CA GLY A 35 8.234 0.819 12.660 1.00 0.00 C ATOM 519 C GLY A 35 9.227 0.664 11.512 1.00 0.00 C ATOM 520 O GLY A 35 9.753 1.650 10.996 1.00 0.00 O ATOM 0 H GLY A 35 7.590 -0.934 13.621 1.00 0.00 H new ATOM 0 HA2 GLY A 35 7.601 1.689 12.486 1.00 0.00 H new ATOM 0 HA3 GLY A 35 8.771 0.997 13.592 1.00 0.00 H new ATOM 524 N ASP A 36 9.473 -0.586 11.122 1.00 0.00 N ATOM 525 CA ASP A 36 10.402 -0.877 10.034 1.00 0.00 C ATOM 526 C ASP A 36 9.671 -1.527 8.863 1.00 0.00 C ATOM 527 O ASP A 36 10.191 -1.565 7.748 1.00 0.00 O ATOM 528 CB ASP A 36 11.507 -1.816 10.529 1.00 0.00 C ATOM 529 CG ASP A 36 12.302 -1.152 11.653 1.00 0.00 C ATOM 530 OD1 ASP A 36 11.717 -0.882 12.691 1.00 0.00 O ATOM 531 OD2 ASP A 36 13.488 -0.932 11.463 1.00 0.00 O ATOM 0 H ASP A 36 9.043 -1.410 11.542 1.00 0.00 H new ATOM 0 HA ASP A 36 10.843 0.061 9.698 1.00 0.00 H new ATOM 0 HB2 ASP A 36 11.069 -2.748 10.886 1.00 0.00 H new ATOM 0 HB3 ASP A 36 12.173 -2.071 9.705 1.00 0.00 H new ATOM 536 N GLU A 37 8.465 -2.038 9.122 1.00 0.00 N ATOM 537 CA GLU A 37 7.676 -2.686 8.076 1.00 0.00 C ATOM 538 C GLU A 37 6.198 -2.322 8.216 1.00 0.00 C ATOM 539 O GLU A 37 5.827 -1.510 9.059 1.00 0.00 O ATOM 540 CB GLU A 37 7.845 -4.211 8.153 1.00 0.00 C ATOM 541 CG GLU A 37 9.087 -4.639 7.357 1.00 0.00 C ATOM 542 CD GLU A 37 8.834 -4.528 5.849 1.00 0.00 C ATOM 543 OE1 GLU A 37 7.693 -4.328 5.461 1.00 0.00 O ATOM 544 OE2 GLU A 37 9.792 -4.649 5.102 1.00 0.00 O ATOM 0 H GLU A 37 8.018 -2.016 10.039 1.00 0.00 H new ATOM 0 HA GLU A 37 8.034 -2.335 7.108 1.00 0.00 H new ATOM 0 HB2 GLU A 37 7.943 -4.523 9.193 1.00 0.00 H new ATOM 0 HB3 GLU A 37 6.959 -4.705 7.754 1.00 0.00 H new ATOM 0 HG2 GLU A 37 9.935 -4.014 7.635 1.00 0.00 H new ATOM 0 HG3 GLU A 37 9.351 -5.666 7.611 1.00 0.00 H new ATOM 551 N VAL A 38 5.360 -2.931 7.385 1.00 0.00 N ATOM 552 CA VAL A 38 3.923 -2.670 7.422 1.00 0.00 C ATOM 553 C VAL A 38 3.161 -3.959 7.154 1.00 0.00 C ATOM 554 O VAL A 38 3.219 -4.496 6.052 1.00 0.00 O ATOM 555 CB VAL A 38 3.541 -1.616 6.370 1.00 0.00 C ATOM 556 CG1 VAL A 38 2.029 -1.676 6.091 1.00 0.00 C ATOM 557 CG2 VAL A 38 3.905 -0.221 6.889 1.00 0.00 C ATOM 0 H VAL A 38 5.648 -3.608 6.678 1.00 0.00 H new ATOM 0 HA VAL A 38 3.662 -2.290 8.410 1.00 0.00 H new ATOM 0 HB VAL A 38 4.085 -1.820 5.448 1.00 0.00 H new ATOM 0 HG11 VAL A 38 1.767 -0.926 5.345 1.00 0.00 H new ATOM 0 HG12 VAL A 38 1.767 -2.666 5.718 1.00 0.00 H new ATOM 0 HG13 VAL A 38 1.481 -1.478 7.012 1.00 0.00 H new ATOM 0 HG21 VAL A 38 3.634 0.527 6.143 1.00 0.00 H new ATOM 0 HG22 VAL A 38 3.363 -0.024 7.814 1.00 0.00 H new ATOM 0 HG23 VAL A 38 4.977 -0.172 7.079 1.00 0.00 H new ATOM 567 N LYS A 39 2.443 -4.452 8.155 1.00 0.00 N ATOM 568 CA LYS A 39 1.679 -5.677 7.976 1.00 0.00 C ATOM 569 C LYS A 39 0.192 -5.370 7.918 1.00 0.00 C ATOM 570 O LYS A 39 -0.411 -4.951 8.909 1.00 0.00 O ATOM 571 CB LYS A 39 1.975 -6.665 9.107 1.00 0.00 C ATOM 572 CG LYS A 39 2.358 -8.012 8.494 1.00 0.00 C ATOM 573 CD LYS A 39 2.227 -9.128 9.539 1.00 0.00 C ATOM 574 CE LYS A 39 0.780 -9.225 10.036 1.00 0.00 C ATOM 575 NZ LYS A 39 -0.163 -8.928 8.917 1.00 0.00 N ATOM 0 H LYS A 39 2.374 -4.031 9.082 1.00 0.00 H new ATOM 0 HA LYS A 39 1.977 -6.134 7.032 1.00 0.00 H new ATOM 0 HB2 LYS A 39 2.785 -6.291 9.733 1.00 0.00 H new ATOM 0 HB3 LYS A 39 1.101 -6.777 9.749 1.00 0.00 H new ATOM 0 HG2 LYS A 39 1.716 -8.227 7.640 1.00 0.00 H new ATOM 0 HG3 LYS A 39 3.381 -7.972 8.121 1.00 0.00 H new ATOM 0 HD2 LYS A 39 2.534 -10.080 9.105 1.00 0.00 H new ATOM 0 HD3 LYS A 39 2.894 -8.930 10.378 1.00 0.00 H new ATOM 0 HE2 LYS A 39 0.588 -10.223 10.430 1.00 0.00 H new ATOM 0 HE3 LYS A 39 0.620 -8.523 10.854 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -1.102 -9.313 9.143 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -0.233 -7.899 8.786 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 0.188 -9.366 8.041 1.00 0.00 H new ATOM 589 N VAL A 40 -0.390 -5.580 6.741 1.00 0.00 N ATOM 590 CA VAL A 40 -1.809 -5.326 6.539 1.00 0.00 C ATOM 591 C VAL A 40 -2.533 -6.617 6.192 1.00 0.00 C ATOM 592 O VAL A 40 -1.993 -7.479 5.495 1.00 0.00 O ATOM 593 CB VAL A 40 -2.006 -4.310 5.407 1.00 0.00 C ATOM 594 CG1 VAL A 40 -1.585 -4.932 4.070 1.00 0.00 C ATOM 595 CG2 VAL A 40 -3.482 -3.904 5.335 1.00 0.00 C ATOM 0 H VAL A 40 0.100 -5.925 5.915 1.00 0.00 H new ATOM 0 HA VAL A 40 -2.222 -4.922 7.463 1.00 0.00 H new ATOM 0 HB VAL A 40 -1.393 -3.431 5.605 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -1.727 -4.206 3.270 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -0.535 -5.219 4.117 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -2.194 -5.814 3.871 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -3.622 -3.182 4.531 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -4.093 -4.786 5.142 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -3.782 -3.455 6.282 1.00 0.00 H new ATOM 605 N ALA A 41 -3.762 -6.737 6.673 1.00 0.00 N ATOM 606 CA ALA A 41 -4.565 -7.917 6.400 1.00 0.00 C ATOM 607 C ALA A 41 -5.707 -7.548 5.466 1.00 0.00 C ATOM 608 O ALA A 41 -6.709 -6.988 5.900 1.00 0.00 O ATOM 609 CB ALA A 41 -5.127 -8.488 7.705 1.00 0.00 C ATOM 0 H ALA A 41 -4.222 -6.034 7.252 1.00 0.00 H new ATOM 0 HA ALA A 41 -3.938 -8.673 5.928 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -5.727 -9.372 7.487 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -4.305 -8.762 8.366 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -5.750 -7.738 8.192 1.00 0.00 H new ATOM 615 N ILE A 42 -5.549 -7.862 4.184 1.00 0.00 N ATOM 616 CA ILE A 42 -6.582 -7.545 3.207 1.00 0.00 C ATOM 617 C ILE A 42 -7.535 -8.728 3.064 1.00 0.00 C ATOM 618 O ILE A 42 -7.138 -9.882 3.224 1.00 0.00 O ATOM 619 CB ILE A 42 -5.936 -7.204 1.854 1.00 0.00 C ATOM 620 CG1 ILE A 42 -7.017 -6.749 0.865 1.00 0.00 C ATOM 621 CG2 ILE A 42 -5.219 -8.436 1.295 1.00 0.00 C ATOM 622 CD1 ILE A 42 -6.361 -6.083 -0.346 1.00 0.00 C ATOM 0 H ILE A 42 -4.727 -8.329 3.802 1.00 0.00 H new ATOM 0 HA ILE A 42 -7.149 -6.679 3.547 1.00 0.00 H new ATOM 0 HB ILE A 42 -5.213 -6.401 1.997 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -7.613 -7.604 0.544 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -7.698 -6.051 1.352 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -4.763 -8.188 0.336 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -4.445 -8.754 1.993 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -5.938 -9.244 1.157 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -7.132 -5.761 -1.046 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -5.785 -5.218 -0.018 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -5.698 -6.795 -0.838 1.00 0.00 H new ATOM 634 N THR A 43 -8.797 -8.425 2.780 1.00 0.00 N ATOM 635 CA THR A 43 -9.817 -9.464 2.636 1.00 0.00 C ATOM 636 C THR A 43 -9.928 -9.908 1.174 1.00 0.00 C ATOM 637 O THR A 43 -10.985 -10.352 0.720 1.00 0.00 O ATOM 638 CB THR A 43 -11.167 -8.936 3.165 1.00 0.00 C ATOM 639 OG1 THR A 43 -12.241 -9.685 2.615 1.00 0.00 O ATOM 640 CG2 THR A 43 -11.331 -7.458 2.798 1.00 0.00 C ATOM 0 H THR A 43 -9.140 -7.474 2.645 1.00 0.00 H new ATOM 0 HA THR A 43 -9.531 -10.337 3.223 1.00 0.00 H new ATOM 0 HB THR A 43 -11.180 -9.043 4.250 1.00 0.00 H new ATOM 0 HG1 THR A 43 -12.230 -9.604 1.638 1.00 0.00 H new ATOM 0 HG21 THR A 43 -12.286 -7.093 3.175 1.00 0.00 H new ATOM 0 HG22 THR A 43 -10.521 -6.880 3.243 1.00 0.00 H new ATOM 0 HG23 THR A 43 -11.303 -7.347 1.714 1.00 0.00 H new ATOM 648 N ALA A 44 -8.822 -9.791 0.444 1.00 0.00 N ATOM 649 CA ALA A 44 -8.796 -10.184 -0.961 1.00 0.00 C ATOM 650 C ALA A 44 -8.189 -11.577 -1.132 1.00 0.00 C ATOM 651 O ALA A 44 -7.515 -12.089 -0.233 1.00 0.00 O ATOM 652 CB ALA A 44 -7.988 -9.172 -1.774 1.00 0.00 C ATOM 0 H ALA A 44 -7.937 -9.429 0.800 1.00 0.00 H new ATOM 0 HA ALA A 44 -9.824 -10.207 -1.323 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -7.975 -9.474 -2.821 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -8.446 -8.187 -1.687 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -6.967 -9.133 -1.395 1.00 0.00 H new ATOM 658 N PRO A 45 -8.412 -12.184 -2.275 1.00 0.00 N ATOM 659 CA PRO A 45 -7.884 -13.539 -2.602 1.00 0.00 C ATOM 660 C PRO A 45 -6.402 -13.500 -2.981 1.00 0.00 C ATOM 661 O PRO A 45 -5.799 -12.428 -3.052 1.00 0.00 O ATOM 662 CB PRO A 45 -8.742 -14.004 -3.795 1.00 0.00 C ATOM 663 CG PRO A 45 -9.718 -12.906 -4.082 1.00 0.00 C ATOM 664 CD PRO A 45 -9.199 -11.651 -3.388 1.00 0.00 C ATOM 0 HA PRO A 45 -7.945 -14.213 -1.748 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -8.117 -14.203 -4.666 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -9.263 -14.932 -3.558 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -9.809 -12.743 -5.156 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -10.710 -13.167 -3.714 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -8.590 -11.044 -4.057 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -10.015 -11.018 -3.038 1.00 0.00 H new ATOM 672 N PRO A 46 -5.811 -14.646 -3.220 1.00 0.00 N ATOM 673 CA PRO A 46 -4.370 -14.757 -3.595 1.00 0.00 C ATOM 674 C PRO A 46 -4.112 -14.383 -5.056 1.00 0.00 C ATOM 675 O PRO A 46 -2.984 -14.490 -5.539 1.00 0.00 O ATOM 676 CB PRO A 46 -4.027 -16.238 -3.351 1.00 0.00 C ATOM 677 CG PRO A 46 -5.279 -16.902 -2.854 1.00 0.00 C ATOM 678 CD PRO A 46 -6.445 -15.965 -3.160 1.00 0.00 C ATOM 0 HA PRO A 46 -3.757 -14.070 -3.012 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -3.679 -16.710 -4.270 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -3.224 -16.333 -2.620 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -5.422 -17.866 -3.343 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -5.212 -17.095 -1.783 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -6.930 -16.221 -4.102 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -7.210 -16.009 -2.385 1.00 0.00 H new ATOM 686 N VAL A 47 -5.158 -13.949 -5.757 1.00 0.00 N ATOM 687 CA VAL A 47 -5.022 -13.570 -7.164 1.00 0.00 C ATOM 688 C VAL A 47 -4.903 -12.054 -7.302 1.00 0.00 C ATOM 689 O VAL A 47 -5.468 -11.305 -6.508 1.00 0.00 O ATOM 690 CB VAL A 47 -6.229 -14.079 -7.965 1.00 0.00 C ATOM 691 CG1 VAL A 47 -7.506 -13.396 -7.471 1.00 0.00 C ATOM 692 CG2 VAL A 47 -6.029 -13.774 -9.455 1.00 0.00 C ATOM 0 H VAL A 47 -6.100 -13.851 -5.379 1.00 0.00 H new ATOM 0 HA VAL A 47 -4.114 -14.026 -7.560 1.00 0.00 H new ATOM 0 HB VAL A 47 -6.319 -15.156 -7.825 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -8.359 -13.761 -8.043 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -7.654 -13.622 -6.415 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -7.416 -12.318 -7.602 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -6.888 -14.137 -10.019 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -5.931 -12.698 -9.596 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -5.126 -14.270 -9.810 1.00 0.00 H new ATOM 702 N ASP A 48 -4.157 -11.612 -8.315 1.00 0.00 N ATOM 703 CA ASP A 48 -3.962 -10.182 -8.545 1.00 0.00 C ATOM 704 C ASP A 48 -5.268 -9.511 -8.960 1.00 0.00 C ATOM 705 O ASP A 48 -5.670 -8.520 -8.371 1.00 0.00 O ATOM 706 CB ASP A 48 -2.907 -9.957 -9.635 1.00 0.00 C ATOM 707 CG ASP A 48 -1.975 -8.802 -9.265 1.00 0.00 C ATOM 708 OD1 ASP A 48 -1.693 -8.637 -8.089 1.00 0.00 O ATOM 709 OD2 ASP A 48 -1.552 -8.102 -10.170 1.00 0.00 O ATOM 0 H ASP A 48 -3.682 -12.218 -8.984 1.00 0.00 H new ATOM 0 HA ASP A 48 -3.621 -9.738 -7.610 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -2.325 -10.868 -9.776 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -3.399 -9.743 -10.584 1.00 0.00 H new ATOM 714 N GLY A 49 -5.928 -10.049 -9.976 1.00 0.00 N ATOM 715 CA GLY A 49 -7.186 -9.468 -10.439 1.00 0.00 C ATOM 716 C GLY A 49 -8.015 -8.945 -9.263 1.00 0.00 C ATOM 717 O GLY A 49 -8.455 -7.794 -9.261 1.00 0.00 O ATOM 0 H GLY A 49 -5.622 -10.875 -10.491 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -6.981 -8.654 -11.134 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -7.757 -10.218 -10.986 1.00 0.00 H new ATOM 721 N GLN A 50 -8.221 -9.805 -8.268 1.00 0.00 N ATOM 722 CA GLN A 50 -9.009 -9.439 -7.090 1.00 0.00 C ATOM 723 C GLN A 50 -8.174 -8.671 -6.057 1.00 0.00 C ATOM 724 O GLN A 50 -8.625 -7.658 -5.523 1.00 0.00 O ATOM 725 CB GLN A 50 -9.589 -10.705 -6.452 1.00 0.00 C ATOM 726 CG GLN A 50 -10.766 -11.221 -7.290 1.00 0.00 C ATOM 727 CD GLN A 50 -10.356 -11.386 -8.753 1.00 0.00 C ATOM 728 OE1 GLN A 50 -9.837 -12.433 -9.141 1.00 0.00 O ATOM 729 NE2 GLN A 50 -10.555 -10.405 -9.591 1.00 0.00 N ATOM 0 H GLN A 50 -7.855 -10.757 -8.252 1.00 0.00 H new ATOM 0 HA GLN A 50 -9.814 -8.780 -7.416 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -8.818 -11.472 -6.381 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -9.921 -10.491 -5.436 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -11.110 -12.176 -6.894 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -11.603 -10.526 -7.218 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -10.985 -9.538 -9.269 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -10.280 -10.505 -10.568 1.00 0.00 H new ATOM 738 N ALA A 51 -6.965 -9.153 -5.773 1.00 0.00 N ATOM 739 CA ALA A 51 -6.096 -8.488 -4.798 1.00 0.00 C ATOM 740 C ALA A 51 -5.667 -7.118 -5.316 1.00 0.00 C ATOM 741 O ALA A 51 -5.929 -6.090 -4.691 1.00 0.00 O ATOM 742 CB ALA A 51 -4.855 -9.343 -4.525 1.00 0.00 C ATOM 0 H ALA A 51 -6.567 -9.991 -6.197 1.00 0.00 H new ATOM 0 HA ALA A 51 -6.655 -8.360 -3.871 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -4.218 -8.838 -3.799 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -5.160 -10.311 -4.128 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -4.303 -9.489 -5.453 1.00 0.00 H new ATOM 748 N ASN A 52 -5.013 -7.124 -6.471 1.00 0.00 N ATOM 749 CA ASN A 52 -4.548 -5.901 -7.110 1.00 0.00 C ATOM 750 C ASN A 52 -5.649 -4.842 -7.128 1.00 0.00 C ATOM 751 O ASN A 52 -5.418 -3.696 -6.737 1.00 0.00 O ATOM 752 CB ASN A 52 -4.110 -6.211 -8.547 1.00 0.00 C ATOM 753 CG ASN A 52 -3.196 -5.107 -9.069 1.00 0.00 C ATOM 754 OD1 ASN A 52 -3.608 -3.949 -9.162 1.00 0.00 O ATOM 755 ND2 ASN A 52 -1.976 -5.396 -9.424 1.00 0.00 N ATOM 0 H ASN A 52 -4.791 -7.974 -6.989 1.00 0.00 H new ATOM 0 HA ASN A 52 -3.705 -5.511 -6.540 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -3.590 -7.168 -8.578 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -4.985 -6.303 -9.190 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -1.361 -4.664 -9.779 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -1.636 -6.355 -9.347 1.00 0.00 H new ATOM 762 N SER A 53 -6.845 -5.226 -7.586 1.00 0.00 N ATOM 763 CA SER A 53 -7.960 -4.285 -7.645 1.00 0.00 C ATOM 764 C SER A 53 -8.222 -3.667 -6.271 1.00 0.00 C ATOM 765 O SER A 53 -8.345 -2.449 -6.148 1.00 0.00 O ATOM 766 CB SER A 53 -9.223 -4.988 -8.143 1.00 0.00 C ATOM 767 OG SER A 53 -9.673 -5.906 -7.157 1.00 0.00 O ATOM 0 H SER A 53 -7.061 -6.167 -7.916 1.00 0.00 H new ATOM 0 HA SER A 53 -7.694 -3.490 -8.342 1.00 0.00 H new ATOM 0 HB2 SER A 53 -10.001 -4.255 -8.355 1.00 0.00 H new ATOM 0 HB3 SER A 53 -9.017 -5.512 -9.076 1.00 0.00 H new ATOM 0 HG SER A 53 -8.929 -6.481 -6.881 1.00 0.00 H new ATOM 773 N HIS A 54 -8.295 -4.516 -5.243 1.00 0.00 N ATOM 774 CA HIS A 54 -8.533 -4.038 -3.880 1.00 0.00 C ATOM 775 C HIS A 54 -7.503 -2.985 -3.503 1.00 0.00 C ATOM 776 O HIS A 54 -7.855 -1.859 -3.189 1.00 0.00 O ATOM 777 CB HIS A 54 -8.429 -5.189 -2.877 1.00 0.00 C ATOM 778 CG HIS A 54 -9.797 -5.671 -2.476 1.00 0.00 C ATOM 779 ND1 HIS A 54 -10.893 -5.602 -3.321 1.00 0.00 N ATOM 780 CD2 HIS A 54 -10.253 -6.245 -1.314 1.00 0.00 C ATOM 781 CE1 HIS A 54 -11.946 -6.123 -2.662 1.00 0.00 C ATOM 782 NE2 HIS A 54 -11.609 -6.530 -1.435 1.00 0.00 N ATOM 0 H HIS A 54 -8.194 -5.527 -5.327 1.00 0.00 H new ATOM 0 HA HIS A 54 -9.536 -3.612 -3.849 1.00 0.00 H new ATOM 0 HB2 HIS A 54 -7.863 -6.010 -3.316 1.00 0.00 H new ATOM 0 HB3 HIS A 54 -7.881 -4.860 -1.994 1.00 0.00 H new ATOM 0 HD2 HIS A 54 -9.651 -6.444 -0.440 1.00 0.00 H new ATOM 0 HE1 HIS A 54 -12.941 -6.202 -3.075 1.00 0.00 H new ATOM 0 HE2 HIS A 54 -12.216 -6.958 -0.736 1.00 0.00 H new ATOM 790 N LEU A 55 -6.228 -3.367 -3.530 1.00 0.00 N ATOM 791 CA LEU A 55 -5.153 -2.443 -3.182 1.00 0.00 C ATOM 792 C LEU A 55 -5.375 -1.090 -3.847 1.00 0.00 C ATOM 793 O LEU A 55 -5.477 -0.063 -3.174 1.00 0.00 O ATOM 794 CB LEU A 55 -3.806 -3.017 -3.632 1.00 0.00 C ATOM 795 CG LEU A 55 -2.808 -3.011 -2.463 1.00 0.00 C ATOM 796 CD1 LEU A 55 -2.851 -1.662 -1.738 1.00 0.00 C ATOM 797 CD2 LEU A 55 -3.162 -4.134 -1.481 1.00 0.00 C ATOM 0 H LEU A 55 -5.916 -4.303 -3.787 1.00 0.00 H new ATOM 0 HA LEU A 55 -5.150 -2.309 -2.100 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -3.941 -4.034 -3.999 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -3.410 -2.429 -4.460 1.00 0.00 H new ATOM 0 HG LEU A 55 -1.803 -3.171 -2.854 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -2.140 -1.670 -0.912 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -2.589 -0.866 -2.435 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -3.855 -1.489 -1.351 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -2.454 -4.129 -0.652 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -4.170 -3.978 -1.098 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -3.114 -5.095 -1.994 1.00 0.00 H new ATOM 809 N VAL A 56 -5.465 -1.110 -5.173 1.00 0.00 N ATOM 810 CA VAL A 56 -5.692 0.102 -5.944 1.00 0.00 C ATOM 811 C VAL A 56 -6.940 0.820 -5.430 1.00 0.00 C ATOM 812 O VAL A 56 -7.020 2.050 -5.461 1.00 0.00 O ATOM 813 CB VAL A 56 -5.856 -0.271 -7.425 1.00 0.00 C ATOM 814 CG1 VAL A 56 -6.846 0.676 -8.114 1.00 0.00 C ATOM 815 CG2 VAL A 56 -4.500 -0.175 -8.128 1.00 0.00 C ATOM 0 H VAL A 56 -5.383 -1.957 -5.736 1.00 0.00 H new ATOM 0 HA VAL A 56 -4.841 0.775 -5.836 1.00 0.00 H new ATOM 0 HB VAL A 56 -6.239 -1.290 -7.486 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -6.948 0.395 -9.162 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -7.817 0.607 -7.623 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -6.477 1.700 -8.047 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -4.616 -0.440 -9.179 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -4.121 0.844 -8.050 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -3.796 -0.861 -7.656 1.00 0.00 H new ATOM 825 N LYS A 57 -7.905 0.036 -4.952 1.00 0.00 N ATOM 826 CA LYS A 57 -9.148 0.589 -4.424 1.00 0.00 C ATOM 827 C LYS A 57 -8.931 1.168 -3.025 1.00 0.00 C ATOM 828 O LYS A 57 -9.040 2.377 -2.828 1.00 0.00 O ATOM 829 CB LYS A 57 -10.221 -0.504 -4.373 1.00 0.00 C ATOM 830 CG LYS A 57 -11.609 0.134 -4.410 1.00 0.00 C ATOM 831 CD LYS A 57 -12.678 -0.962 -4.409 1.00 0.00 C ATOM 832 CE LYS A 57 -14.041 -0.348 -4.080 1.00 0.00 C ATOM 833 NZ LYS A 57 -14.084 0.015 -2.635 1.00 0.00 N ATOM 0 H LYS A 57 -7.849 -0.982 -4.920 1.00 0.00 H new ATOM 0 HA LYS A 57 -9.478 1.392 -5.083 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -10.101 -1.185 -5.216 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -10.107 -1.097 -3.466 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -11.743 0.788 -3.548 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -11.711 0.755 -5.300 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -12.713 -1.451 -5.383 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -12.427 -1.729 -3.676 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -14.212 0.536 -4.694 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -14.837 -1.056 -4.312 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -15.074 0.074 -2.321 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -13.588 -0.711 -2.080 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -13.620 0.935 -2.494 1.00 0.00 H new ATOM 847 N PHE A 58 -8.622 0.295 -2.063 1.00 0.00 N ATOM 848 CA PHE A 58 -8.388 0.717 -0.682 1.00 0.00 C ATOM 849 C PHE A 58 -7.462 1.930 -0.628 1.00 0.00 C ATOM 850 O PHE A 58 -7.814 2.963 -0.057 1.00 0.00 O ATOM 851 CB PHE A 58 -7.763 -0.435 0.108 1.00 0.00 C ATOM 852 CG PHE A 58 -7.964 -0.213 1.592 1.00 0.00 C ATOM 853 CD1 PHE A 58 -9.182 -0.560 2.191 1.00 0.00 C ATOM 854 CD2 PHE A 58 -6.930 0.330 2.372 1.00 0.00 C ATOM 855 CE1 PHE A 58 -9.370 -0.359 3.566 1.00 0.00 C ATOM 856 CE2 PHE A 58 -7.119 0.528 3.745 1.00 0.00 C ATOM 857 CZ PHE A 58 -8.338 0.183 4.343 1.00 0.00 C ATOM 0 H PHE A 58 -8.528 -0.709 -2.216 1.00 0.00 H new ATOM 0 HA PHE A 58 -9.346 0.994 -0.242 1.00 0.00 H new ATOM 0 HB2 PHE A 58 -8.216 -1.380 -0.191 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -6.699 -0.506 -0.117 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -9.976 -0.982 1.594 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -5.989 0.595 1.913 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -10.311 -0.622 4.026 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -6.324 0.947 4.344 1.00 0.00 H new ATOM 0 HZ PHE A 58 -8.482 0.335 5.403 1.00 0.00 H new ATOM 867 N LEU A 59 -6.277 1.792 -1.220 1.00 0.00 N ATOM 868 CA LEU A 59 -5.302 2.875 -1.230 1.00 0.00 C ATOM 869 C LEU A 59 -5.829 4.069 -2.018 1.00 0.00 C ATOM 870 O LEU A 59 -5.943 5.167 -1.482 1.00 0.00 O ATOM 871 CB LEU A 59 -3.986 2.389 -1.847 1.00 0.00 C ATOM 872 CG LEU A 59 -2.806 3.084 -1.157 1.00 0.00 C ATOM 873 CD1 LEU A 59 -2.422 2.316 0.111 1.00 0.00 C ATOM 874 CD2 LEU A 59 -1.609 3.126 -2.110 1.00 0.00 C ATOM 0 H LEU A 59 -5.972 0.943 -1.697 1.00 0.00 H new ATOM 0 HA LEU A 59 -5.126 3.188 -0.201 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -3.899 1.308 -1.738 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -3.973 2.603 -2.916 1.00 0.00 H new ATOM 0 HG LEU A 59 -3.095 4.100 -0.889 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -1.583 2.814 0.598 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -3.273 2.289 0.792 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -2.136 1.298 -0.153 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -0.770 3.620 -1.619 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -1.323 2.109 -2.381 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -1.880 3.678 -3.010 1.00 0.00 H new ATOM 886 N GLY A 60 -6.146 3.848 -3.294 1.00 0.00 N ATOM 887 CA GLY A 60 -6.657 4.918 -4.152 1.00 0.00 C ATOM 888 C GLY A 60 -7.745 5.730 -3.452 1.00 0.00 C ATOM 889 O GLY A 60 -7.917 6.917 -3.727 1.00 0.00 O ATOM 0 H GLY A 60 -6.059 2.942 -3.755 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -5.838 5.578 -4.439 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -7.057 4.489 -5.071 1.00 0.00 H new ATOM 893 N LYS A 61 -8.478 5.080 -2.550 1.00 0.00 N ATOM 894 CA LYS A 61 -9.551 5.747 -1.814 1.00 0.00 C ATOM 895 C LYS A 61 -8.997 6.550 -0.645 1.00 0.00 C ATOM 896 O LYS A 61 -9.132 7.773 -0.596 1.00 0.00 O ATOM 897 CB LYS A 61 -10.539 4.707 -1.277 1.00 0.00 C ATOM 898 CG LYS A 61 -11.893 4.869 -1.968 1.00 0.00 C ATOM 899 CD LYS A 61 -12.715 3.592 -1.773 1.00 0.00 C ATOM 900 CE LYS A 61 -14.111 3.770 -2.376 1.00 0.00 C ATOM 901 NZ LYS A 61 -13.986 4.238 -3.784 1.00 0.00 N ATOM 0 H LYS A 61 -8.350 4.097 -2.312 1.00 0.00 H new ATOM 0 HA LYS A 61 -10.057 6.426 -2.501 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -10.152 3.703 -1.448 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -10.655 4.825 -0.200 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -12.426 5.725 -1.554 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -11.751 5.065 -3.031 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -12.211 2.749 -2.246 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -12.796 3.360 -0.711 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -14.657 2.827 -2.342 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -14.683 4.491 -1.791 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -14.881 4.071 -4.286 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -13.768 5.255 -3.794 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -13.221 3.715 -4.257 1.00 0.00 H new ATOM 915 N GLN A 62 -8.395 5.842 0.307 1.00 0.00 N ATOM 916 CA GLN A 62 -7.845 6.481 1.496 1.00 0.00 C ATOM 917 C GLN A 62 -6.787 7.527 1.122 1.00 0.00 C ATOM 918 O GLN A 62 -6.647 8.544 1.802 1.00 0.00 O ATOM 919 CB GLN A 62 -7.280 5.407 2.441 1.00 0.00 C ATOM 920 CG GLN A 62 -5.795 5.159 2.172 1.00 0.00 C ATOM 921 CD GLN A 62 -4.965 6.007 3.119 1.00 0.00 C ATOM 922 OE1 GLN A 62 -4.104 6.762 2.679 1.00 0.00 O ATOM 923 NE2 GLN A 62 -5.180 5.926 4.405 1.00 0.00 N ATOM 0 H GLN A 62 -8.277 4.829 0.277 1.00 0.00 H new ATOM 0 HA GLN A 62 -8.641 7.013 2.017 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -7.417 5.721 3.476 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -7.835 4.478 2.313 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -5.560 4.104 2.310 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -5.555 5.407 1.138 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -5.898 5.296 4.763 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -4.630 6.493 5.051 1.00 0.00 H new ATOM 932 N PHE A 63 -6.066 7.286 0.028 1.00 0.00 N ATOM 933 CA PHE A 63 -5.052 8.231 -0.444 1.00 0.00 C ATOM 934 C PHE A 63 -5.691 9.248 -1.389 1.00 0.00 C ATOM 935 O PHE A 63 -5.152 10.334 -1.611 1.00 0.00 O ATOM 936 CB PHE A 63 -3.924 7.487 -1.161 1.00 0.00 C ATOM 937 CG PHE A 63 -2.683 7.496 -0.299 1.00 0.00 C ATOM 938 CD1 PHE A 63 -1.764 8.547 -0.405 1.00 0.00 C ATOM 939 CD2 PHE A 63 -2.457 6.456 0.610 1.00 0.00 C ATOM 940 CE1 PHE A 63 -0.618 8.556 0.399 1.00 0.00 C ATOM 941 CE2 PHE A 63 -1.312 6.465 1.414 1.00 0.00 C ATOM 942 CZ PHE A 63 -0.392 7.516 1.309 1.00 0.00 C ATOM 0 H PHE A 63 -6.163 6.449 -0.547 1.00 0.00 H new ATOM 0 HA PHE A 63 -4.633 8.755 0.415 1.00 0.00 H new ATOM 0 HB2 PHE A 63 -4.227 6.461 -1.370 1.00 0.00 H new ATOM 0 HB3 PHE A 63 -3.716 7.959 -2.121 1.00 0.00 H new ATOM 0 HD1 PHE A 63 -1.939 9.350 -1.106 1.00 0.00 H new ATOM 0 HD2 PHE A 63 -3.167 5.646 0.691 1.00 0.00 H new ATOM 0 HE1 PHE A 63 0.092 9.366 0.317 1.00 0.00 H new ATOM 0 HE2 PHE A 63 -1.138 5.662 2.115 1.00 0.00 H new ATOM 0 HZ PHE A 63 0.492 7.524 1.930 1.00 0.00 H new ATOM 952 N ARG A 64 -6.859 8.887 -1.924 1.00 0.00 N ATOM 953 CA ARG A 64 -7.604 9.763 -2.829 1.00 0.00 C ATOM 954 C ARG A 64 -6.889 9.980 -4.163 1.00 0.00 C ATOM 955 O ARG A 64 -7.385 10.723 -5.010 1.00 0.00 O ATOM 956 CB ARG A 64 -7.837 11.115 -2.157 1.00 0.00 C ATOM 957 CG ARG A 64 -9.297 11.542 -2.339 1.00 0.00 C ATOM 958 CD ARG A 64 -9.487 12.964 -1.802 1.00 0.00 C ATOM 959 NE ARG A 64 -10.795 13.094 -1.166 1.00 0.00 N ATOM 960 CZ ARG A 64 -11.754 13.840 -1.705 1.00 0.00 C ATOM 961 NH1 ARG A 64 -12.102 13.656 -2.948 1.00 0.00 N ATOM 962 NH2 ARG A 64 -12.346 14.759 -0.990 1.00 0.00 N ATOM 0 H ARG A 64 -7.310 7.990 -1.745 1.00 0.00 H new ATOM 0 HA ARG A 64 -8.552 9.270 -3.043 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -7.598 11.050 -1.096 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -7.173 11.865 -2.588 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -9.570 11.501 -3.394 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -9.957 10.852 -1.812 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -8.701 13.197 -1.084 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -9.398 13.683 -2.617 1.00 0.00 H new ATOM 0 HE ARG A 64 -10.976 12.603 -0.291 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -11.638 12.940 -3.507 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -12.838 14.228 -3.362 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -12.072 14.904 -0.018 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -13.082 15.332 -1.404 1.00 0.00 H new ATOM 976 N VAL A 65 -5.736 9.338 -4.360 1.00 0.00 N ATOM 977 CA VAL A 65 -5.008 9.499 -5.623 1.00 0.00 C ATOM 978 C VAL A 65 -5.792 8.852 -6.766 1.00 0.00 C ATOM 979 O VAL A 65 -7.008 9.013 -6.866 1.00 0.00 O ATOM 980 CB VAL A 65 -3.597 8.889 -5.536 1.00 0.00 C ATOM 981 CG1 VAL A 65 -2.680 9.568 -6.562 1.00 0.00 C ATOM 982 CG2 VAL A 65 -3.006 9.110 -4.139 1.00 0.00 C ATOM 0 H VAL A 65 -5.294 8.717 -3.682 1.00 0.00 H new ATOM 0 HA VAL A 65 -4.902 10.566 -5.819 1.00 0.00 H new ATOM 0 HB VAL A 65 -3.670 7.820 -5.738 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -1.681 9.136 -6.500 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -3.080 9.415 -7.564 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -2.627 10.636 -6.352 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -2.008 8.673 -4.093 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -2.944 10.179 -3.935 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -3.645 8.635 -3.394 1.00 0.00 H new ATOM 992 N ALA A 66 -5.091 8.134 -7.633 1.00 0.00 N ATOM 993 CA ALA A 66 -5.733 7.484 -8.772 1.00 0.00 C ATOM 994 C ALA A 66 -5.152 6.095 -9.017 1.00 0.00 C ATOM 995 O ALA A 66 -4.107 5.741 -8.470 1.00 0.00 O ATOM 996 CB ALA A 66 -5.537 8.344 -10.015 1.00 0.00 C ATOM 0 H ALA A 66 -4.084 7.986 -7.572 1.00 0.00 H new ATOM 0 HA ALA A 66 -6.795 7.373 -8.553 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -6.014 7.863 -10.869 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -5.985 9.325 -9.853 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -4.471 8.460 -10.213 1.00 0.00 H new ATOM 1002 N LYS A 67 -5.833 5.322 -9.864 1.00 0.00 N ATOM 1003 CA LYS A 67 -5.375 3.977 -10.206 1.00 0.00 C ATOM 1004 C LYS A 67 -4.170 4.075 -11.128 1.00 0.00 C ATOM 1005 O LYS A 67 -3.333 3.174 -11.183 1.00 0.00 O ATOM 1006 CB LYS A 67 -6.495 3.189 -10.897 1.00 0.00 C ATOM 1007 CG LYS A 67 -7.043 3.988 -12.086 1.00 0.00 C ATOM 1008 CD LYS A 67 -8.049 3.133 -12.865 1.00 0.00 C ATOM 1009 CE LYS A 67 -7.317 2.341 -13.952 1.00 0.00 C ATOM 1010 NZ LYS A 67 -8.313 1.730 -14.880 1.00 0.00 N ATOM 0 H LYS A 67 -6.699 5.603 -10.323 1.00 0.00 H new ATOM 0 HA LYS A 67 -5.096 3.454 -9.292 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -6.116 2.226 -11.239 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -7.296 2.982 -10.187 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -7.524 4.900 -11.733 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -6.226 4.291 -12.740 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -8.563 2.451 -12.188 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -8.811 3.769 -13.315 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -6.645 2.997 -14.504 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -6.702 1.564 -13.498 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -7.815 1.192 -15.618 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -8.937 1.091 -14.347 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -8.881 2.480 -15.322 1.00 0.00 H new ATOM 1024 N SER A 68 -4.096 5.193 -11.841 1.00 0.00 N ATOM 1025 CA SER A 68 -2.998 5.444 -12.763 1.00 0.00 C ATOM 1026 C SER A 68 -1.772 5.926 -11.994 1.00 0.00 C ATOM 1027 O SER A 68 -0.646 5.847 -12.486 1.00 0.00 O ATOM 1028 CB SER A 68 -3.421 6.503 -13.781 1.00 0.00 C ATOM 1029 OG SER A 68 -2.265 7.082 -14.379 1.00 0.00 O ATOM 0 H SER A 68 -4.787 5.942 -11.797 1.00 0.00 H new ATOM 0 HA SER A 68 -2.747 4.520 -13.284 1.00 0.00 H new ATOM 0 HB2 SER A 68 -4.052 6.053 -14.547 1.00 0.00 H new ATOM 0 HB3 SER A 68 -4.015 7.275 -13.292 1.00 0.00 H new ATOM 0 HG SER A 68 -1.946 7.823 -13.823 1.00 0.00 H new ATOM 1035 N GLN A 69 -2.007 6.423 -10.781 1.00 0.00 N ATOM 1036 CA GLN A 69 -0.926 6.916 -9.934 1.00 0.00 C ATOM 1037 C GLN A 69 -0.481 5.830 -8.960 1.00 0.00 C ATOM 1038 O GLN A 69 0.548 5.967 -8.306 1.00 0.00 O ATOM 1039 CB GLN A 69 -1.399 8.133 -9.127 1.00 0.00 C ATOM 1040 CG GLN A 69 -1.584 9.376 -10.018 1.00 0.00 C ATOM 1041 CD GLN A 69 -1.355 9.057 -11.492 1.00 0.00 C ATOM 1042 OE1 GLN A 69 -2.297 8.724 -12.208 1.00 0.00 O ATOM 1043 NE2 GLN A 69 -0.154 9.152 -11.990 1.00 0.00 N ATOM 0 H GLN A 69 -2.935 6.494 -10.364 1.00 0.00 H new ATOM 0 HA GLN A 69 -0.092 7.199 -10.577 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -2.341 7.897 -8.633 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -0.674 8.353 -8.343 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -2.591 9.772 -9.884 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -0.890 10.155 -9.703 1.00 0.00 H new ATOM 0 HE21 GLN A 69 0.625 9.429 -11.393 1.00 0.00 H new ATOM 0 HE22 GLN A 69 0.006 8.950 -12.977 1.00 0.00 H new ATOM 1052 N VAL A 70 -1.269 4.758 -8.869 1.00 0.00 N ATOM 1053 CA VAL A 70 -0.961 3.649 -7.973 1.00 0.00 C ATOM 1054 C VAL A 70 -0.336 2.498 -8.754 1.00 0.00 C ATOM 1055 O VAL A 70 -1.038 1.715 -9.399 1.00 0.00 O ATOM 1056 CB VAL A 70 -2.243 3.174 -7.272 1.00 0.00 C ATOM 1057 CG1 VAL A 70 -1.968 1.871 -6.515 1.00 0.00 C ATOM 1058 CG2 VAL A 70 -2.707 4.247 -6.281 1.00 0.00 C ATOM 0 H VAL A 70 -2.127 4.637 -9.407 1.00 0.00 H new ATOM 0 HA VAL A 70 -0.248 3.989 -7.222 1.00 0.00 H new ATOM 0 HB VAL A 70 -3.018 3.001 -8.018 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -2.880 1.538 -6.020 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -1.636 1.106 -7.217 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -1.191 2.040 -5.769 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -3.617 3.913 -5.782 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -1.928 4.418 -5.538 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -2.907 5.175 -6.817 1.00 0.00 H new ATOM 1068 N VAL A 71 0.988 2.413 -8.696 1.00 0.00 N ATOM 1069 CA VAL A 71 1.717 1.361 -9.406 1.00 0.00 C ATOM 1070 C VAL A 71 2.378 0.388 -8.428 1.00 0.00 C ATOM 1071 O VAL A 71 3.267 0.762 -7.662 1.00 0.00 O ATOM 1072 CB VAL A 71 2.790 1.984 -10.307 1.00 0.00 C ATOM 1073 CG1 VAL A 71 3.333 0.920 -11.271 1.00 0.00 C ATOM 1074 CG2 VAL A 71 2.181 3.138 -11.112 1.00 0.00 C ATOM 0 H VAL A 71 1.579 3.055 -8.168 1.00 0.00 H new ATOM 0 HA VAL A 71 1.000 0.808 -10.013 1.00 0.00 H new ATOM 0 HB VAL A 71 3.603 2.363 -9.688 1.00 0.00 H new ATOM 0 HG11 VAL A 71 4.096 1.364 -11.911 1.00 0.00 H new ATOM 0 HG12 VAL A 71 3.770 0.101 -10.700 1.00 0.00 H new ATOM 0 HG13 VAL A 71 2.519 0.538 -11.888 1.00 0.00 H new ATOM 0 HG21 VAL A 71 2.946 3.579 -11.751 1.00 0.00 H new ATOM 0 HG22 VAL A 71 1.365 2.761 -11.729 1.00 0.00 H new ATOM 0 HG23 VAL A 71 1.798 3.896 -10.429 1.00 0.00 H new ATOM 1084 N ILE A 72 1.937 -0.869 -8.477 1.00 0.00 N ATOM 1085 CA ILE A 72 2.477 -1.922 -7.617 1.00 0.00 C ATOM 1086 C ILE A 72 3.685 -2.575 -8.280 1.00 0.00 C ATOM 1087 O ILE A 72 3.556 -3.585 -8.974 1.00 0.00 O ATOM 1088 CB ILE A 72 1.395 -2.974 -7.357 1.00 0.00 C ATOM 1089 CG1 ILE A 72 0.158 -2.287 -6.762 1.00 0.00 C ATOM 1090 CG2 ILE A 72 1.921 -4.022 -6.374 1.00 0.00 C ATOM 1091 CD1 ILE A 72 -1.011 -3.277 -6.715 1.00 0.00 C ATOM 0 H ILE A 72 1.201 -1.184 -9.109 1.00 0.00 H new ATOM 0 HA ILE A 72 2.792 -1.483 -6.670 1.00 0.00 H new ATOM 0 HB ILE A 72 1.129 -3.464 -8.294 1.00 0.00 H new ATOM 0 HG12 ILE A 72 0.380 -1.923 -5.759 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -0.112 -1.419 -7.363 1.00 0.00 H new ATOM 0 HG21 ILE A 72 1.149 -4.769 -6.191 1.00 0.00 H new ATOM 0 HG22 ILE A 72 2.802 -4.506 -6.795 1.00 0.00 H new ATOM 0 HG23 ILE A 72 2.188 -3.538 -5.434 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -1.887 -2.786 -6.292 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -1.239 -3.619 -7.725 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -0.740 -4.131 -6.095 1.00 0.00 H new ATOM 1103 N GLU A 73 4.859 -1.993 -8.059 1.00 0.00 N ATOM 1104 CA GLU A 73 6.091 -2.528 -8.633 1.00 0.00 C ATOM 1105 C GLU A 73 6.541 -3.767 -7.855 1.00 0.00 C ATOM 1106 O GLU A 73 7.681 -4.216 -7.986 1.00 0.00 O ATOM 1107 CB GLU A 73 7.185 -1.455 -8.599 1.00 0.00 C ATOM 1108 CG GLU A 73 7.038 -0.534 -9.817 1.00 0.00 C ATOM 1109 CD GLU A 73 8.158 0.510 -9.850 1.00 0.00 C ATOM 1110 OE1 GLU A 73 8.892 0.608 -8.878 1.00 0.00 O ATOM 1111 OE2 GLU A 73 8.264 1.200 -10.851 1.00 0.00 O ATOM 0 H GLU A 73 4.985 -1.156 -7.490 1.00 0.00 H new ATOM 0 HA GLU A 73 5.907 -2.816 -9.668 1.00 0.00 H new ATOM 0 HB2 GLU A 73 7.111 -0.874 -7.680 1.00 0.00 H new ATOM 0 HB3 GLU A 73 8.169 -1.924 -8.601 1.00 0.00 H new ATOM 0 HG2 GLU A 73 7.061 -1.127 -10.731 1.00 0.00 H new ATOM 0 HG3 GLU A 73 6.070 -0.034 -9.785 1.00 0.00 H new ATOM 1118 N LYS A 74 5.627 -4.312 -7.051 1.00 0.00 N ATOM 1119 CA LYS A 74 5.900 -5.494 -6.246 1.00 0.00 C ATOM 1120 C LYS A 74 4.703 -5.768 -5.345 1.00 0.00 C ATOM 1121 O LYS A 74 4.118 -4.846 -4.781 1.00 0.00 O ATOM 1122 CB LYS A 74 7.156 -5.294 -5.390 1.00 0.00 C ATOM 1123 CG LYS A 74 8.142 -6.435 -5.657 1.00 0.00 C ATOM 1124 CD LYS A 74 9.488 -6.117 -4.999 1.00 0.00 C ATOM 1125 CE LYS A 74 10.555 -7.081 -5.523 1.00 0.00 C ATOM 1126 NZ LYS A 74 11.745 -7.046 -4.627 1.00 0.00 N ATOM 0 H LYS A 74 4.681 -3.945 -6.943 1.00 0.00 H new ATOM 0 HA LYS A 74 6.071 -6.342 -6.910 1.00 0.00 H new ATOM 0 HB2 LYS A 74 7.620 -4.336 -5.624 1.00 0.00 H new ATOM 0 HB3 LYS A 74 6.889 -5.269 -4.333 1.00 0.00 H new ATOM 0 HG2 LYS A 74 7.746 -7.371 -5.263 1.00 0.00 H new ATOM 0 HG3 LYS A 74 8.274 -6.571 -6.730 1.00 0.00 H new ATOM 0 HD2 LYS A 74 9.776 -5.088 -5.214 1.00 0.00 H new ATOM 0 HD3 LYS A 74 9.405 -6.205 -3.916 1.00 0.00 H new ATOM 0 HE2 LYS A 74 10.153 -8.093 -5.571 1.00 0.00 H new ATOM 0 HE3 LYS A 74 10.843 -6.804 -6.537 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 12.469 -7.702 -4.985 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 12.133 -6.081 -4.603 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 11.465 -7.330 -3.667 1.00 0.00 H new ATOM 1140 N GLY A 75 4.332 -7.033 -5.230 1.00 0.00 N ATOM 1141 CA GLY A 75 3.186 -7.417 -4.413 1.00 0.00 C ATOM 1142 C GLY A 75 2.238 -8.285 -5.221 1.00 0.00 C ATOM 1143 O GLY A 75 1.358 -8.941 -4.662 1.00 0.00 O ATOM 0 H GLY A 75 4.804 -7.811 -5.690 1.00 0.00 H new ATOM 0 HA2 GLY A 75 3.524 -7.959 -3.530 1.00 0.00 H new ATOM 0 HA3 GLY A 75 2.666 -6.526 -4.061 1.00 0.00 H new ATOM 1147 N GLU A 76 2.434 -8.277 -6.540 1.00 0.00 N ATOM 1148 CA GLU A 76 1.602 -9.065 -7.453 1.00 0.00 C ATOM 1149 C GLU A 76 1.099 -10.344 -6.782 1.00 0.00 C ATOM 1150 O GLU A 76 -0.108 -10.573 -6.695 1.00 0.00 O ATOM 1151 CB GLU A 76 2.407 -9.432 -8.705 1.00 0.00 C ATOM 1152 CG GLU A 76 1.464 -9.535 -9.911 1.00 0.00 C ATOM 1153 CD GLU A 76 2.232 -9.962 -11.165 1.00 0.00 C ATOM 1154 OE1 GLU A 76 3.356 -10.424 -11.030 1.00 0.00 O ATOM 1155 OE2 GLU A 76 1.681 -9.821 -12.245 1.00 0.00 O ATOM 0 H GLU A 76 3.163 -7.733 -7.002 1.00 0.00 H new ATOM 0 HA GLU A 76 0.740 -8.458 -7.730 1.00 0.00 H new ATOM 0 HB2 GLU A 76 3.172 -8.678 -8.892 1.00 0.00 H new ATOM 0 HB3 GLU A 76 2.924 -10.380 -8.553 1.00 0.00 H new ATOM 0 HG2 GLU A 76 0.673 -10.255 -9.700 1.00 0.00 H new ATOM 0 HG3 GLU A 76 0.981 -8.573 -10.084 1.00 0.00 H new ATOM 1162 N LEU A 77 2.032 -11.172 -6.311 1.00 0.00 N ATOM 1163 CA LEU A 77 1.670 -12.425 -5.652 1.00 0.00 C ATOM 1164 C LEU A 77 2.458 -12.605 -4.356 1.00 0.00 C ATOM 1165 O LEU A 77 1.952 -13.174 -3.388 1.00 0.00 O ATOM 1166 CB LEU A 77 1.940 -13.603 -6.593 1.00 0.00 C ATOM 1167 CG LEU A 77 0.818 -13.690 -7.635 1.00 0.00 C ATOM 1168 CD1 LEU A 77 1.353 -14.339 -8.915 1.00 0.00 C ATOM 1169 CD2 LEU A 77 -0.338 -14.529 -7.079 1.00 0.00 C ATOM 0 H LEU A 77 3.035 -10.999 -6.373 1.00 0.00 H new ATOM 0 HA LEU A 77 0.608 -12.392 -5.407 1.00 0.00 H new ATOM 0 HB2 LEU A 77 2.902 -13.474 -7.088 1.00 0.00 H new ATOM 0 HB3 LEU A 77 1.996 -14.531 -6.025 1.00 0.00 H new ATOM 0 HG LEU A 77 0.459 -12.686 -7.862 1.00 0.00 H new ATOM 0 HD11 LEU A 77 0.554 -14.400 -9.654 1.00 0.00 H new ATOM 0 HD12 LEU A 77 2.171 -13.738 -9.313 1.00 0.00 H new ATOM 0 HD13 LEU A 77 1.716 -15.342 -8.690 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -1.134 -14.589 -7.821 1.00 0.00 H new ATOM 0 HD22 LEU A 77 0.019 -15.533 -6.848 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -0.723 -14.063 -6.172 1.00 0.00 H new ATOM 1181 N GLY A 78 3.699 -12.117 -4.344 1.00 0.00 N ATOM 1182 CA GLY A 78 4.544 -12.232 -3.157 1.00 0.00 C ATOM 1183 C GLY A 78 3.999 -11.378 -2.016 1.00 0.00 C ATOM 1184 O GLY A 78 3.449 -10.300 -2.247 1.00 0.00 O ATOM 0 H GLY A 78 4.137 -11.643 -5.134 1.00 0.00 H new ATOM 0 HA2 GLY A 78 4.597 -13.274 -2.843 1.00 0.00 H new ATOM 0 HA3 GLY A 78 5.560 -11.919 -3.397 1.00 0.00 H new ATOM 1188 N ARG A 79 4.159 -11.864 -0.785 1.00 0.00 N ATOM 1189 CA ARG A 79 3.682 -11.133 0.387 1.00 0.00 C ATOM 1190 C ARG A 79 4.333 -9.759 0.443 1.00 0.00 C ATOM 1191 O ARG A 79 3.702 -8.785 0.850 1.00 0.00 O ATOM 1192 CB ARG A 79 3.992 -11.920 1.662 1.00 0.00 C ATOM 1193 CG ARG A 79 3.215 -13.241 1.637 1.00 0.00 C ATOM 1194 CD ARG A 79 3.755 -14.184 2.714 1.00 0.00 C ATOM 1195 NE ARG A 79 3.090 -13.928 3.987 1.00 0.00 N ATOM 1196 CZ ARG A 79 2.824 -14.917 4.836 1.00 0.00 C ATOM 1197 NH1 ARG A 79 1.833 -15.732 4.599 1.00 0.00 N ATOM 1198 NH2 ARG A 79 3.556 -15.074 5.903 1.00 0.00 N ATOM 0 H ARG A 79 4.612 -12.754 -0.575 1.00 0.00 H new ATOM 0 HA ARG A 79 2.602 -11.007 0.310 1.00 0.00 H new ATOM 0 HB2 ARG A 79 5.062 -12.114 1.733 1.00 0.00 H new ATOM 0 HB3 ARG A 79 3.715 -11.337 2.540 1.00 0.00 H new ATOM 0 HG2 ARG A 79 2.155 -13.052 1.805 1.00 0.00 H new ATOM 0 HG3 ARG A 79 3.304 -13.707 0.656 1.00 0.00 H new ATOM 0 HD2 ARG A 79 3.596 -15.220 2.414 1.00 0.00 H new ATOM 0 HD3 ARG A 79 4.831 -14.046 2.823 1.00 0.00 H new ATOM 0 HE ARG A 79 2.824 -12.974 4.230 1.00 0.00 H new ATOM 0 HH11 ARG A 79 1.262 -15.611 3.763 1.00 0.00 H new ATOM 0 HH12 ARG A 79 1.629 -16.490 5.250 1.00 0.00 H new ATOM 0 HH21 ARG A 79 4.332 -14.439 6.087 1.00 0.00 H new ATOM 0 HH22 ARG A 79 3.352 -15.832 6.554 1.00 0.00 H new ATOM 1212 N HIS A 80 5.582 -9.674 -0.014 1.00 0.00 N ATOM 1213 CA HIS A 80 6.268 -8.389 -0.052 1.00 0.00 C ATOM 1214 C HIS A 80 5.581 -7.549 -1.114 1.00 0.00 C ATOM 1215 O HIS A 80 5.199 -8.074 -2.159 1.00 0.00 O ATOM 1216 CB HIS A 80 7.749 -8.575 -0.398 1.00 0.00 C ATOM 1217 CG HIS A 80 8.517 -8.932 0.848 1.00 0.00 C ATOM 1218 ND1 HIS A 80 8.175 -8.430 2.095 1.00 0.00 N ATOM 1219 CD2 HIS A 80 9.607 -9.739 1.055 1.00 0.00 C ATOM 1220 CE1 HIS A 80 9.044 -8.935 2.988 1.00 0.00 C ATOM 1221 NE2 HIS A 80 9.938 -9.739 2.407 1.00 0.00 N ATOM 0 H HIS A 80 6.128 -10.464 -0.356 1.00 0.00 H new ATOM 0 HA HIS A 80 6.221 -7.902 0.922 1.00 0.00 H new ATOM 0 HB2 HIS A 80 7.863 -9.360 -1.145 1.00 0.00 H new ATOM 0 HB3 HIS A 80 8.149 -7.660 -0.834 1.00 0.00 H new ATOM 0 HD2 HIS A 80 10.129 -10.290 0.286 1.00 0.00 H new ATOM 0 HE1 HIS A 80 9.022 -8.717 4.046 1.00 0.00 H new ATOM 0 HE2 HIS A 80 10.700 -10.245 2.858 1.00 0.00 H new ATOM 1229 N LYS A 81 5.374 -6.268 -0.841 1.00 0.00 N ATOM 1230 CA LYS A 81 4.669 -5.430 -1.791 1.00 0.00 C ATOM 1231 C LYS A 81 5.233 -4.022 -1.767 1.00 0.00 C ATOM 1232 O LYS A 81 5.753 -3.578 -0.748 1.00 0.00 O ATOM 1233 CB LYS A 81 3.178 -5.464 -1.417 1.00 0.00 C ATOM 1234 CG LYS A 81 2.477 -4.136 -1.686 1.00 0.00 C ATOM 1235 CD LYS A 81 1.008 -4.289 -1.275 1.00 0.00 C ATOM 1236 CE LYS A 81 0.212 -4.919 -2.421 1.00 0.00 C ATOM 1237 NZ LYS A 81 0.314 -4.060 -3.634 1.00 0.00 N ATOM 0 H LYS A 81 5.678 -5.798 0.012 1.00 0.00 H new ATOM 0 HA LYS A 81 4.793 -5.796 -2.810 1.00 0.00 H new ATOM 0 HB2 LYS A 81 2.683 -6.253 -1.983 1.00 0.00 H new ATOM 0 HB3 LYS A 81 3.077 -5.717 -0.362 1.00 0.00 H new ATOM 0 HG2 LYS A 81 2.950 -3.333 -1.121 1.00 0.00 H new ATOM 0 HG3 LYS A 81 2.553 -3.871 -2.741 1.00 0.00 H new ATOM 0 HD2 LYS A 81 0.933 -4.911 -0.383 1.00 0.00 H new ATOM 0 HD3 LYS A 81 0.589 -3.316 -1.021 1.00 0.00 H new ATOM 0 HE2 LYS A 81 0.594 -5.917 -2.637 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -0.833 -5.034 -2.131 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -0.634 -3.914 -4.037 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 0.725 -3.140 -3.375 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 0.922 -4.525 -4.338 1.00 0.00 H new ATOM 1251 N GLN A 82 5.129 -3.332 -2.896 1.00 0.00 N ATOM 1252 CA GLN A 82 5.634 -1.981 -2.998 1.00 0.00 C ATOM 1253 C GLN A 82 4.764 -1.208 -3.969 1.00 0.00 C ATOM 1254 O GLN A 82 4.572 -1.626 -5.112 1.00 0.00 O ATOM 1255 CB GLN A 82 7.088 -1.994 -3.473 1.00 0.00 C ATOM 1256 CG GLN A 82 7.615 -0.562 -3.513 1.00 0.00 C ATOM 1257 CD GLN A 82 9.140 -0.561 -3.603 1.00 0.00 C ATOM 1258 OE1 GLN A 82 9.818 -0.097 -2.686 1.00 0.00 O ATOM 1259 NE2 GLN A 82 9.724 -1.052 -4.663 1.00 0.00 N ATOM 0 H GLN A 82 4.699 -3.690 -3.749 1.00 0.00 H new ATOM 0 HA GLN A 82 5.604 -1.500 -2.020 1.00 0.00 H new ATOM 0 HB2 GLN A 82 7.697 -2.600 -2.802 1.00 0.00 H new ATOM 0 HB3 GLN A 82 7.156 -2.447 -4.462 1.00 0.00 H new ATOM 0 HG2 GLN A 82 7.193 -0.036 -4.369 1.00 0.00 H new ATOM 0 HG3 GLN A 82 7.296 -0.025 -2.620 1.00 0.00 H new ATOM 0 HE21 GLN A 82 9.162 -1.436 -5.423 1.00 0.00 H new ATOM 0 HE22 GLN A 82 10.742 -1.051 -4.731 1.00 0.00 H new ATOM 1268 N ILE A 83 4.214 -0.101 -3.498 1.00 0.00 N ATOM 1269 CA ILE A 83 3.334 0.705 -4.324 1.00 0.00 C ATOM 1270 C ILE A 83 3.886 2.111 -4.478 1.00 0.00 C ATOM 1271 O ILE A 83 4.468 2.668 -3.548 1.00 0.00 O ATOM 1272 CB ILE A 83 1.943 0.740 -3.689 1.00 0.00 C ATOM 1273 CG1 ILE A 83 1.596 -0.668 -3.183 1.00 0.00 C ATOM 1274 CG2 ILE A 83 0.912 1.185 -4.729 1.00 0.00 C ATOM 1275 CD1 ILE A 83 0.243 -0.661 -2.473 1.00 0.00 C ATOM 0 H ILE A 83 4.361 0.257 -2.554 1.00 0.00 H new ATOM 0 HA ILE A 83 3.266 0.262 -5.318 1.00 0.00 H new ATOM 0 HB ILE A 83 1.932 1.445 -2.858 1.00 0.00 H new ATOM 0 HG12 ILE A 83 1.571 -1.366 -4.020 1.00 0.00 H new ATOM 0 HG13 ILE A 83 2.370 -1.017 -2.500 1.00 0.00 H new ATOM 0 HG21 ILE A 83 -0.078 1.209 -4.273 1.00 0.00 H new ATOM 0 HG22 ILE A 83 1.168 2.180 -5.092 1.00 0.00 H new ATOM 0 HG23 ILE A 83 0.910 0.483 -5.563 1.00 0.00 H new ATOM 0 HD11 ILE A 83 0.012 -1.666 -2.121 1.00 0.00 H new ATOM 0 HD12 ILE A 83 0.281 0.021 -1.624 1.00 0.00 H new ATOM 0 HD13 ILE A 83 -0.531 -0.333 -3.167 1.00 0.00 H new ATOM 1287 N LYS A 84 3.704 2.671 -5.666 1.00 0.00 N ATOM 1288 CA LYS A 84 4.192 4.013 -5.960 1.00 0.00 C ATOM 1289 C LYS A 84 3.021 4.958 -6.199 1.00 0.00 C ATOM 1290 O LYS A 84 2.368 4.890 -7.236 1.00 0.00 O ATOM 1291 CB LYS A 84 5.093 3.973 -7.202 1.00 0.00 C ATOM 1292 CG LYS A 84 6.173 5.060 -7.105 1.00 0.00 C ATOM 1293 CD LYS A 84 5.604 6.405 -7.575 1.00 0.00 C ATOM 1294 CE LYS A 84 5.328 7.306 -6.367 1.00 0.00 C ATOM 1295 NZ LYS A 84 6.618 7.821 -5.825 1.00 0.00 N ATOM 0 H LYS A 84 3.222 2.218 -6.442 1.00 0.00 H new ATOM 0 HA LYS A 84 4.767 4.377 -5.108 1.00 0.00 H new ATOM 0 HB2 LYS A 84 5.560 2.992 -7.291 1.00 0.00 H new ATOM 0 HB3 LYS A 84 4.494 4.123 -8.100 1.00 0.00 H new ATOM 0 HG2 LYS A 84 6.526 5.144 -6.077 1.00 0.00 H new ATOM 0 HG3 LYS A 84 7.033 4.786 -7.716 1.00 0.00 H new ATOM 0 HD2 LYS A 84 6.309 6.892 -8.249 1.00 0.00 H new ATOM 0 HD3 LYS A 84 4.684 6.244 -8.137 1.00 0.00 H new ATOM 0 HE2 LYS A 84 4.686 8.137 -6.659 1.00 0.00 H new ATOM 0 HE3 LYS A 84 4.795 6.747 -5.597 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 6.666 7.631 -4.804 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 7.410 7.346 -6.303 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 6.679 8.846 -5.989 1.00 0.00 H new ATOM 1309 N ILE A 85 2.763 5.835 -5.227 1.00 0.00 N ATOM 1310 CA ILE A 85 1.666 6.794 -5.334 1.00 0.00 C ATOM 1311 C ILE A 85 2.158 8.095 -5.956 1.00 0.00 C ATOM 1312 O ILE A 85 2.782 8.920 -5.288 1.00 0.00 O ATOM 1313 CB ILE A 85 1.070 7.081 -3.946 1.00 0.00 C ATOM 1314 CG1 ILE A 85 0.176 5.911 -3.517 1.00 0.00 C ATOM 1315 CG2 ILE A 85 0.226 8.363 -3.995 1.00 0.00 C ATOM 1316 CD1 ILE A 85 1.027 4.825 -2.848 1.00 0.00 C ATOM 0 H ILE A 85 3.297 5.900 -4.361 1.00 0.00 H new ATOM 0 HA ILE A 85 0.895 6.362 -5.972 1.00 0.00 H new ATOM 0 HB ILE A 85 1.883 7.206 -3.231 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -0.591 6.262 -2.826 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -0.340 5.499 -4.384 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -0.193 8.560 -3.008 1.00 0.00 H new ATOM 0 HG22 ILE A 85 0.854 9.201 -4.297 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -0.583 8.239 -4.715 1.00 0.00 H new ATOM 0 HD11 ILE A 85 0.387 3.996 -2.545 1.00 0.00 H new ATOM 0 HD12 ILE A 85 1.777 4.466 -3.552 1.00 0.00 H new ATOM 0 HD13 ILE A 85 1.522 5.240 -1.970 1.00 0.00 H new ATOM 1328 N ILE A 86 1.870 8.274 -7.239 1.00 0.00 N ATOM 1329 CA ILE A 86 2.282 9.482 -7.942 1.00 0.00 C ATOM 1330 C ILE A 86 1.306 10.615 -7.649 1.00 0.00 C ATOM 1331 O ILE A 86 0.102 10.389 -7.530 1.00 0.00 O ATOM 1332 CB ILE A 86 2.323 9.221 -9.450 1.00 0.00 C ATOM 1333 CG1 ILE A 86 3.225 8.015 -9.738 1.00 0.00 C ATOM 1334 CG2 ILE A 86 2.873 10.457 -10.171 1.00 0.00 C ATOM 1335 CD1 ILE A 86 3.108 7.622 -11.213 1.00 0.00 C ATOM 0 H ILE A 86 1.356 7.603 -7.811 1.00 0.00 H new ATOM 0 HA ILE A 86 3.276 9.766 -7.598 1.00 0.00 H new ATOM 0 HB ILE A 86 1.315 9.013 -9.808 1.00 0.00 H new ATOM 0 HG12 ILE A 86 4.260 8.258 -9.498 1.00 0.00 H new ATOM 0 HG13 ILE A 86 2.939 7.175 -9.104 1.00 0.00 H new ATOM 0 HG21 ILE A 86 2.902 10.269 -11.244 1.00 0.00 H new ATOM 0 HG22 ILE A 86 2.229 11.313 -9.969 1.00 0.00 H new ATOM 0 HG23 ILE A 86 3.880 10.669 -9.813 1.00 0.00 H new ATOM 0 HD11 ILE A 86 3.751 6.765 -11.413 1.00 0.00 H new ATOM 0 HD12 ILE A 86 2.074 7.361 -11.439 1.00 0.00 H new ATOM 0 HD13 ILE A 86 3.416 8.460 -11.838 1.00 0.00 H new ATOM 1347 N ASN A 87 1.828 11.834 -7.538 1.00 0.00 N ATOM 1348 CA ASN A 87 0.988 12.998 -7.266 1.00 0.00 C ATOM 1349 C ASN A 87 0.017 12.711 -6.114 1.00 0.00 C ATOM 1350 O ASN A 87 -1.169 12.464 -6.336 1.00 0.00 O ATOM 1351 CB ASN A 87 0.203 13.370 -8.531 1.00 0.00 C ATOM 1352 CG ASN A 87 -0.437 14.747 -8.372 1.00 0.00 C ATOM 1353 OD1 ASN A 87 -0.332 15.368 -7.313 1.00 0.00 O ATOM 1354 ND2 ASN A 87 -1.098 15.265 -9.370 1.00 0.00 N ATOM 0 H ASN A 87 2.822 12.041 -7.631 1.00 0.00 H new ATOM 0 HA ASN A 87 1.628 13.831 -6.975 1.00 0.00 H new ATOM 0 HB2 ASN A 87 0.869 13.368 -9.394 1.00 0.00 H new ATOM 0 HB3 ASN A 87 -0.568 12.623 -8.722 1.00 0.00 H new ATOM 0 HD21 ASN A 87 -1.528 16.185 -9.274 1.00 0.00 H new ATOM 0 HD22 ASN A 87 -1.184 14.750 -10.246 1.00 0.00 H new ATOM 1361 N PRO A 88 0.500 12.740 -4.894 1.00 0.00 N ATOM 1362 CA PRO A 88 -0.335 12.476 -3.686 1.00 0.00 C ATOM 1363 C PRO A 88 -1.261 13.646 -3.364 1.00 0.00 C ATOM 1364 O PRO A 88 -0.899 14.808 -3.558 1.00 0.00 O ATOM 1365 CB PRO A 88 0.683 12.251 -2.555 1.00 0.00 C ATOM 1366 CG PRO A 88 2.049 12.390 -3.158 1.00 0.00 C ATOM 1367 CD PRO A 88 1.889 13.031 -4.535 1.00 0.00 C ATOM 0 HA PRO A 88 -0.995 11.621 -3.833 1.00 0.00 H new ATOM 0 HB2 PRO A 88 0.539 12.979 -1.756 1.00 0.00 H new ATOM 0 HB3 PRO A 88 0.556 11.263 -2.113 1.00 0.00 H new ATOM 0 HG2 PRO A 88 2.686 13.005 -2.522 1.00 0.00 H new ATOM 0 HG3 PRO A 88 2.530 11.415 -3.244 1.00 0.00 H new ATOM 0 HD2 PRO A 88 2.078 14.104 -4.502 1.00 0.00 H new ATOM 0 HD3 PRO A 88 2.587 12.607 -5.257 1.00 0.00 H new ATOM 1375 N GLN A 89 -2.458 13.327 -2.874 1.00 0.00 N ATOM 1376 CA GLN A 89 -3.438 14.352 -2.529 1.00 0.00 C ATOM 1377 C GLN A 89 -3.571 14.481 -1.016 1.00 0.00 C ATOM 1378 O GLN A 89 -3.682 15.589 -0.492 1.00 0.00 O ATOM 1379 CB GLN A 89 -4.802 14.003 -3.133 1.00 0.00 C ATOM 1380 CG GLN A 89 -4.629 13.630 -4.609 1.00 0.00 C ATOM 1381 CD GLN A 89 -5.886 13.995 -5.391 1.00 0.00 C ATOM 1382 OE1 GLN A 89 -6.547 13.120 -5.951 1.00 0.00 O ATOM 1383 NE2 GLN A 89 -6.263 15.244 -5.465 1.00 0.00 N ATOM 0 H GLN A 89 -2.770 12.370 -2.708 1.00 0.00 H new ATOM 0 HA GLN A 89 -3.094 15.303 -2.936 1.00 0.00 H new ATOM 0 HB2 GLN A 89 -5.251 13.173 -2.588 1.00 0.00 H new ATOM 0 HB3 GLN A 89 -5.481 14.851 -3.039 1.00 0.00 H new ATOM 0 HG2 GLN A 89 -3.767 14.152 -5.026 1.00 0.00 H new ATOM 0 HG3 GLN A 89 -4.431 12.562 -4.702 1.00 0.00 H new ATOM 0 HE21 GLN A 89 -5.717 15.970 -5.002 1.00 0.00 H new ATOM 0 HE22 GLN A 89 -7.104 15.493 -5.986 1.00 0.00 H new ATOM 1392 N GLN A 90 -3.548 13.347 -0.314 1.00 0.00 N ATOM 1393 CA GLN A 90 -3.657 13.360 1.136 1.00 0.00 C ATOM 1394 C GLN A 90 -2.853 12.212 1.728 1.00 0.00 C ATOM 1395 O GLN A 90 -3.036 11.051 1.356 1.00 0.00 O ATOM 1396 CB GLN A 90 -5.127 13.275 1.569 1.00 0.00 C ATOM 1397 CG GLN A 90 -5.672 11.857 1.356 1.00 0.00 C ATOM 1398 CD GLN A 90 -7.198 11.881 1.296 1.00 0.00 C ATOM 1399 OE1 GLN A 90 -7.808 12.952 1.299 1.00 0.00 O ATOM 1400 NE2 GLN A 90 -7.857 10.757 1.241 1.00 0.00 N ATOM 0 H GLN A 90 -3.456 12.419 -0.726 1.00 0.00 H new ATOM 0 HA GLN A 90 -3.250 14.300 1.510 1.00 0.00 H new ATOM 0 HB2 GLN A 90 -5.219 13.552 2.619 1.00 0.00 H new ATOM 0 HB3 GLN A 90 -5.722 13.988 0.998 1.00 0.00 H new ATOM 0 HG2 GLN A 90 -5.271 11.441 0.432 1.00 0.00 H new ATOM 0 HG3 GLN A 90 -5.343 11.208 2.167 1.00 0.00 H new ATOM 0 HE21 GLN A 90 -7.353 9.870 1.238 1.00 0.00 H new ATOM 0 HE22 GLN A 90 -8.876 10.765 1.201 1.00 0.00 H new ATOM 1409 N ILE A 91 -1.957 12.552 2.642 1.00 0.00 N ATOM 1410 CA ILE A 91 -1.113 11.553 3.284 1.00 0.00 C ATOM 1411 C ILE A 91 -1.562 11.326 4.729 1.00 0.00 C ATOM 1412 O ILE A 91 -1.452 12.219 5.572 1.00 0.00 O ATOM 1413 CB ILE A 91 0.355 11.997 3.246 1.00 0.00 C ATOM 1414 CG1 ILE A 91 1.230 10.898 3.863 1.00 0.00 C ATOM 1415 CG2 ILE A 91 0.536 13.305 4.029 1.00 0.00 C ATOM 1416 CD1 ILE A 91 2.566 10.828 3.120 1.00 0.00 C ATOM 0 H ILE A 91 -1.795 13.509 2.956 1.00 0.00 H new ATOM 0 HA ILE A 91 -1.209 10.613 2.740 1.00 0.00 H new ATOM 0 HB ILE A 91 0.652 12.167 2.211 1.00 0.00 H new ATOM 0 HG12 ILE A 91 1.400 11.105 4.920 1.00 0.00 H new ATOM 0 HG13 ILE A 91 0.719 9.937 3.805 1.00 0.00 H new ATOM 0 HG21 ILE A 91 1.582 13.608 3.994 1.00 0.00 H new ATOM 0 HG22 ILE A 91 -0.083 14.084 3.584 1.00 0.00 H new ATOM 0 HG23 ILE A 91 0.237 13.153 5.066 1.00 0.00 H new ATOM 0 HD11 ILE A 91 3.186 10.047 3.560 1.00 0.00 H new ATOM 0 HD12 ILE A 91 2.386 10.601 2.069 1.00 0.00 H new ATOM 0 HD13 ILE A 91 3.078 11.787 3.201 1.00 0.00 H new ATOM 1428 N PRO A 92 -2.076 10.156 5.021 1.00 0.00 N ATOM 1429 CA PRO A 92 -2.564 9.810 6.384 1.00 0.00 C ATOM 1430 C PRO A 92 -1.427 9.652 7.393 1.00 0.00 C ATOM 1431 O PRO A 92 -0.297 9.327 7.028 1.00 0.00 O ATOM 1432 CB PRO A 92 -3.322 8.486 6.209 1.00 0.00 C ATOM 1433 CG PRO A 92 -3.252 8.125 4.762 1.00 0.00 C ATOM 1434 CD PRO A 92 -2.243 9.044 4.084 1.00 0.00 C ATOM 0 HA PRO A 92 -3.192 10.606 6.785 1.00 0.00 H new ATOM 0 HB2 PRO A 92 -2.876 7.703 6.823 1.00 0.00 H new ATOM 0 HB3 PRO A 92 -4.358 8.591 6.530 1.00 0.00 H new ATOM 0 HG2 PRO A 92 -2.954 7.083 4.645 1.00 0.00 H new ATOM 0 HG3 PRO A 92 -4.232 8.230 4.297 1.00 0.00 H new ATOM 0 HD2 PRO A 92 -1.298 8.532 3.903 1.00 0.00 H new ATOM 0 HD3 PRO A 92 -2.608 9.391 3.117 1.00 0.00 H new ATOM 1442 N PRO A 93 -1.720 9.875 8.652 1.00 0.00 N ATOM 1443 CA PRO A 93 -0.725 9.760 9.756 1.00 0.00 C ATOM 1444 C PRO A 93 0.071 8.463 9.671 1.00 0.00 C ATOM 1445 O PRO A 93 1.227 8.404 10.082 1.00 0.00 O ATOM 1446 CB PRO A 93 -1.561 9.791 11.042 1.00 0.00 C ATOM 1447 CG PRO A 93 -2.999 9.912 10.634 1.00 0.00 C ATOM 1448 CD PRO A 93 -3.039 10.264 9.150 1.00 0.00 C ATOM 0 HA PRO A 93 0.011 10.563 9.711 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -1.402 8.885 11.626 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -1.268 10.631 11.671 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -3.528 8.977 10.818 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -3.499 10.682 11.222 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -3.834 9.725 8.634 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -3.224 11.327 8.998 1.00 0.00 H new ATOM 1456 N GLU A 94 -0.568 7.431 9.134 1.00 0.00 N ATOM 1457 CA GLU A 94 0.069 6.129 8.987 1.00 0.00 C ATOM 1458 C GLU A 94 1.415 6.263 8.285 1.00 0.00 C ATOM 1459 O GLU A 94 2.455 5.892 8.831 1.00 0.00 O ATOM 1460 CB GLU A 94 -0.837 5.210 8.166 1.00 0.00 C ATOM 1461 CG GLU A 94 -0.105 3.898 7.848 1.00 0.00 C ATOM 1462 CD GLU A 94 -1.019 2.944 7.079 1.00 0.00 C ATOM 1463 OE1 GLU A 94 -1.975 3.413 6.479 1.00 0.00 O ATOM 1464 OE2 GLU A 94 -0.747 1.755 7.097 1.00 0.00 O ATOM 0 H GLU A 94 -1.528 7.471 8.793 1.00 0.00 H new ATOM 0 HA GLU A 94 0.231 5.708 9.979 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -1.753 5.000 8.719 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -1.130 5.706 7.241 1.00 0.00 H new ATOM 0 HG2 GLU A 94 0.788 4.107 7.260 1.00 0.00 H new ATOM 0 HG3 GLU A 94 0.226 3.426 8.773 1.00 0.00 H new ATOM 1471 N VAL A 95 1.380 6.795 7.069 1.00 0.00 N ATOM 1472 CA VAL A 95 2.601 6.973 6.289 1.00 0.00 C ATOM 1473 C VAL A 95 3.289 8.273 6.681 1.00 0.00 C ATOM 1474 O VAL A 95 4.501 8.420 6.514 1.00 0.00 O ATOM 1475 CB VAL A 95 2.278 6.993 4.788 1.00 0.00 C ATOM 1476 CG1 VAL A 95 3.439 6.372 4.004 1.00 0.00 C ATOM 1477 CG2 VAL A 95 0.998 6.190 4.519 1.00 0.00 C ATOM 0 H VAL A 95 0.528 7.109 6.604 1.00 0.00 H new ATOM 0 HA VAL A 95 3.268 6.137 6.497 1.00 0.00 H new ATOM 0 HB VAL A 95 2.131 8.025 4.469 1.00 0.00 H new ATOM 0 HG11 VAL A 95 3.208 6.387 2.939 1.00 0.00 H new ATOM 0 HG12 VAL A 95 4.348 6.945 4.186 1.00 0.00 H new ATOM 0 HG13 VAL A 95 3.588 5.342 4.329 1.00 0.00 H new ATOM 0 HG21 VAL A 95 0.774 6.208 3.452 1.00 0.00 H new ATOM 0 HG22 VAL A 95 1.141 5.159 4.842 1.00 0.00 H new ATOM 0 HG23 VAL A 95 0.169 6.632 5.071 1.00 0.00 H new ATOM 1487 N ALA A 96 2.505 9.211 7.204 1.00 0.00 N ATOM 1488 CA ALA A 96 3.044 10.504 7.620 1.00 0.00 C ATOM 1489 C ALA A 96 3.816 10.378 8.934 1.00 0.00 C ATOM 1490 O ALA A 96 4.628 11.239 9.266 1.00 0.00 O ATOM 1491 CB ALA A 96 1.912 11.522 7.782 1.00 0.00 C ATOM 0 H ALA A 96 1.501 9.103 7.350 1.00 0.00 H new ATOM 0 HA ALA A 96 3.730 10.848 6.846 1.00 0.00 H new ATOM 0 HB1 ALA A 96 2.327 12.481 8.092 1.00 0.00 H new ATOM 0 HB2 ALA A 96 1.392 11.642 6.832 1.00 0.00 H new ATOM 0 HB3 ALA A 96 1.210 11.169 8.538 1.00 0.00 H new ATOM 1497 N ALA A 97 3.554 9.309 9.683 1.00 0.00 N ATOM 1498 CA ALA A 97 4.233 9.099 10.961 1.00 0.00 C ATOM 1499 C ALA A 97 5.725 8.845 10.756 1.00 0.00 C ATOM 1500 O ALA A 97 6.534 9.095 11.652 1.00 0.00 O ATOM 1501 CB ALA A 97 3.613 7.909 11.696 1.00 0.00 C ATOM 0 H ALA A 97 2.884 8.582 9.432 1.00 0.00 H new ATOM 0 HA ALA A 97 4.112 10.003 11.557 1.00 0.00 H new ATOM 0 HB1 ALA A 97 4.126 7.761 12.646 1.00 0.00 H new ATOM 0 HB2 ALA A 97 2.557 8.105 11.880 1.00 0.00 H new ATOM 0 HB3 ALA A 97 3.714 7.012 11.086 1.00 0.00 H new ATOM 1507 N LEU A 98 6.081 8.344 9.577 1.00 0.00 N ATOM 1508 CA LEU A 98 7.480 8.052 9.266 1.00 0.00 C ATOM 1509 C LEU A 98 8.070 9.118 8.346 1.00 0.00 C ATOM 1510 O LEU A 98 9.288 9.204 8.186 1.00 0.00 O ATOM 1511 CB LEU A 98 7.586 6.676 8.600 1.00 0.00 C ATOM 1512 CG LEU A 98 7.053 5.599 9.554 1.00 0.00 C ATOM 1513 CD1 LEU A 98 6.652 4.355 8.756 1.00 0.00 C ATOM 1514 CD2 LEU A 98 8.140 5.227 10.568 1.00 0.00 C ATOM 0 H LEU A 98 5.426 8.132 8.824 1.00 0.00 H new ATOM 0 HA LEU A 98 8.046 8.052 10.198 1.00 0.00 H new ATOM 0 HB2 LEU A 98 7.017 6.666 7.670 1.00 0.00 H new ATOM 0 HB3 LEU A 98 8.624 6.465 8.341 1.00 0.00 H new ATOM 0 HG LEU A 98 6.181 5.986 10.082 1.00 0.00 H new ATOM 0 HD11 LEU A 98 6.274 3.592 9.437 1.00 0.00 H new ATOM 0 HD12 LEU A 98 5.875 4.618 8.038 1.00 0.00 H new ATOM 0 HD13 LEU A 98 7.521 3.968 8.224 1.00 0.00 H new ATOM 0 HD21 LEU A 98 7.760 4.462 11.245 1.00 0.00 H new ATOM 0 HD22 LEU A 98 9.013 4.843 10.041 1.00 0.00 H new ATOM 0 HD23 LEU A 98 8.421 6.111 11.141 1.00 0.00 H new ATOM 1526 N ILE A 99 7.201 9.926 7.747 1.00 0.00 N ATOM 1527 CA ILE A 99 7.645 10.986 6.845 1.00 0.00 C ATOM 1528 C ILE A 99 7.565 12.344 7.541 1.00 0.00 C ATOM 1529 O ILE A 99 8.531 13.108 7.545 1.00 0.00 O ATOM 1530 CB ILE A 99 6.778 10.985 5.580 1.00 0.00 C ATOM 1531 CG1 ILE A 99 7.158 9.776 4.712 1.00 0.00 C ATOM 1532 CG2 ILE A 99 7.005 12.277 4.787 1.00 0.00 C ATOM 1533 CD1 ILE A 99 6.025 9.461 3.730 1.00 0.00 C ATOM 0 H ILE A 99 6.190 9.869 7.868 1.00 0.00 H new ATOM 0 HA ILE A 99 8.683 10.803 6.566 1.00 0.00 H new ATOM 0 HB ILE A 99 5.727 10.923 5.862 1.00 0.00 H new ATOM 0 HG12 ILE A 99 8.077 9.985 4.165 1.00 0.00 H new ATOM 0 HG13 ILE A 99 7.353 8.910 5.345 1.00 0.00 H new ATOM 0 HG21 ILE A 99 6.385 12.267 3.890 1.00 0.00 H new ATOM 0 HG22 ILE A 99 6.737 13.135 5.404 1.00 0.00 H new ATOM 0 HG23 ILE A 99 8.055 12.349 4.502 1.00 0.00 H new ATOM 0 HD11 ILE A 99 6.302 8.603 3.118 1.00 0.00 H new ATOM 0 HD12 ILE A 99 5.115 9.232 4.285 1.00 0.00 H new ATOM 0 HD13 ILE A 99 5.850 10.324 3.087 1.00 0.00 H new ATOM 1545 N ASN A 100 6.411 12.631 8.134 1.00 0.00 N ATOM 1546 CA ASN A 100 6.211 13.894 8.841 1.00 0.00 C ATOM 1547 C ASN A 100 6.936 13.878 10.184 1.00 0.00 C ATOM 1548 O ASN A 100 6.870 14.846 10.945 1.00 0.00 O ATOM 1549 CB ASN A 100 4.717 14.128 9.073 1.00 0.00 C ATOM 1550 CG ASN A 100 4.388 15.612 8.925 1.00 0.00 C ATOM 1551 OD1 ASN A 100 4.443 16.362 9.900 1.00 0.00 O ATOM 1552 ND2 ASN A 100 4.048 16.083 7.755 1.00 0.00 N ATOM 0 H ASN A 100 5.602 12.010 8.140 1.00 0.00 H new ATOM 0 HA ASN A 100 6.618 14.700 8.230 1.00 0.00 H new ATOM 0 HB2 ASN A 100 4.135 13.546 8.359 1.00 0.00 H new ATOM 0 HB3 ASN A 100 4.437 13.783 10.069 1.00 0.00 H new ATOM 0 HD21 ASN A 100 3.828 17.073 7.648 1.00 0.00 H new ATOM 0 HD22 ASN A 100 4.003 15.461 6.948 1.00 0.00 H new ATOM 1559 N LEU A 101 7.624 12.771 10.466 1.00 0.00 N ATOM 1560 CA LEU A 101 8.363 12.627 11.721 1.00 0.00 C ATOM 1561 C LEU A 101 9.318 13.806 11.931 1.00 0.00 C ATOM 1562 O LEU A 101 9.838 14.001 13.031 1.00 0.00 O ATOM 1563 CB LEU A 101 9.154 11.310 11.705 1.00 0.00 C ATOM 1564 CG LEU A 101 9.980 11.168 12.992 1.00 0.00 C ATOM 1565 CD1 LEU A 101 9.054 11.198 14.213 1.00 0.00 C ATOM 1566 CD2 LEU A 101 10.742 9.839 12.964 1.00 0.00 C ATOM 0 H LEU A 101 7.685 11.964 9.845 1.00 0.00 H new ATOM 0 HA LEU A 101 7.649 12.615 12.545 1.00 0.00 H new ATOM 0 HB2 LEU A 101 8.469 10.468 11.610 1.00 0.00 H new ATOM 0 HB3 LEU A 101 9.813 11.284 10.837 1.00 0.00 H new ATOM 0 HG LEU A 101 10.686 11.996 13.057 1.00 0.00 H new ATOM 0 HD11 LEU A 101 9.647 11.097 15.122 1.00 0.00 H new ATOM 0 HD12 LEU A 101 8.513 12.144 14.236 1.00 0.00 H new ATOM 0 HD13 LEU A 101 8.343 10.375 14.150 1.00 0.00 H new ATOM 0 HD21 LEU A 101 11.329 9.737 13.877 1.00 0.00 H new ATOM 0 HD22 LEU A 101 10.033 9.014 12.894 1.00 0.00 H new ATOM 0 HD23 LEU A 101 11.407 9.819 12.101 1.00 0.00 H new ATOM 1578 N GLU A 102 9.537 14.593 10.878 1.00 0.00 N ATOM 1579 CA GLU A 102 10.423 15.750 10.967 1.00 0.00 C ATOM 1580 C GLU A 102 9.775 16.856 11.802 1.00 0.00 C ATOM 1581 O GLU A 102 9.674 18.004 11.365 1.00 0.00 O ATOM 1582 CB GLU A 102 10.739 16.273 9.562 1.00 0.00 C ATOM 1583 CG GLU A 102 11.986 17.161 9.609 1.00 0.00 C ATOM 1584 CD GLU A 102 12.308 17.715 8.217 1.00 0.00 C ATOM 1585 OE1 GLU A 102 11.463 17.613 7.340 1.00 0.00 O ATOM 1586 OE2 GLU A 102 13.399 18.238 8.050 1.00 0.00 O ATOM 0 H GLU A 102 9.116 14.451 9.960 1.00 0.00 H new ATOM 0 HA GLU A 102 11.350 15.444 11.453 1.00 0.00 H new ATOM 0 HB2 GLU A 102 10.901 15.438 8.881 1.00 0.00 H new ATOM 0 HB3 GLU A 102 9.892 16.840 9.176 1.00 0.00 H new ATOM 0 HG2 GLU A 102 11.827 17.984 10.306 1.00 0.00 H new ATOM 0 HG3 GLU A 102 12.834 16.587 9.983 1.00 0.00 H new ATOM 1593 N HIS A 103 9.338 16.493 13.006 1.00 0.00 N ATOM 1594 CA HIS A 103 8.697 17.439 13.913 1.00 0.00 C ATOM 1595 C HIS A 103 9.420 17.448 15.259 1.00 0.00 C ATOM 1596 O HIS A 103 9.206 16.569 16.096 1.00 0.00 O ATOM 1597 CB HIS A 103 7.227 17.047 14.111 1.00 0.00 C ATOM 1598 CG HIS A 103 6.361 17.800 13.134 1.00 0.00 C ATOM 1599 ND1 HIS A 103 5.219 18.479 13.529 1.00 0.00 N ATOM 1600 CD2 HIS A 103 6.457 17.987 11.777 1.00 0.00 C ATOM 1601 CE1 HIS A 103 4.678 19.036 12.430 1.00 0.00 C ATOM 1602 NE2 HIS A 103 5.392 18.767 11.335 1.00 0.00 N ATOM 0 H HIS A 103 9.417 15.546 13.376 1.00 0.00 H new ATOM 0 HA HIS A 103 8.748 18.438 13.481 1.00 0.00 H new ATOM 0 HB2 HIS A 103 7.105 15.974 13.967 1.00 0.00 H new ATOM 0 HB3 HIS A 103 6.916 17.269 15.132 1.00 0.00 H new ATOM 0 HD2 HIS A 103 7.240 17.589 11.148 1.00 0.00 H new ATOM 0 HE1 HIS A 103 3.775 19.629 12.434 1.00 0.00 H new ATOM 0 HE2 HIS A 103 5.199 19.068 10.380 1.00 0.00 H new ATOM 1610 N HIS A 104 10.283 18.446 15.455 1.00 0.00 N ATOM 1611 CA HIS A 104 11.045 18.562 16.699 1.00 0.00 C ATOM 1612 C HIS A 104 10.113 18.607 17.907 1.00 0.00 C ATOM 1613 O HIS A 104 10.532 18.312 19.028 1.00 0.00 O ATOM 1614 CB HIS A 104 11.910 19.827 16.681 1.00 0.00 C ATOM 1615 CG HIS A 104 12.808 19.821 15.472 1.00 0.00 C ATOM 1616 ND1 HIS A 104 13.621 20.898 15.155 1.00 0.00 N ATOM 1617 CD2 HIS A 104 13.037 18.880 14.498 1.00 0.00 C ATOM 1618 CE1 HIS A 104 14.294 20.583 14.034 1.00 0.00 C ATOM 1619 NE2 HIS A 104 13.976 19.363 13.591 1.00 0.00 N ATOM 0 H HIS A 104 10.471 19.181 14.773 1.00 0.00 H new ATOM 0 HA HIS A 104 11.686 17.684 16.779 1.00 0.00 H new ATOM 0 HB2 HIS A 104 11.274 20.712 16.667 1.00 0.00 H new ATOM 0 HB3 HIS A 104 12.510 19.880 17.589 1.00 0.00 H new ATOM 0 HD2 HIS A 104 12.561 17.912 14.444 1.00 0.00 H new ATOM 0 HE1 HIS A 104 15.005 21.237 13.551 1.00 0.00 H new ATOM 0 HE2 HIS A 104 14.342 18.888 12.766 1.00 0.00 H new ATOM 1627 N HIS A 105 8.853 18.977 17.673 1.00 0.00 N ATOM 1628 CA HIS A 105 7.869 19.055 18.751 1.00 0.00 C ATOM 1629 C HIS A 105 7.940 17.811 19.634 1.00 0.00 C ATOM 1630 O HIS A 105 7.438 16.746 19.269 1.00 0.00 O ATOM 1631 CB HIS A 105 6.458 19.192 18.166 1.00 0.00 C ATOM 1632 CG HIS A 105 6.266 20.576 17.604 1.00 0.00 C ATOM 1633 ND1 HIS A 105 7.148 21.613 17.865 1.00 0.00 N ATOM 1634 CD2 HIS A 105 5.295 21.106 16.790 1.00 0.00 C ATOM 1635 CE1 HIS A 105 6.694 22.703 17.220 1.00 0.00 C ATOM 1636 NE2 HIS A 105 5.567 22.449 16.549 1.00 0.00 N ATOM 0 H HIS A 105 8.492 19.226 16.752 1.00 0.00 H new ATOM 0 HA HIS A 105 8.094 19.931 19.359 1.00 0.00 H new ATOM 0 HB2 HIS A 105 6.306 18.448 17.384 1.00 0.00 H new ATOM 0 HB3 HIS A 105 5.714 18.998 18.939 1.00 0.00 H new ATOM 0 HD2 HIS A 105 4.449 20.563 16.397 1.00 0.00 H new ATOM 0 HE1 HIS A 105 7.182 23.666 17.242 1.00 0.00 H new ATOM 0 HE2 HIS A 105 5.023 23.100 15.982 1.00 0.00 H new ATOM 1644 N HIS A 106 8.577 17.957 20.794 1.00 0.00 N ATOM 1645 CA HIS A 106 8.725 16.845 21.730 1.00 0.00 C ATOM 1646 C HIS A 106 7.397 16.524 22.414 1.00 0.00 C ATOM 1647 O HIS A 106 7.345 15.692 23.320 1.00 0.00 O ATOM 1648 CB HIS A 106 9.779 17.194 22.789 1.00 0.00 C ATOM 1649 CG HIS A 106 9.215 18.201 23.758 1.00 0.00 C ATOM 1650 ND1 HIS A 106 8.378 19.229 23.353 1.00 0.00 N ATOM 1651 CD2 HIS A 106 9.351 18.342 25.117 1.00 0.00 C ATOM 1652 CE1 HIS A 106 8.045 19.937 24.448 1.00 0.00 C ATOM 1653 NE2 HIS A 106 8.610 19.439 25.550 1.00 0.00 N ATOM 0 H HIS A 106 8.998 18.832 21.108 1.00 0.00 H new ATOM 0 HA HIS A 106 9.045 15.967 21.169 1.00 0.00 H new ATOM 0 HB2 HIS A 106 10.084 16.294 23.322 1.00 0.00 H new ATOM 0 HB3 HIS A 106 10.671 17.597 22.309 1.00 0.00 H new ATOM 0 HD2 HIS A 106 9.942 17.700 25.753 1.00 0.00 H new ATOM 0 HE1 HIS A 106 7.399 20.803 24.436 1.00 0.00 H new ATOM 0 HE2 HIS A 106 8.519 19.787 26.504 1.00 0.00 H new ATOM 1661 N HIS A 107 6.331 17.193 21.973 1.00 0.00 N ATOM 1662 CA HIS A 107 5.004 16.980 22.544 1.00 0.00 C ATOM 1663 C HIS A 107 4.685 15.487 22.621 1.00 0.00 C ATOM 1664 O HIS A 107 4.331 14.867 21.618 1.00 0.00 O ATOM 1665 CB HIS A 107 3.954 17.692 21.684 1.00 0.00 C ATOM 1666 CG HIS A 107 2.700 17.912 22.487 1.00 0.00 C ATOM 1667 ND1 HIS A 107 2.018 16.870 23.095 1.00 0.00 N ATOM 1668 CD2 HIS A 107 1.994 19.049 22.788 1.00 0.00 C ATOM 1669 CE1 HIS A 107 0.952 17.397 23.725 1.00 0.00 C ATOM 1670 NE2 HIS A 107 0.890 18.722 23.570 1.00 0.00 N ATOM 0 H HIS A 107 6.362 17.885 21.224 1.00 0.00 H new ATOM 0 HA HIS A 107 4.987 17.390 23.554 1.00 0.00 H new ATOM 0 HB2 HIS A 107 4.345 18.647 21.334 1.00 0.00 H new ATOM 0 HB3 HIS A 107 3.730 17.096 20.799 1.00 0.00 H new ATOM 0 HD2 HIS A 107 2.255 20.047 22.467 1.00 0.00 H new ATOM 0 HE1 HIS A 107 0.234 16.819 24.288 1.00 0.00 H new ATOM 0 HE2 HIS A 107 0.185 19.358 23.944 1.00 0.00 H new ATOM 1678 N HIS A 108 4.817 14.920 23.820 1.00 0.00 N ATOM 1679 CA HIS A 108 4.545 13.498 24.025 1.00 0.00 C ATOM 1680 C HIS A 108 3.142 13.141 23.542 1.00 0.00 C ATOM 1681 CB HIS A 108 4.675 13.147 25.511 1.00 0.00 C ATOM 1682 CG HIS A 108 6.132 13.064 25.889 1.00 0.00 C ATOM 1683 ND1 HIS A 108 6.642 13.709 27.006 1.00 0.00 N ATOM 1684 CD2 HIS A 108 7.195 12.413 25.314 1.00 0.00 C ATOM 1685 CE1 HIS A 108 7.957 13.433 27.067 1.00 0.00 C ATOM 1686 NE2 HIS A 108 8.347 12.648 26.061 1.00 0.00 N ATOM 0 H HIS A 108 5.109 15.420 24.660 1.00 0.00 H new ATOM 0 HA HIS A 108 5.273 12.926 23.449 1.00 0.00 H new ATOM 0 HB2 HIS A 108 4.175 13.902 26.118 1.00 0.00 H new ATOM 0 HB3 HIS A 108 4.182 12.196 25.714 1.00 0.00 H new ATOM 0 HD2 HIS A 108 7.146 11.811 24.419 1.00 0.00 H new ATOM 0 HE1 HIS A 108 8.618 13.802 27.837 1.00 0.00 H new ATOM 0 HE2 HIS A 108 9.287 12.296 25.878 1.00 0.00 H new TER 1694 HIS A 108