USER MOD reduce.3.24.130724 H: found=0, std=0, add=726, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 722 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 18 LYS NZ :NH3+ 176:sc= 0.725 (180deg=-0.506) USER MOD Set 1.2: A 24 HIS : no HD1:sc= 1.06 K(o=1.8,f=-5.6) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0.0111 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 MET CE :methyl 172:sc= -0.153 (180deg=-0.381) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0119) USER MOD Single : A 42 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 TYR OH : rot 180:sc= -0.0245 USER MOD Single : A 51 THR OG1 : rot 44:sc= 1.25 USER MOD Single : A 52 HIS : no HD1:sc= -0.0623 X(o=-0.062,f=0) USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.01) USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 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 75 SER OG : rot 180:sc= 0.0029 USER MOD Single : A 76 ASN : amide:sc= 0.367 K(o=0.37,f=-4.4!) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 90 ASN : amide:sc= 0.713 K(o=0.71,f=0) USER MOD Single : A 91 SER OG : rot 156:sc= 0.45 USER MOD Single : A 94 SER OG : rot -86:sc= 1.2 USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -14.471 -2.360 -18.560 1.00 0.00 N ATOM 2 CA GLY A 1 -13.826 -1.398 -19.466 1.00 0.00 C ATOM 3 C GLY A 1 -12.667 -0.740 -18.755 1.00 0.00 C ATOM 4 O GLY A 1 -11.671 -1.418 -18.498 1.00 0.00 O ATOM 0 H1 GLY A 1 -15.269 -2.814 -19.047 1.00 0.00 H new ATOM 0 H2 GLY A 1 -13.782 -3.085 -18.275 1.00 0.00 H new ATOM 0 H3 GLY A 1 -14.819 -1.862 -17.716 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -13.475 -1.906 -20.364 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -14.546 -0.645 -19.787 1.00 0.00 H new ATOM 8 N SER A 2 -12.790 0.540 -18.387 1.00 0.00 N ATOM 9 CA SER A 2 -11.829 1.182 -17.494 1.00 0.00 C ATOM 10 C SER A 2 -11.759 0.362 -16.202 1.00 0.00 C ATOM 11 O SER A 2 -12.805 -0.012 -15.662 1.00 0.00 O ATOM 12 CB SER A 2 -12.257 2.633 -17.206 1.00 0.00 C ATOM 13 OG SER A 2 -11.263 3.551 -17.623 1.00 0.00 O ATOM 0 H SER A 2 -13.547 1.149 -18.696 1.00 0.00 H new ATOM 0 HA SER A 2 -10.843 1.218 -17.958 1.00 0.00 H new ATOM 0 HB2 SER A 2 -13.193 2.848 -17.721 1.00 0.00 H new ATOM 0 HB3 SER A 2 -12.444 2.755 -16.139 1.00 0.00 H new ATOM 0 HG SER A 2 -11.560 4.465 -17.430 1.00 0.00 H new ATOM 19 N SER A 3 -10.550 0.074 -15.723 1.00 0.00 N ATOM 20 CA SER A 3 -10.345 -0.549 -14.423 1.00 0.00 C ATOM 21 C SER A 3 -10.780 0.411 -13.309 1.00 0.00 C ATOM 22 O SER A 3 -10.817 1.628 -13.531 1.00 0.00 O ATOM 23 CB SER A 3 -8.865 -0.955 -14.297 1.00 0.00 C ATOM 24 OG SER A 3 -7.972 0.088 -14.674 1.00 0.00 O ATOM 0 H SER A 3 -9.686 0.268 -16.229 1.00 0.00 H new ATOM 0 HA SER A 3 -10.955 -1.447 -14.327 1.00 0.00 H new ATOM 0 HB2 SER A 3 -8.660 -1.248 -13.267 1.00 0.00 H new ATOM 0 HB3 SER A 3 -8.679 -1.829 -14.920 1.00 0.00 H new ATOM 0 HG SER A 3 -7.047 -0.221 -14.574 1.00 0.00 H new ATOM 30 N GLY A 4 -11.017 -0.104 -12.102 1.00 0.00 N ATOM 31 CA GLY A 4 -11.231 0.685 -10.895 1.00 0.00 C ATOM 32 C GLY A 4 -12.126 -0.055 -9.902 1.00 0.00 C ATOM 33 O GLY A 4 -12.845 -0.981 -10.279 1.00 0.00 O ATOM 0 H GLY A 4 -11.066 -1.109 -11.936 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -10.272 0.907 -10.428 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -11.687 1.640 -11.158 1.00 0.00 H new ATOM 37 N SER A 5 -12.113 0.395 -8.647 1.00 0.00 N ATOM 38 CA SER A 5 -12.772 -0.210 -7.494 1.00 0.00 C ATOM 39 C SER A 5 -12.206 -1.599 -7.171 1.00 0.00 C ATOM 40 O SER A 5 -11.473 -1.700 -6.188 1.00 0.00 O ATOM 41 CB SER A 5 -14.301 -0.118 -7.601 1.00 0.00 C ATOM 42 OG SER A 5 -14.681 1.244 -7.770 1.00 0.00 O ATOM 0 H SER A 5 -11.610 1.246 -8.395 1.00 0.00 H new ATOM 0 HA SER A 5 -12.533 0.378 -6.608 1.00 0.00 H new ATOM 0 HB2 SER A 5 -14.654 -0.713 -8.443 1.00 0.00 H new ATOM 0 HB3 SER A 5 -14.765 -0.528 -6.704 1.00 0.00 H new ATOM 0 HG SER A 5 -15.657 1.305 -7.840 1.00 0.00 H new ATOM 48 N SER A 6 -12.453 -2.633 -7.974 1.00 0.00 N ATOM 49 CA SER A 6 -11.874 -3.961 -7.782 1.00 0.00 C ATOM 50 C SER A 6 -11.383 -4.502 -9.124 1.00 0.00 C ATOM 51 O SER A 6 -11.858 -4.087 -10.189 1.00 0.00 O ATOM 52 CB SER A 6 -12.915 -4.904 -7.164 1.00 0.00 C ATOM 53 OG SER A 6 -13.272 -4.504 -5.851 1.00 0.00 O ATOM 0 H SER A 6 -13.068 -2.571 -8.785 1.00 0.00 H new ATOM 0 HA SER A 6 -11.027 -3.894 -7.099 1.00 0.00 H new ATOM 0 HB2 SER A 6 -13.805 -4.925 -7.793 1.00 0.00 H new ATOM 0 HB3 SER A 6 -12.518 -5.919 -7.140 1.00 0.00 H new ATOM 0 HG SER A 6 -13.937 -5.126 -5.489 1.00 0.00 H new ATOM 59 N GLY A 7 -10.451 -5.453 -9.080 1.00 0.00 N ATOM 60 CA GLY A 7 -9.912 -6.119 -10.239 1.00 0.00 C ATOM 61 C GLY A 7 -8.690 -6.945 -9.884 1.00 0.00 C ATOM 62 O GLY A 7 -8.214 -6.953 -8.749 1.00 0.00 O ATOM 0 H GLY A 7 -10.045 -5.783 -8.204 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -10.674 -6.763 -10.677 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -9.646 -5.380 -10.995 1.00 0.00 H new ATOM 66 N GLU A 8 -8.185 -7.644 -10.888 1.00 0.00 N ATOM 67 CA GLU A 8 -6.851 -8.212 -10.880 1.00 0.00 C ATOM 68 C GLU A 8 -5.857 -7.063 -11.031 1.00 0.00 C ATOM 69 O GLU A 8 -5.708 -6.528 -12.131 1.00 0.00 O ATOM 70 CB GLU A 8 -6.679 -9.233 -12.011 1.00 0.00 C ATOM 71 CG GLU A 8 -7.423 -10.548 -11.744 1.00 0.00 C ATOM 72 CD GLU A 8 -7.183 -11.523 -12.901 1.00 0.00 C ATOM 73 OE1 GLU A 8 -6.017 -11.939 -13.122 1.00 0.00 O ATOM 74 OE2 GLU A 8 -8.151 -11.867 -13.609 1.00 0.00 O ATOM 0 H GLU A 8 -8.702 -7.835 -11.746 1.00 0.00 H new ATOM 0 HA GLU A 8 -6.677 -8.744 -9.944 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -7.040 -8.799 -12.944 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -5.618 -9.442 -12.147 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -7.079 -10.988 -10.808 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -8.490 -10.357 -11.633 1.00 0.00 H new ATOM 81 N TYR A 9 -5.230 -6.678 -9.920 1.00 0.00 N ATOM 82 CA TYR A 9 -4.135 -5.718 -9.870 1.00 0.00 C ATOM 83 C TYR A 9 -2.986 -6.168 -10.789 1.00 0.00 C ATOM 84 O TYR A 9 -2.773 -7.370 -10.957 1.00 0.00 O ATOM 85 CB TYR A 9 -3.632 -5.639 -8.419 1.00 0.00 C ATOM 86 CG TYR A 9 -4.690 -5.438 -7.344 1.00 0.00 C ATOM 87 CD1 TYR A 9 -5.121 -4.139 -7.040 1.00 0.00 C ATOM 88 CD2 TYR A 9 -5.215 -6.530 -6.625 1.00 0.00 C ATOM 89 CE1 TYR A 9 -6.026 -3.904 -5.988 1.00 0.00 C ATOM 90 CE2 TYR A 9 -6.168 -6.311 -5.610 1.00 0.00 C ATOM 91 CZ TYR A 9 -6.572 -4.996 -5.280 1.00 0.00 C ATOM 92 OH TYR A 9 -7.469 -4.776 -4.280 1.00 0.00 O ATOM 0 H TYR A 9 -5.481 -7.040 -9.000 1.00 0.00 H new ATOM 0 HA TYR A 9 -4.484 -4.742 -10.208 1.00 0.00 H new ATOM 0 HB2 TYR A 9 -3.089 -6.557 -8.196 1.00 0.00 H new ATOM 0 HB3 TYR A 9 -2.916 -4.820 -8.350 1.00 0.00 H new ATOM 0 HD1 TYR A 9 -4.753 -3.307 -7.622 1.00 0.00 H new ATOM 0 HD2 TYR A 9 -4.887 -7.534 -6.851 1.00 0.00 H new ATOM 0 HE1 TYR A 9 -6.301 -2.894 -5.724 1.00 0.00 H new ATOM 0 HE2 TYR A 9 -6.592 -7.152 -5.081 1.00 0.00 H new ATOM 0 HH TYR A 9 -7.748 -5.633 -3.896 1.00 0.00 H new ATOM 102 N LYS A 10 -2.192 -5.236 -11.332 1.00 0.00 N ATOM 103 CA LYS A 10 -1.015 -5.536 -12.159 1.00 0.00 C ATOM 104 C LYS A 10 0.137 -4.609 -11.785 1.00 0.00 C ATOM 105 O LYS A 10 -0.058 -3.692 -10.982 1.00 0.00 O ATOM 106 CB LYS A 10 -1.362 -5.447 -13.656 1.00 0.00 C ATOM 107 CG LYS A 10 -2.475 -6.446 -13.999 1.00 0.00 C ATOM 108 CD LYS A 10 -2.613 -6.700 -15.499 1.00 0.00 C ATOM 109 CE LYS A 10 -3.702 -7.766 -15.681 1.00 0.00 C ATOM 110 NZ LYS A 10 -4.011 -8.002 -17.104 1.00 0.00 N ATOM 0 H LYS A 10 -2.352 -4.236 -11.207 1.00 0.00 H new ATOM 0 HA LYS A 10 -0.696 -6.560 -11.965 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -1.682 -4.435 -13.904 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -0.476 -5.657 -14.256 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -2.275 -7.391 -13.494 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -3.423 -6.072 -13.612 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -2.882 -5.782 -16.021 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -1.667 -7.041 -15.920 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -3.377 -8.699 -15.221 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -4.607 -7.453 -15.160 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -4.751 -8.729 -17.183 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -4.346 -7.118 -17.538 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -3.154 -8.326 -17.596 1.00 0.00 H new ATOM 124 N ALA A 11 1.335 -4.889 -12.314 1.00 0.00 N ATOM 125 CA ALA A 11 2.548 -4.169 -11.951 1.00 0.00 C ATOM 126 C ALA A 11 2.382 -2.674 -12.205 1.00 0.00 C ATOM 127 O ALA A 11 1.683 -2.258 -13.131 1.00 0.00 O ATOM 128 CB ALA A 11 3.752 -4.709 -12.727 1.00 0.00 C ATOM 0 H ALA A 11 1.484 -5.623 -13.006 1.00 0.00 H new ATOM 0 HA ALA A 11 2.727 -4.322 -10.887 1.00 0.00 H new ATOM 0 HB1 ALA A 11 4.647 -4.157 -12.440 1.00 0.00 H new ATOM 0 HB2 ALA A 11 3.888 -5.766 -12.498 1.00 0.00 H new ATOM 0 HB3 ALA A 11 3.579 -4.589 -13.797 1.00 0.00 H new ATOM 134 N GLY A 12 3.067 -1.866 -11.401 1.00 0.00 N ATOM 135 CA GLY A 12 3.051 -0.421 -11.547 1.00 0.00 C ATOM 136 C GLY A 12 1.877 0.238 -10.826 1.00 0.00 C ATOM 137 O GLY A 12 1.803 1.473 -10.832 1.00 0.00 O ATOM 0 H GLY A 12 3.648 -2.198 -10.631 1.00 0.00 H new ATOM 0 HA2 GLY A 12 3.984 -0.012 -11.160 1.00 0.00 H new ATOM 0 HA3 GLY A 12 3.008 -0.169 -12.607 1.00 0.00 H new ATOM 141 N ASP A 13 0.992 -0.535 -10.185 1.00 0.00 N ATOM 142 CA ASP A 13 -0.028 -0.016 -9.272 1.00 0.00 C ATOM 143 C ASP A 13 0.426 -0.232 -7.822 1.00 0.00 C ATOM 144 O ASP A 13 1.472 -0.842 -7.570 1.00 0.00 O ATOM 145 CB ASP A 13 -1.406 -0.646 -9.536 1.00 0.00 C ATOM 146 CG ASP A 13 -2.036 -0.222 -10.867 1.00 0.00 C ATOM 147 OD1 ASP A 13 -1.937 0.980 -11.218 1.00 0.00 O ATOM 148 OD2 ASP A 13 -2.759 -1.045 -11.474 1.00 0.00 O ATOM 0 H ASP A 13 0.966 -1.549 -10.288 1.00 0.00 H new ATOM 0 HA ASP A 13 -0.142 1.054 -9.449 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -1.308 -1.731 -9.521 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -2.080 -0.376 -8.723 1.00 0.00 H new ATOM 153 N LEU A 14 -0.322 0.298 -6.849 1.00 0.00 N ATOM 154 CA LEU A 14 0.046 0.321 -5.431 1.00 0.00 C ATOM 155 C LEU A 14 -1.119 -0.171 -4.587 1.00 0.00 C ATOM 156 O LEU A 14 -2.282 0.054 -4.944 1.00 0.00 O ATOM 157 CB LEU A 14 0.431 1.749 -4.999 1.00 0.00 C ATOM 158 CG LEU A 14 1.690 2.292 -5.691 1.00 0.00 C ATOM 159 CD1 LEU A 14 1.957 3.730 -5.238 1.00 0.00 C ATOM 160 CD2 LEU A 14 2.894 1.405 -5.365 1.00 0.00 C ATOM 0 H LEU A 14 -1.225 0.735 -7.032 1.00 0.00 H new ATOM 0 HA LEU A 14 0.904 -0.335 -5.283 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -0.403 2.418 -5.208 1.00 0.00 H new ATOM 0 HB3 LEU A 14 0.587 1.762 -3.920 1.00 0.00 H new ATOM 0 HG LEU A 14 1.531 2.285 -6.769 1.00 0.00 H new ATOM 0 HD11 LEU A 14 2.852 4.107 -5.733 1.00 0.00 H new ATOM 0 HD12 LEU A 14 1.105 4.358 -5.499 1.00 0.00 H new ATOM 0 HD13 LEU A 14 2.105 3.750 -4.158 1.00 0.00 H new ATOM 0 HD21 LEU A 14 3.781 1.799 -5.861 1.00 0.00 H new ATOM 0 HD22 LEU A 14 3.056 1.393 -4.287 1.00 0.00 H new ATOM 0 HD23 LEU A 14 2.704 0.390 -5.715 1.00 0.00 H new ATOM 172 N VAL A 15 -0.818 -0.799 -3.448 1.00 0.00 N ATOM 173 CA VAL A 15 -1.807 -1.406 -2.553 1.00 0.00 C ATOM 174 C VAL A 15 -1.330 -1.300 -1.098 1.00 0.00 C ATOM 175 O VAL A 15 -0.147 -1.084 -0.840 1.00 0.00 O ATOM 176 CB VAL A 15 -2.064 -2.873 -2.981 1.00 0.00 C ATOM 177 CG1 VAL A 15 -2.649 -2.919 -4.398 1.00 0.00 C ATOM 178 CG2 VAL A 15 -0.808 -3.760 -2.939 1.00 0.00 C ATOM 0 H VAL A 15 0.140 -0.902 -3.115 1.00 0.00 H new ATOM 0 HA VAL A 15 -2.754 -0.871 -2.624 1.00 0.00 H new ATOM 0 HB VAL A 15 -2.770 -3.272 -2.252 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -2.825 -3.956 -4.686 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -3.591 -2.372 -4.421 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -1.947 -2.463 -5.096 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -1.066 -4.772 -3.251 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -0.053 -3.354 -3.612 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -0.413 -3.784 -1.923 1.00 0.00 H new ATOM 188 N PHE A 16 -2.232 -1.514 -0.135 1.00 0.00 N ATOM 189 CA PHE A 16 -1.831 -1.893 1.217 1.00 0.00 C ATOM 190 C PHE A 16 -2.085 -3.393 1.352 1.00 0.00 C ATOM 191 O PHE A 16 -3.190 -3.867 1.071 1.00 0.00 O ATOM 192 CB PHE A 16 -2.600 -1.086 2.272 1.00 0.00 C ATOM 193 CG PHE A 16 -2.241 0.391 2.304 1.00 0.00 C ATOM 194 CD1 PHE A 16 -1.053 0.817 2.923 1.00 0.00 C ATOM 195 CD2 PHE A 16 -3.075 1.348 1.699 1.00 0.00 C ATOM 196 CE1 PHE A 16 -0.704 2.180 2.932 1.00 0.00 C ATOM 197 CE2 PHE A 16 -2.732 2.705 1.705 1.00 0.00 C ATOM 198 CZ PHE A 16 -1.545 3.127 2.325 1.00 0.00 C ATOM 0 H PHE A 16 -3.240 -1.431 -0.269 1.00 0.00 H new ATOM 0 HA PHE A 16 -0.777 -1.673 1.385 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -3.669 -1.185 2.083 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -2.409 -1.517 3.255 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -0.404 0.094 3.395 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -3.992 1.032 1.224 1.00 0.00 H new ATOM 0 HE1 PHE A 16 0.212 2.499 3.407 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -3.381 3.428 1.233 1.00 0.00 H new ATOM 0 HZ PHE A 16 -1.280 4.174 2.335 1.00 0.00 H new ATOM 208 N ALA A 17 -1.064 -4.142 1.759 1.00 0.00 N ATOM 209 CA ALA A 17 -1.102 -5.579 1.983 1.00 0.00 C ATOM 210 C ALA A 17 -1.426 -5.865 3.451 1.00 0.00 C ATOM 211 O ALA A 17 -1.316 -4.976 4.300 1.00 0.00 O ATOM 212 CB ALA A 17 0.259 -6.173 1.613 1.00 0.00 C ATOM 0 H ALA A 17 -0.145 -3.742 1.950 1.00 0.00 H new ATOM 0 HA ALA A 17 -1.876 -6.033 1.363 1.00 0.00 H new ATOM 0 HB1 ALA A 17 0.242 -7.250 1.777 1.00 0.00 H new ATOM 0 HB2 ALA A 17 0.472 -5.969 0.564 1.00 0.00 H new ATOM 0 HB3 ALA A 17 1.033 -5.723 2.234 1.00 0.00 H new ATOM 218 N LYS A 18 -1.785 -7.111 3.773 1.00 0.00 N ATOM 219 CA LYS A 18 -2.126 -7.528 5.125 1.00 0.00 C ATOM 220 C LYS A 18 -1.533 -8.912 5.361 1.00 0.00 C ATOM 221 O LYS A 18 -2.051 -9.925 4.888 1.00 0.00 O ATOM 222 CB LYS A 18 -3.660 -7.506 5.275 1.00 0.00 C ATOM 223 CG LYS A 18 -4.135 -7.517 6.733 1.00 0.00 C ATOM 224 CD LYS A 18 -3.856 -6.163 7.417 1.00 0.00 C ATOM 225 CE LYS A 18 -4.755 -5.892 8.628 1.00 0.00 C ATOM 226 NZ LYS A 18 -6.185 -5.860 8.261 1.00 0.00 N ATOM 0 H LYS A 18 -1.846 -7.865 3.088 1.00 0.00 H new ATOM 0 HA LYS A 18 -1.714 -6.854 5.876 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -4.052 -6.617 4.781 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -4.080 -8.369 4.759 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -5.203 -7.733 6.769 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -3.629 -8.314 7.278 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -2.814 -6.134 7.735 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -3.990 -5.363 6.689 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -4.591 -6.663 9.381 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -4.476 -4.941 9.081 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -6.761 -5.742 9.119 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -6.360 -5.065 7.614 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -6.443 -6.751 7.791 1.00 0.00 H new ATOM 240 N MET A 19 -0.458 -8.947 6.146 1.00 0.00 N ATOM 241 CA MET A 19 0.092 -10.184 6.684 1.00 0.00 C ATOM 242 C MET A 19 -0.829 -10.690 7.798 1.00 0.00 C ATOM 243 O MET A 19 -1.660 -9.937 8.328 1.00 0.00 O ATOM 244 CB MET A 19 1.505 -9.922 7.239 1.00 0.00 C ATOM 245 CG MET A 19 2.633 -10.451 6.356 1.00 0.00 C ATOM 246 SD MET A 19 4.237 -10.423 7.207 1.00 0.00 S ATOM 247 CE MET A 19 4.574 -8.642 7.301 1.00 0.00 C ATOM 0 H MET A 19 0.057 -8.112 6.427 1.00 0.00 H new ATOM 0 HA MET A 19 0.159 -10.937 5.899 1.00 0.00 H new ATOM 0 HB2 MET A 19 1.637 -8.848 7.373 1.00 0.00 H new ATOM 0 HB3 MET A 19 1.586 -10.379 8.225 1.00 0.00 H new ATOM 0 HG2 MET A 19 2.404 -11.471 6.049 1.00 0.00 H new ATOM 0 HG3 MET A 19 2.694 -9.851 5.448 1.00 0.00 H new ATOM 0 HE1 MET A 19 5.453 -8.470 7.922 1.00 0.00 H new ATOM 0 HE2 MET A 19 4.756 -8.253 6.299 1.00 0.00 H new ATOM 0 HE3 MET A 19 3.716 -8.132 7.738 1.00 0.00 H new ATOM 257 N LYS A 20 -0.609 -11.929 8.250 1.00 0.00 N ATOM 258 CA LYS A 20 -1.161 -12.359 9.526 1.00 0.00 C ATOM 259 C LYS A 20 -0.601 -11.426 10.602 1.00 0.00 C ATOM 260 O LYS A 20 0.604 -11.179 10.662 1.00 0.00 O ATOM 261 CB LYS A 20 -0.784 -13.818 9.810 1.00 0.00 C ATOM 262 CG LYS A 20 -1.592 -14.426 10.971 1.00 0.00 C ATOM 263 CD LYS A 20 -2.844 -15.156 10.470 1.00 0.00 C ATOM 264 CE LYS A 20 -3.719 -15.583 11.653 1.00 0.00 C ATOM 265 NZ LYS A 20 -4.882 -16.387 11.226 1.00 0.00 N ATOM 0 H LYS A 20 -0.062 -12.636 7.758 1.00 0.00 H new ATOM 0 HA LYS A 20 -2.250 -12.308 9.513 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -0.945 -14.412 8.910 1.00 0.00 H new ATOM 0 HB3 LYS A 20 0.279 -13.875 10.044 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -0.963 -15.122 11.527 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -1.884 -13.637 11.664 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -3.412 -14.505 9.805 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -2.555 -16.031 9.888 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -3.119 -16.160 12.356 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -4.067 -14.697 12.183 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -5.445 -16.653 12.059 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -5.470 -15.828 10.575 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -4.551 -17.246 10.743 1.00 0.00 H new ATOM 279 N GLY A 21 -1.483 -10.883 11.427 1.00 0.00 N ATOM 280 CA GLY A 21 -1.193 -10.169 12.657 1.00 0.00 C ATOM 281 C GLY A 21 -0.734 -8.726 12.494 1.00 0.00 C ATOM 282 O GLY A 21 -1.014 -7.922 13.385 1.00 0.00 O ATOM 0 H GLY A 21 -2.485 -10.934 11.241 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -2.088 -10.178 13.279 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -0.422 -10.716 13.199 1.00 0.00 H new ATOM 286 N TYR A 22 -0.063 -8.387 11.396 1.00 0.00 N ATOM 287 CA TYR A 22 0.392 -7.036 11.086 1.00 0.00 C ATOM 288 C TYR A 22 -0.782 -6.121 10.681 1.00 0.00 C ATOM 289 O TYR A 22 -1.892 -6.583 10.390 1.00 0.00 O ATOM 290 CB TYR A 22 1.455 -7.134 9.976 1.00 0.00 C ATOM 291 CG TYR A 22 2.854 -7.481 10.473 1.00 0.00 C ATOM 292 CD1 TYR A 22 3.755 -6.456 10.821 1.00 0.00 C ATOM 293 CD2 TYR A 22 3.280 -8.819 10.554 1.00 0.00 C ATOM 294 CE1 TYR A 22 5.066 -6.754 11.232 1.00 0.00 C ATOM 295 CE2 TYR A 22 4.588 -9.130 10.976 1.00 0.00 C ATOM 296 CZ TYR A 22 5.493 -8.097 11.308 1.00 0.00 C ATOM 297 OH TYR A 22 6.764 -8.382 11.710 1.00 0.00 O ATOM 0 H TYR A 22 0.186 -9.066 10.677 1.00 0.00 H new ATOM 0 HA TYR A 22 0.832 -6.580 11.973 1.00 0.00 H new ATOM 0 HB2 TYR A 22 1.141 -7.889 9.255 1.00 0.00 H new ATOM 0 HB3 TYR A 22 1.497 -6.183 9.445 1.00 0.00 H new ATOM 0 HD1 TYR A 22 3.434 -5.426 10.771 1.00 0.00 H new ATOM 0 HD2 TYR A 22 2.599 -9.615 10.291 1.00 0.00 H new ATOM 0 HE1 TYR A 22 5.746 -5.956 11.489 1.00 0.00 H new ATOM 0 HE2 TYR A 22 4.900 -10.162 11.046 1.00 0.00 H new ATOM 0 HH TYR A 22 6.897 -9.353 11.709 1.00 0.00 H new ATOM 307 N PRO A 23 -0.554 -4.797 10.701 1.00 0.00 N ATOM 308 CA PRO A 23 -1.444 -3.797 10.130 1.00 0.00 C ATOM 309 C PRO A 23 -1.334 -3.773 8.597 1.00 0.00 C ATOM 310 O PRO A 23 -0.527 -4.487 8.004 1.00 0.00 O ATOM 311 CB PRO A 23 -1.018 -2.475 10.787 1.00 0.00 C ATOM 312 CG PRO A 23 0.463 -2.682 11.113 1.00 0.00 C ATOM 313 CD PRO A 23 0.620 -4.175 11.291 1.00 0.00 C ATOM 0 HA PRO A 23 -2.496 -4.004 10.324 1.00 0.00 H new ATOM 0 HB2 PRO A 23 -1.164 -1.630 10.114 1.00 0.00 H new ATOM 0 HB3 PRO A 23 -1.600 -2.271 11.686 1.00 0.00 H new ATOM 0 HG2 PRO A 23 1.099 -2.311 10.309 1.00 0.00 H new ATOM 0 HG3 PRO A 23 0.747 -2.145 12.018 1.00 0.00 H new ATOM 0 HD2 PRO A 23 1.529 -4.528 10.805 1.00 0.00 H new ATOM 0 HD3 PRO A 23 0.703 -4.431 12.347 1.00 0.00 H new ATOM 321 N HIS A 24 -2.179 -2.949 7.972 1.00 0.00 N ATOM 322 CA HIS A 24 -2.259 -2.687 6.537 1.00 0.00 C ATOM 323 C HIS A 24 -0.942 -2.057 6.048 1.00 0.00 C ATOM 324 O HIS A 24 -0.792 -0.836 6.088 1.00 0.00 O ATOM 325 CB HIS A 24 -3.470 -1.763 6.273 1.00 0.00 C ATOM 326 CG HIS A 24 -4.770 -2.243 6.877 1.00 0.00 C ATOM 327 ND1 HIS A 24 -5.222 -1.975 8.157 1.00 0.00 N ATOM 328 CD2 HIS A 24 -5.713 -3.014 6.249 1.00 0.00 C ATOM 329 CE1 HIS A 24 -6.399 -2.605 8.303 1.00 0.00 C ATOM 330 NE2 HIS A 24 -6.733 -3.263 7.179 1.00 0.00 N ATOM 0 H HIS A 24 -2.872 -2.412 8.493 1.00 0.00 H new ATOM 0 HA HIS A 24 -2.401 -3.615 5.983 1.00 0.00 H new ATOM 0 HB2 HIS A 24 -3.246 -0.771 6.666 1.00 0.00 H new ATOM 0 HB3 HIS A 24 -3.602 -1.657 5.196 1.00 0.00 H new ATOM 0 HD2 HIS A 24 -5.677 -3.365 5.228 1.00 0.00 H new ATOM 0 HE1 HIS A 24 -6.997 -2.586 9.202 1.00 0.00 H new ATOM 0 HE2 HIS A 24 -7.566 -3.833 7.031 1.00 0.00 H new ATOM 338 N TRP A 25 0.050 -2.855 5.662 1.00 0.00 N ATOM 339 CA TRP A 25 1.408 -2.390 5.385 1.00 0.00 C ATOM 340 C TRP A 25 1.497 -1.928 3.921 1.00 0.00 C ATOM 341 O TRP A 25 0.936 -2.606 3.057 1.00 0.00 O ATOM 342 CB TRP A 25 2.391 -3.522 5.736 1.00 0.00 C ATOM 343 CG TRP A 25 3.807 -3.114 6.021 1.00 0.00 C ATOM 344 CD1 TRP A 25 4.733 -2.696 5.125 1.00 0.00 C ATOM 345 CD2 TRP A 25 4.486 -3.096 7.313 1.00 0.00 C ATOM 346 NE1 TRP A 25 5.901 -2.361 5.779 1.00 0.00 N ATOM 347 CE2 TRP A 25 5.793 -2.556 7.135 1.00 0.00 C ATOM 348 CE3 TRP A 25 4.119 -3.479 8.621 1.00 0.00 C ATOM 349 CZ2 TRP A 25 6.671 -2.352 8.209 1.00 0.00 C ATOM 350 CZ3 TRP A 25 4.995 -3.285 9.707 1.00 0.00 C ATOM 351 CH2 TRP A 25 6.260 -2.712 9.500 1.00 0.00 C ATOM 0 H TRP A 25 -0.068 -3.860 5.530 1.00 0.00 H new ATOM 0 HA TRP A 25 1.674 -1.528 5.997 1.00 0.00 H new ATOM 0 HB2 TRP A 25 2.006 -4.050 6.608 1.00 0.00 H new ATOM 0 HB3 TRP A 25 2.400 -4.234 4.911 1.00 0.00 H new ATOM 0 HD1 TRP A 25 4.580 -2.634 4.058 1.00 0.00 H new ATOM 0 HE1 TRP A 25 6.739 -2.012 5.314 1.00 0.00 H new ATOM 0 HE3 TRP A 25 3.152 -3.928 8.792 1.00 0.00 H new ATOM 0 HZ2 TRP A 25 7.649 -1.924 8.044 1.00 0.00 H new ATOM 0 HZ3 TRP A 25 4.693 -3.578 10.702 1.00 0.00 H new ATOM 0 HH2 TRP A 25 6.920 -2.548 10.339 1.00 0.00 H new ATOM 362 N PRO A 26 2.161 -0.805 3.591 1.00 0.00 N ATOM 363 CA PRO A 26 2.267 -0.324 2.209 1.00 0.00 C ATOM 364 C PRO A 26 3.025 -1.318 1.320 1.00 0.00 C ATOM 365 O PRO A 26 4.030 -1.883 1.756 1.00 0.00 O ATOM 366 CB PRO A 26 2.982 1.028 2.312 1.00 0.00 C ATOM 367 CG PRO A 26 3.724 0.984 3.643 1.00 0.00 C ATOM 368 CD PRO A 26 2.814 0.120 4.508 1.00 0.00 C ATOM 0 HA PRO A 26 1.290 -0.221 1.737 1.00 0.00 H new ATOM 0 HB2 PRO A 26 3.672 1.174 1.481 1.00 0.00 H new ATOM 0 HB3 PRO A 26 2.271 1.853 2.284 1.00 0.00 H new ATOM 0 HG2 PRO A 26 4.717 0.547 3.538 1.00 0.00 H new ATOM 0 HG3 PRO A 26 3.857 1.980 4.065 1.00 0.00 H new ATOM 0 HD2 PRO A 26 3.387 -0.417 5.264 1.00 0.00 H new ATOM 0 HD3 PRO A 26 2.081 0.730 5.037 1.00 0.00 H new ATOM 376 N ALA A 27 2.556 -1.559 0.092 1.00 0.00 N ATOM 377 CA ALA A 27 3.221 -2.419 -0.881 1.00 0.00 C ATOM 378 C ALA A 27 3.033 -1.889 -2.303 1.00 0.00 C ATOM 379 O ALA A 27 2.172 -1.049 -2.583 1.00 0.00 O ATOM 380 CB ALA A 27 2.670 -3.851 -0.793 1.00 0.00 C ATOM 0 H ALA A 27 1.688 -1.153 -0.256 1.00 0.00 H new ATOM 0 HA ALA A 27 4.286 -2.424 -0.647 1.00 0.00 H new ATOM 0 HB1 ALA A 27 3.176 -4.481 -1.525 1.00 0.00 H new ATOM 0 HB2 ALA A 27 2.843 -4.247 0.208 1.00 0.00 H new ATOM 0 HB3 ALA A 27 1.600 -3.842 -0.999 1.00 0.00 H new ATOM 386 N ARG A 28 3.809 -2.446 -3.230 1.00 0.00 N ATOM 387 CA ARG A 28 3.646 -2.251 -4.666 1.00 0.00 C ATOM 388 C ARG A 28 3.207 -3.582 -5.265 1.00 0.00 C ATOM 389 O ARG A 28 3.509 -4.632 -4.691 1.00 0.00 O ATOM 390 CB ARG A 28 4.961 -1.689 -5.252 1.00 0.00 C ATOM 391 CG ARG A 28 5.895 -2.736 -5.869 1.00 0.00 C ATOM 392 CD ARG A 28 7.335 -2.260 -6.041 1.00 0.00 C ATOM 393 NE ARG A 28 7.604 -1.655 -7.350 1.00 0.00 N ATOM 394 CZ ARG A 28 8.819 -1.567 -7.904 1.00 0.00 C ATOM 395 NH1 ARG A 28 9.837 -2.276 -7.434 1.00 0.00 N ATOM 396 NH2 ARG A 28 9.001 -0.734 -8.916 1.00 0.00 N ATOM 0 H ARG A 28 4.588 -3.061 -2.996 1.00 0.00 H new ATOM 0 HA ARG A 28 2.877 -1.518 -4.908 1.00 0.00 H new ATOM 0 HB2 ARG A 28 4.715 -0.950 -6.014 1.00 0.00 H new ATOM 0 HB3 ARG A 28 5.499 -1.165 -4.462 1.00 0.00 H new ATOM 0 HG2 ARG A 28 5.890 -3.627 -5.241 1.00 0.00 H new ATOM 0 HG3 ARG A 28 5.502 -3.030 -6.842 1.00 0.00 H new ATOM 0 HD2 ARG A 28 7.564 -1.534 -5.261 1.00 0.00 H new ATOM 0 HD3 ARG A 28 8.007 -3.106 -5.896 1.00 0.00 H new ATOM 0 HE ARG A 28 6.813 -1.277 -7.872 1.00 0.00 H new ATOM 0 HH11 ARG A 28 9.700 -2.900 -6.639 1.00 0.00 H new ATOM 0 HH12 ARG A 28 10.757 -2.197 -7.868 1.00 0.00 H new ATOM 0 HH21 ARG A 28 8.222 -0.173 -9.261 1.00 0.00 H new ATOM 0 HH22 ARG A 28 9.920 -0.653 -9.351 1.00 0.00 H new ATOM 410 N ILE A 29 2.543 -3.557 -6.418 1.00 0.00 N ATOM 411 CA ILE A 29 2.479 -4.736 -7.268 1.00 0.00 C ATOM 412 C ILE A 29 3.788 -4.702 -8.048 1.00 0.00 C ATOM 413 O ILE A 29 4.000 -3.795 -8.861 1.00 0.00 O ATOM 414 CB ILE A 29 1.252 -4.731 -8.198 1.00 0.00 C ATOM 415 CG1 ILE A 29 -0.073 -4.364 -7.502 1.00 0.00 C ATOM 416 CG2 ILE A 29 1.134 -6.102 -8.895 1.00 0.00 C ATOM 417 CD1 ILE A 29 -0.519 -5.306 -6.382 1.00 0.00 C ATOM 0 H ILE A 29 2.048 -2.742 -6.780 1.00 0.00 H new ATOM 0 HA ILE A 29 2.363 -5.651 -6.686 1.00 0.00 H new ATOM 0 HB ILE A 29 1.421 -3.940 -8.929 1.00 0.00 H new ATOM 0 HG12 ILE A 29 0.021 -3.359 -7.090 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -0.860 -4.328 -8.256 1.00 0.00 H new ATOM 0 HG21 ILE A 29 0.266 -6.102 -9.554 1.00 0.00 H new ATOM 0 HG22 ILE A 29 2.034 -6.291 -9.480 1.00 0.00 H new ATOM 0 HG23 ILE A 29 1.019 -6.883 -8.144 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -1.461 -4.953 -5.963 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -0.654 -6.310 -6.783 1.00 0.00 H new ATOM 0 HD13 ILE A 29 0.240 -5.327 -5.600 1.00 0.00 H new ATOM 429 N ASP A 30 4.698 -5.606 -7.701 1.00 0.00 N ATOM 430 CA ASP A 30 5.996 -5.726 -8.351 1.00 0.00 C ATOM 431 C ASP A 30 5.828 -6.518 -9.667 1.00 0.00 C ATOM 432 O ASP A 30 4.699 -6.856 -10.055 1.00 0.00 O ATOM 433 CB ASP A 30 6.964 -6.355 -7.337 1.00 0.00 C ATOM 434 CG ASP A 30 8.428 -6.084 -7.667 1.00 0.00 C ATOM 435 OD1 ASP A 30 8.827 -4.897 -7.700 1.00 0.00 O ATOM 436 OD2 ASP A 30 9.173 -7.059 -7.881 1.00 0.00 O ATOM 0 H ASP A 30 4.552 -6.283 -6.952 1.00 0.00 H new ATOM 0 HA ASP A 30 6.419 -4.765 -8.642 1.00 0.00 H new ATOM 0 HB2 ASP A 30 6.743 -5.967 -6.343 1.00 0.00 H new ATOM 0 HB3 ASP A 30 6.798 -7.432 -7.303 1.00 0.00 H new ATOM 441 N GLU A 31 6.915 -6.841 -10.372 1.00 0.00 N ATOM 442 CA GLU A 31 6.878 -7.647 -11.591 1.00 0.00 C ATOM 443 C GLU A 31 7.882 -8.797 -11.468 1.00 0.00 C ATOM 444 O GLU A 31 8.478 -9.017 -10.411 1.00 0.00 O ATOM 445 CB GLU A 31 7.115 -6.774 -12.836 1.00 0.00 C ATOM 446 CG GLU A 31 6.342 -7.308 -14.054 1.00 0.00 C ATOM 447 CD GLU A 31 6.798 -6.750 -15.405 1.00 0.00 C ATOM 448 OE1 GLU A 31 7.987 -6.394 -15.563 1.00 0.00 O ATOM 449 OE2 GLU A 31 5.949 -6.738 -16.333 1.00 0.00 O ATOM 0 H GLU A 31 7.855 -6.546 -10.108 1.00 0.00 H new ATOM 0 HA GLU A 31 5.887 -8.084 -11.716 1.00 0.00 H new ATOM 0 HB2 GLU A 31 6.806 -5.750 -12.628 1.00 0.00 H new ATOM 0 HB3 GLU A 31 8.180 -6.745 -13.064 1.00 0.00 H new ATOM 0 HG2 GLU A 31 6.434 -8.394 -14.076 1.00 0.00 H new ATOM 0 HG3 GLU A 31 5.284 -7.081 -13.922 1.00 0.00 H new ATOM 456 N LEU A 32 8.024 -9.604 -12.515 1.00 0.00 N ATOM 457 CA LEU A 32 8.707 -10.885 -12.506 1.00 0.00 C ATOM 458 C LEU A 32 9.430 -10.965 -13.849 1.00 0.00 C ATOM 459 O LEU A 32 8.753 -10.922 -14.876 1.00 0.00 O ATOM 460 CB LEU A 32 7.677 -12.016 -12.391 1.00 0.00 C ATOM 461 CG LEU A 32 6.909 -12.039 -11.053 1.00 0.00 C ATOM 462 CD1 LEU A 32 5.476 -12.517 -11.260 1.00 0.00 C ATOM 463 CD2 LEU A 32 7.627 -12.926 -10.039 1.00 0.00 C ATOM 0 H LEU A 32 7.647 -9.368 -13.433 1.00 0.00 H new ATOM 0 HA LEU A 32 9.398 -10.981 -11.668 1.00 0.00 H new ATOM 0 HB2 LEU A 32 6.960 -11.924 -13.207 1.00 0.00 H new ATOM 0 HB3 LEU A 32 8.187 -12.971 -12.521 1.00 0.00 H new ATOM 0 HG LEU A 32 6.876 -11.022 -10.661 1.00 0.00 H new ATOM 0 HD11 LEU A 32 4.953 -12.525 -10.303 1.00 0.00 H new ATOM 0 HD12 LEU A 32 4.964 -11.844 -11.948 1.00 0.00 H new ATOM 0 HD13 LEU A 32 5.485 -13.524 -11.677 1.00 0.00 H new ATOM 0 HD21 LEU A 32 7.071 -12.930 -9.101 1.00 0.00 H new ATOM 0 HD22 LEU A 32 7.692 -13.943 -10.427 1.00 0.00 H new ATOM 0 HD23 LEU A 32 8.631 -12.539 -9.864 1.00 0.00 H new ATOM 475 N PRO A 33 10.768 -11.015 -13.874 1.00 0.00 N ATOM 476 CA PRO A 33 11.523 -11.041 -15.112 1.00 0.00 C ATOM 477 C PRO A 33 11.361 -12.404 -15.792 1.00 0.00 C ATOM 478 O PRO A 33 11.212 -13.436 -15.130 1.00 0.00 O ATOM 479 CB PRO A 33 12.967 -10.757 -14.693 1.00 0.00 C ATOM 480 CG PRO A 33 13.050 -11.348 -13.293 1.00 0.00 C ATOM 481 CD PRO A 33 11.645 -11.134 -12.726 1.00 0.00 C ATOM 0 HA PRO A 33 11.184 -10.307 -15.843 1.00 0.00 H new ATOM 0 HB2 PRO A 33 13.681 -11.225 -15.370 1.00 0.00 H new ATOM 0 HB3 PRO A 33 13.182 -9.688 -14.692 1.00 0.00 H new ATOM 0 HG2 PRO A 33 13.315 -12.405 -13.319 1.00 0.00 H new ATOM 0 HG3 PRO A 33 13.806 -10.845 -12.690 1.00 0.00 H new ATOM 0 HD2 PRO A 33 11.348 -11.970 -12.092 1.00 0.00 H new ATOM 0 HD3 PRO A 33 11.605 -10.236 -12.109 1.00 0.00 H new ATOM 489 N GLU A 34 11.463 -12.409 -17.120 1.00 0.00 N ATOM 490 CA GLU A 34 11.137 -13.506 -18.032 1.00 0.00 C ATOM 491 C GLU A 34 12.095 -14.711 -17.961 1.00 0.00 C ATOM 492 O GLU A 34 12.203 -15.468 -18.930 1.00 0.00 O ATOM 493 CB GLU A 34 11.088 -12.947 -19.463 1.00 0.00 C ATOM 494 CG GLU A 34 9.910 -11.996 -19.696 1.00 0.00 C ATOM 495 CD GLU A 34 9.992 -11.425 -21.105 1.00 0.00 C ATOM 496 OE1 GLU A 34 9.960 -12.201 -22.084 1.00 0.00 O ATOM 497 OE2 GLU A 34 10.182 -10.198 -21.252 1.00 0.00 O ATOM 0 H GLU A 34 11.800 -11.588 -17.624 1.00 0.00 H new ATOM 0 HA GLU A 34 10.170 -13.900 -17.721 1.00 0.00 H new ATOM 0 HB2 GLU A 34 12.019 -12.421 -19.673 1.00 0.00 H new ATOM 0 HB3 GLU A 34 11.024 -13.775 -20.168 1.00 0.00 H new ATOM 0 HG2 GLU A 34 8.968 -12.527 -19.561 1.00 0.00 H new ATOM 0 HG3 GLU A 34 9.929 -11.189 -18.963 1.00 0.00 H new ATOM 504 N GLY A 35 12.790 -14.925 -16.849 1.00 0.00 N ATOM 505 CA GLY A 35 13.605 -16.107 -16.607 1.00 0.00 C ATOM 506 C GLY A 35 13.555 -16.589 -15.159 1.00 0.00 C ATOM 507 O GLY A 35 14.229 -17.571 -14.843 1.00 0.00 O ATOM 0 H GLY A 35 12.802 -14.264 -16.072 1.00 0.00 H new ATOM 0 HA2 GLY A 35 13.270 -16.911 -17.262 1.00 0.00 H new ATOM 0 HA3 GLY A 35 14.639 -15.888 -16.874 1.00 0.00 H new ATOM 511 N ALA A 36 12.819 -15.917 -14.265 1.00 0.00 N ATOM 512 CA ALA A 36 12.931 -16.138 -12.831 1.00 0.00 C ATOM 513 C ALA A 36 11.863 -17.089 -12.286 1.00 0.00 C ATOM 514 O ALA A 36 10.923 -17.464 -12.995 1.00 0.00 O ATOM 515 CB ALA A 36 12.880 -14.787 -12.111 1.00 0.00 C ATOM 0 H ALA A 36 12.132 -15.208 -14.522 1.00 0.00 H new ATOM 0 HA ALA A 36 13.887 -16.626 -12.643 1.00 0.00 H new ATOM 0 HB1 ALA A 36 12.963 -14.944 -11.036 1.00 0.00 H new ATOM 0 HB2 ALA A 36 13.706 -14.162 -12.451 1.00 0.00 H new ATOM 0 HB3 ALA A 36 11.935 -14.292 -12.333 1.00 0.00 H new ATOM 521 N VAL A 37 12.005 -17.392 -10.991 1.00 0.00 N ATOM 522 CA VAL A 37 11.006 -17.963 -10.091 1.00 0.00 C ATOM 523 C VAL A 37 9.627 -17.410 -10.460 1.00 0.00 C ATOM 524 O VAL A 37 9.478 -16.191 -10.624 1.00 0.00 O ATOM 525 CB VAL A 37 11.380 -17.624 -8.628 1.00 0.00 C ATOM 526 CG1 VAL A 37 10.394 -18.201 -7.605 1.00 0.00 C ATOM 527 CG2 VAL A 37 12.785 -18.098 -8.223 1.00 0.00 C ATOM 0 H VAL A 37 12.891 -17.231 -10.512 1.00 0.00 H new ATOM 0 HA VAL A 37 10.978 -19.048 -10.190 1.00 0.00 H new ATOM 0 HB VAL A 37 11.345 -16.535 -8.610 1.00 0.00 H new ATOM 0 HG11 VAL A 37 10.712 -17.928 -6.599 1.00 0.00 H new ATOM 0 HG12 VAL A 37 9.398 -17.799 -7.792 1.00 0.00 H new ATOM 0 HG13 VAL A 37 10.370 -19.287 -7.696 1.00 0.00 H new ATOM 0 HG21 VAL A 37 12.976 -17.825 -7.185 1.00 0.00 H new ATOM 0 HG22 VAL A 37 12.849 -19.181 -8.331 1.00 0.00 H new ATOM 0 HG23 VAL A 37 13.528 -17.625 -8.865 1.00 0.00 H new ATOM 537 N LYS A 38 8.640 -18.300 -10.597 1.00 0.00 N ATOM 538 CA LYS A 38 7.322 -17.960 -11.114 1.00 0.00 C ATOM 539 C LYS A 38 6.228 -18.191 -10.055 1.00 0.00 C ATOM 540 O LYS A 38 6.304 -19.160 -9.288 1.00 0.00 O ATOM 541 CB LYS A 38 7.108 -18.690 -12.447 1.00 0.00 C ATOM 542 CG LYS A 38 6.876 -20.199 -12.304 1.00 0.00 C ATOM 543 CD LYS A 38 7.233 -20.928 -13.607 1.00 0.00 C ATOM 544 CE LYS A 38 6.498 -22.268 -13.739 1.00 0.00 C ATOM 545 NZ LYS A 38 6.771 -23.186 -12.615 1.00 0.00 N ATOM 0 H LYS A 38 8.740 -19.284 -10.348 1.00 0.00 H new ATOM 0 HA LYS A 38 7.253 -16.894 -11.330 1.00 0.00 H new ATOM 0 HB2 LYS A 38 6.252 -18.248 -12.957 1.00 0.00 H new ATOM 0 HB3 LYS A 38 7.978 -18.526 -13.083 1.00 0.00 H new ATOM 0 HG2 LYS A 38 7.481 -20.589 -11.486 1.00 0.00 H new ATOM 0 HG3 LYS A 38 5.834 -20.389 -12.049 1.00 0.00 H new ATOM 0 HD2 LYS A 38 6.984 -20.293 -14.457 1.00 0.00 H new ATOM 0 HD3 LYS A 38 8.309 -21.100 -13.643 1.00 0.00 H new ATOM 0 HE2 LYS A 38 5.425 -22.084 -13.799 1.00 0.00 H new ATOM 0 HE3 LYS A 38 6.792 -22.747 -14.673 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 6.304 -24.098 -12.791 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 7.797 -23.333 -12.529 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 6.405 -22.774 -11.733 1.00 0.00 H new ATOM 559 N PRO A 39 5.218 -17.306 -9.993 1.00 0.00 N ATOM 560 CA PRO A 39 4.331 -17.170 -8.840 1.00 0.00 C ATOM 561 C PRO A 39 3.185 -18.182 -8.861 1.00 0.00 C ATOM 562 O PRO A 39 2.836 -18.721 -9.921 1.00 0.00 O ATOM 563 CB PRO A 39 3.774 -15.747 -8.946 1.00 0.00 C ATOM 564 CG PRO A 39 3.732 -15.537 -10.457 1.00 0.00 C ATOM 565 CD PRO A 39 5.042 -16.175 -10.883 1.00 0.00 C ATOM 0 HA PRO A 39 4.870 -17.355 -7.911 1.00 0.00 H new ATOM 0 HB2 PRO A 39 2.786 -15.660 -8.494 1.00 0.00 H new ATOM 0 HB3 PRO A 39 4.416 -15.019 -8.450 1.00 0.00 H new ATOM 0 HG2 PRO A 39 2.870 -16.022 -10.916 1.00 0.00 H new ATOM 0 HG3 PRO A 39 3.683 -14.481 -10.724 1.00 0.00 H new ATOM 0 HD2 PRO A 39 5.004 -16.495 -11.924 1.00 0.00 H new ATOM 0 HD3 PRO A 39 5.870 -15.472 -10.795 1.00 0.00 H new ATOM 573 N PRO A 40 2.536 -18.411 -7.709 1.00 0.00 N ATOM 574 CA PRO A 40 1.507 -19.418 -7.580 1.00 0.00 C ATOM 575 C PRO A 40 0.167 -18.913 -8.096 1.00 0.00 C ATOM 576 O PRO A 40 -0.023 -17.731 -8.388 1.00 0.00 O ATOM 577 CB PRO A 40 1.473 -19.738 -6.090 1.00 0.00 C ATOM 578 CG PRO A 40 1.795 -18.412 -5.434 1.00 0.00 C ATOM 579 CD PRO A 40 2.723 -17.732 -6.432 1.00 0.00 C ATOM 0 HA PRO A 40 1.714 -20.307 -8.176 1.00 0.00 H new ATOM 0 HB2 PRO A 40 0.496 -20.111 -5.782 1.00 0.00 H new ATOM 0 HB3 PRO A 40 2.204 -20.503 -5.827 1.00 0.00 H new ATOM 0 HG2 PRO A 40 0.895 -17.823 -5.258 1.00 0.00 H new ATOM 0 HG3 PRO A 40 2.279 -18.550 -4.467 1.00 0.00 H new ATOM 0 HD2 PRO A 40 2.487 -16.672 -6.519 1.00 0.00 H new ATOM 0 HD3 PRO A 40 3.760 -17.802 -6.105 1.00 0.00 H new ATOM 587 N ALA A 41 -0.780 -19.824 -8.263 1.00 0.00 N ATOM 588 CA ALA A 41 -2.071 -19.541 -8.820 1.00 0.00 C ATOM 589 C ALA A 41 -2.808 -18.556 -7.927 1.00 0.00 C ATOM 590 O ALA A 41 -2.868 -18.746 -6.708 1.00 0.00 O ATOM 591 CB ALA A 41 -2.868 -20.833 -9.017 1.00 0.00 C ATOM 0 H ALA A 41 -0.657 -20.803 -8.004 1.00 0.00 H new ATOM 0 HA ALA A 41 -1.949 -19.085 -9.802 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -3.844 -20.597 -9.440 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -2.328 -21.494 -9.695 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -3.000 -21.329 -8.056 1.00 0.00 H new ATOM 597 N ASN A 42 -3.409 -17.574 -8.592 1.00 0.00 N ATOM 598 CA ASN A 42 -4.264 -16.515 -8.048 1.00 0.00 C ATOM 599 C ASN A 42 -3.517 -15.571 -7.088 1.00 0.00 C ATOM 600 O ASN A 42 -4.114 -15.066 -6.138 1.00 0.00 O ATOM 601 CB ASN A 42 -5.580 -17.085 -7.468 1.00 0.00 C ATOM 602 CG ASN A 42 -6.543 -17.520 -8.560 1.00 0.00 C ATOM 603 OD1 ASN A 42 -7.313 -16.711 -9.062 1.00 0.00 O ATOM 604 ND2 ASN A 42 -6.545 -18.777 -8.971 1.00 0.00 N ATOM 0 H ASN A 42 -3.305 -17.488 -9.603 1.00 0.00 H new ATOM 0 HA ASN A 42 -4.554 -15.878 -8.884 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -5.354 -17.935 -6.824 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -6.058 -16.330 -6.843 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -7.188 -19.072 -9.706 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -5.904 -19.451 -8.553 1.00 0.00 H new ATOM 611 N LYS A 43 -2.214 -15.315 -7.300 1.00 0.00 N ATOM 612 CA LYS A 43 -1.402 -14.423 -6.449 1.00 0.00 C ATOM 613 C LYS A 43 -0.563 -13.427 -7.258 1.00 0.00 C ATOM 614 O LYS A 43 -0.408 -13.611 -8.471 1.00 0.00 O ATOM 615 CB LYS A 43 -0.519 -15.248 -5.488 1.00 0.00 C ATOM 616 CG LYS A 43 -1.348 -16.263 -4.683 1.00 0.00 C ATOM 617 CD LYS A 43 -0.799 -16.596 -3.299 1.00 0.00 C ATOM 618 CE LYS A 43 -1.710 -17.621 -2.620 1.00 0.00 C ATOM 619 NZ LYS A 43 -1.361 -17.781 -1.196 1.00 0.00 N ATOM 0 H LYS A 43 -1.689 -15.724 -8.073 1.00 0.00 H new ATOM 0 HA LYS A 43 -2.098 -13.825 -5.860 1.00 0.00 H new ATOM 0 HB2 LYS A 43 0.246 -15.774 -6.058 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -0.001 -14.577 -4.803 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -2.360 -15.874 -4.571 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -1.422 -17.186 -5.259 1.00 0.00 H new ATOM 0 HD2 LYS A 43 0.213 -16.993 -3.384 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -0.737 -15.692 -2.694 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -2.749 -17.304 -2.710 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -1.625 -18.581 -3.129 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -1.994 -18.482 -0.760 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -0.376 -18.106 -1.114 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -1.466 -16.869 -0.708 1.00 0.00 H new ATOM 633 N TYR A 44 0.004 -12.432 -6.565 1.00 0.00 N ATOM 634 CA TYR A 44 0.830 -11.311 -7.022 1.00 0.00 C ATOM 635 C TYR A 44 2.156 -11.288 -6.262 1.00 0.00 C ATOM 636 O TYR A 44 2.166 -11.727 -5.111 1.00 0.00 O ATOM 637 CB TYR A 44 0.113 -9.993 -6.706 1.00 0.00 C ATOM 638 CG TYR A 44 -1.221 -9.899 -7.386 1.00 0.00 C ATOM 639 CD1 TYR A 44 -1.261 -9.770 -8.782 1.00 0.00 C ATOM 640 CD2 TYR A 44 -2.404 -10.061 -6.645 1.00 0.00 C ATOM 641 CE1 TYR A 44 -2.479 -9.905 -9.456 1.00 0.00 C ATOM 642 CE2 TYR A 44 -3.630 -10.147 -7.318 1.00 0.00 C ATOM 643 CZ TYR A 44 -3.668 -10.118 -8.728 1.00 0.00 C ATOM 644 OH TYR A 44 -4.832 -10.364 -9.382 1.00 0.00 O ATOM 0 H TYR A 44 -0.121 -12.390 -5.554 1.00 0.00 H new ATOM 0 HA TYR A 44 1.003 -11.427 -8.092 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -0.023 -9.904 -5.628 1.00 0.00 H new ATOM 0 HB3 TYR A 44 0.738 -9.157 -7.018 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -0.355 -9.567 -9.334 1.00 0.00 H new ATOM 0 HD2 TYR A 44 -2.369 -10.119 -5.567 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -2.509 -9.846 -10.534 1.00 0.00 H new ATOM 0 HE2 TYR A 44 -4.548 -10.236 -6.756 1.00 0.00 H new ATOM 0 HH TYR A 44 -5.553 -10.489 -8.730 1.00 0.00 H new ATOM 654 N PRO A 45 3.245 -10.749 -6.838 1.00 0.00 N ATOM 655 CA PRO A 45 4.466 -10.413 -6.117 1.00 0.00 C ATOM 656 C PRO A 45 4.252 -9.113 -5.319 1.00 0.00 C ATOM 657 O PRO A 45 4.256 -8.015 -5.883 1.00 0.00 O ATOM 658 CB PRO A 45 5.523 -10.264 -7.214 1.00 0.00 C ATOM 659 CG PRO A 45 4.730 -9.683 -8.385 1.00 0.00 C ATOM 660 CD PRO A 45 3.357 -10.331 -8.230 1.00 0.00 C ATOM 0 HA PRO A 45 4.768 -11.163 -5.386 1.00 0.00 H new ATOM 0 HB2 PRO A 45 6.332 -9.601 -6.907 1.00 0.00 H new ATOM 0 HB3 PRO A 45 5.976 -11.222 -7.470 1.00 0.00 H new ATOM 0 HG2 PRO A 45 4.671 -8.596 -8.332 1.00 0.00 H new ATOM 0 HG3 PRO A 45 5.187 -9.931 -9.343 1.00 0.00 H new ATOM 0 HD2 PRO A 45 2.566 -9.627 -8.487 1.00 0.00 H new ATOM 0 HD3 PRO A 45 3.254 -11.185 -8.900 1.00 0.00 H new ATOM 668 N ILE A 46 4.032 -9.222 -4.010 1.00 0.00 N ATOM 669 CA ILE A 46 3.756 -8.090 -3.135 1.00 0.00 C ATOM 670 C ILE A 46 5.047 -7.764 -2.379 1.00 0.00 C ATOM 671 O ILE A 46 5.440 -8.486 -1.462 1.00 0.00 O ATOM 672 CB ILE A 46 2.523 -8.420 -2.265 1.00 0.00 C ATOM 673 CG1 ILE A 46 1.268 -8.704 -3.131 1.00 0.00 C ATOM 674 CG2 ILE A 46 2.181 -7.328 -1.246 1.00 0.00 C ATOM 675 CD1 ILE A 46 0.876 -7.578 -4.107 1.00 0.00 C ATOM 0 H ILE A 46 4.041 -10.117 -3.521 1.00 0.00 H new ATOM 0 HA ILE A 46 3.482 -7.180 -3.669 1.00 0.00 H new ATOM 0 HB ILE A 46 2.806 -9.317 -1.714 1.00 0.00 H new ATOM 0 HG12 ILE A 46 1.440 -9.616 -3.703 1.00 0.00 H new ATOM 0 HG13 ILE A 46 0.425 -8.898 -2.468 1.00 0.00 H new ATOM 0 HG21 ILE A 46 1.305 -7.628 -0.671 1.00 0.00 H new ATOM 0 HG22 ILE A 46 3.025 -7.182 -0.572 1.00 0.00 H new ATOM 0 HG23 ILE A 46 1.969 -6.395 -1.769 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -0.012 -7.873 -4.665 1.00 0.00 H new ATOM 0 HD12 ILE A 46 0.666 -6.667 -3.546 1.00 0.00 H new ATOM 0 HD13 ILE A 46 1.697 -7.396 -4.801 1.00 0.00 H new ATOM 687 N PHE A 47 5.731 -6.705 -2.824 1.00 0.00 N ATOM 688 CA PHE A 47 6.950 -6.144 -2.239 1.00 0.00 C ATOM 689 C PHE A 47 6.527 -5.127 -1.170 1.00 0.00 C ATOM 690 O PHE A 47 5.831 -4.156 -1.486 1.00 0.00 O ATOM 691 CB PHE A 47 7.774 -5.520 -3.381 1.00 0.00 C ATOM 692 CG PHE A 47 9.067 -4.789 -3.043 1.00 0.00 C ATOM 693 CD1 PHE A 47 10.202 -5.500 -2.609 1.00 0.00 C ATOM 694 CD2 PHE A 47 9.178 -3.404 -3.281 1.00 0.00 C ATOM 695 CE1 PHE A 47 11.427 -4.830 -2.426 1.00 0.00 C ATOM 696 CE2 PHE A 47 10.410 -2.741 -3.127 1.00 0.00 C ATOM 697 CZ PHE A 47 11.538 -3.454 -2.679 1.00 0.00 C ATOM 0 H PHE A 47 5.430 -6.188 -3.650 1.00 0.00 H new ATOM 0 HA PHE A 47 7.577 -6.892 -1.753 1.00 0.00 H new ATOM 0 HB2 PHE A 47 8.020 -6.317 -4.083 1.00 0.00 H new ATOM 0 HB3 PHE A 47 7.127 -4.819 -3.909 1.00 0.00 H new ATOM 0 HD1 PHE A 47 10.133 -6.560 -2.416 1.00 0.00 H new ATOM 0 HD2 PHE A 47 8.306 -2.844 -3.586 1.00 0.00 H new ATOM 0 HE1 PHE A 47 12.291 -5.382 -2.087 1.00 0.00 H new ATOM 0 HE2 PHE A 47 10.490 -1.688 -3.352 1.00 0.00 H new ATOM 0 HZ PHE A 47 12.480 -2.947 -2.531 1.00 0.00 H new ATOM 707 N PHE A 48 6.870 -5.398 0.091 1.00 0.00 N ATOM 708 CA PHE A 48 6.452 -4.672 1.286 1.00 0.00 C ATOM 709 C PHE A 48 7.363 -3.460 1.490 1.00 0.00 C ATOM 710 O PHE A 48 8.462 -3.613 2.034 1.00 0.00 O ATOM 711 CB PHE A 48 6.530 -5.592 2.524 1.00 0.00 C ATOM 712 CG PHE A 48 5.462 -6.664 2.648 1.00 0.00 C ATOM 713 CD1 PHE A 48 5.383 -7.718 1.720 1.00 0.00 C ATOM 714 CD2 PHE A 48 4.541 -6.613 3.713 1.00 0.00 C ATOM 715 CE1 PHE A 48 4.367 -8.681 1.826 1.00 0.00 C ATOM 716 CE2 PHE A 48 3.526 -7.577 3.823 1.00 0.00 C ATOM 717 CZ PHE A 48 3.436 -8.611 2.877 1.00 0.00 C ATOM 0 H PHE A 48 7.486 -6.180 0.316 1.00 0.00 H new ATOM 0 HA PHE A 48 5.422 -4.340 1.158 1.00 0.00 H new ATOM 0 HB2 PHE A 48 7.504 -6.081 2.523 1.00 0.00 H new ATOM 0 HB3 PHE A 48 6.489 -4.966 3.416 1.00 0.00 H new ATOM 0 HD1 PHE A 48 6.107 -7.787 0.922 1.00 0.00 H new ATOM 0 HD2 PHE A 48 4.616 -5.827 4.450 1.00 0.00 H new ATOM 0 HE1 PHE A 48 4.301 -9.477 1.099 1.00 0.00 H new ATOM 0 HE2 PHE A 48 2.815 -7.523 4.634 1.00 0.00 H new ATOM 0 HZ PHE A 48 2.653 -9.351 2.957 1.00 0.00 H new ATOM 727 N PHE A 49 6.892 -2.278 1.081 1.00 0.00 N ATOM 728 CA PHE A 49 7.652 -1.032 1.037 1.00 0.00 C ATOM 729 C PHE A 49 8.393 -0.736 2.336 1.00 0.00 C ATOM 730 O PHE A 49 7.898 -1.006 3.437 1.00 0.00 O ATOM 731 CB PHE A 49 6.763 0.141 0.597 1.00 0.00 C ATOM 732 CG PHE A 49 6.833 0.409 -0.893 1.00 0.00 C ATOM 733 CD1 PHE A 49 8.088 0.644 -1.480 1.00 0.00 C ATOM 734 CD2 PHE A 49 5.681 0.468 -1.697 1.00 0.00 C ATOM 735 CE1 PHE A 49 8.208 0.950 -2.840 1.00 0.00 C ATOM 736 CE2 PHE A 49 5.799 0.805 -3.053 1.00 0.00 C ATOM 737 CZ PHE A 49 7.057 1.012 -3.640 1.00 0.00 C ATOM 0 H PHE A 49 5.931 -2.162 0.759 1.00 0.00 H new ATOM 0 HA PHE A 49 8.428 -1.164 0.283 1.00 0.00 H new ATOM 0 HB2 PHE A 49 5.730 -0.069 0.875 1.00 0.00 H new ATOM 0 HB3 PHE A 49 7.062 1.039 1.137 1.00 0.00 H new ATOM 0 HD1 PHE A 49 8.977 0.587 -0.870 1.00 0.00 H new ATOM 0 HD2 PHE A 49 4.711 0.255 -1.273 1.00 0.00 H new ATOM 0 HE1 PHE A 49 9.180 1.137 -3.271 1.00 0.00 H new ATOM 0 HE2 PHE A 49 4.908 0.907 -3.655 1.00 0.00 H new ATOM 0 HZ PHE A 49 7.138 1.217 -4.697 1.00 0.00 H new ATOM 747 N GLY A 50 9.589 -0.159 2.209 1.00 0.00 N ATOM 748 CA GLY A 50 10.542 0.031 3.283 1.00 0.00 C ATOM 749 C GLY A 50 11.209 -1.288 3.677 1.00 0.00 C ATOM 750 O GLY A 50 12.437 -1.398 3.649 1.00 0.00 O ATOM 0 H GLY A 50 9.926 0.200 1.316 1.00 0.00 H new ATOM 0 HA2 GLY A 50 11.303 0.747 2.974 1.00 0.00 H new ATOM 0 HA3 GLY A 50 10.036 0.458 4.149 1.00 0.00 H new ATOM 754 N THR A 51 10.434 -2.291 4.079 1.00 0.00 N ATOM 755 CA THR A 51 10.937 -3.565 4.574 1.00 0.00 C ATOM 756 C THR A 51 11.605 -4.413 3.482 1.00 0.00 C ATOM 757 O THR A 51 12.401 -5.292 3.809 1.00 0.00 O ATOM 758 CB THR A 51 9.795 -4.308 5.296 1.00 0.00 C ATOM 759 OG1 THR A 51 8.515 -3.977 4.782 1.00 0.00 O ATOM 760 CG2 THR A 51 9.799 -3.938 6.785 1.00 0.00 C ATOM 0 H THR A 51 9.415 -2.238 4.069 1.00 0.00 H new ATOM 0 HA THR A 51 11.736 -3.369 5.289 1.00 0.00 H new ATOM 0 HB THR A 51 9.972 -5.372 5.140 1.00 0.00 H new ATOM 0 HG1 THR A 51 8.547 -3.972 3.803 1.00 0.00 H new ATOM 0 HG21 THR A 51 8.991 -4.464 7.293 1.00 0.00 H new ATOM 0 HG22 THR A 51 10.753 -4.223 7.228 1.00 0.00 H new ATOM 0 HG23 THR A 51 9.656 -2.863 6.893 1.00 0.00 H new ATOM 768 N HIS A 52 11.301 -4.169 2.201 1.00 0.00 N ATOM 769 CA HIS A 52 11.785 -4.894 1.026 1.00 0.00 C ATOM 770 C HIS A 52 11.467 -6.395 1.032 1.00 0.00 C ATOM 771 O HIS A 52 11.846 -7.094 0.089 1.00 0.00 O ATOM 772 CB HIS A 52 13.268 -4.588 0.747 1.00 0.00 C ATOM 773 CG HIS A 52 13.594 -3.185 0.284 1.00 0.00 C ATOM 774 ND1 HIS A 52 14.739 -2.847 -0.400 1.00 0.00 N ATOM 775 CD2 HIS A 52 12.881 -2.030 0.479 1.00 0.00 C ATOM 776 CE1 HIS A 52 14.719 -1.526 -0.618 1.00 0.00 C ATOM 777 NE2 HIS A 52 13.595 -0.987 -0.114 1.00 0.00 N ATOM 0 H HIS A 52 10.669 -3.410 1.944 1.00 0.00 H new ATOM 0 HA HIS A 52 11.212 -4.511 0.182 1.00 0.00 H new ATOM 0 HB2 HIS A 52 13.834 -4.787 1.657 1.00 0.00 H new ATOM 0 HB3 HIS A 52 13.624 -5.288 -0.009 1.00 0.00 H new ATOM 0 HD2 HIS A 52 11.938 -1.943 0.998 1.00 0.00 H new ATOM 0 HE1 HIS A 52 15.495 -0.973 -1.126 1.00 0.00 H new ATOM 0 HE2 HIS A 52 13.318 -0.006 -0.157 1.00 0.00 H new ATOM 785 N GLU A 53 10.743 -6.887 2.041 1.00 0.00 N ATOM 786 CA GLU A 53 10.259 -8.252 2.071 1.00 0.00 C ATOM 787 C GLU A 53 9.258 -8.461 0.935 1.00 0.00 C ATOM 788 O GLU A 53 8.732 -7.518 0.338 1.00 0.00 O ATOM 789 CB GLU A 53 9.620 -8.588 3.428 1.00 0.00 C ATOM 790 CG GLU A 53 10.633 -8.499 4.582 1.00 0.00 C ATOM 791 CD GLU A 53 10.280 -9.423 5.748 1.00 0.00 C ATOM 792 OE1 GLU A 53 9.080 -9.541 6.120 1.00 0.00 O ATOM 793 OE2 GLU A 53 11.222 -10.033 6.300 1.00 0.00 O ATOM 0 H GLU A 53 10.480 -6.339 2.860 1.00 0.00 H new ATOM 0 HA GLU A 53 11.105 -8.926 1.934 1.00 0.00 H new ATOM 0 HB2 GLU A 53 8.793 -7.904 3.618 1.00 0.00 H new ATOM 0 HB3 GLU A 53 9.200 -9.593 3.392 1.00 0.00 H new ATOM 0 HG2 GLU A 53 11.625 -8.753 4.210 1.00 0.00 H new ATOM 0 HG3 GLU A 53 10.681 -7.471 4.940 1.00 0.00 H new ATOM 800 N THR A 54 8.985 -9.723 0.654 1.00 0.00 N ATOM 801 CA THR A 54 8.296 -10.182 -0.528 1.00 0.00 C ATOM 802 C THR A 54 7.380 -11.321 -0.101 1.00 0.00 C ATOM 803 O THR A 54 7.797 -12.183 0.679 1.00 0.00 O ATOM 804 CB THR A 54 9.360 -10.619 -1.555 1.00 0.00 C ATOM 805 OG1 THR A 54 10.379 -11.433 -0.988 1.00 0.00 O ATOM 806 CG2 THR A 54 10.041 -9.417 -2.207 1.00 0.00 C ATOM 0 H THR A 54 9.252 -10.487 1.275 1.00 0.00 H new ATOM 0 HA THR A 54 7.684 -9.411 -0.997 1.00 0.00 H new ATOM 0 HB THR A 54 8.811 -11.198 -2.297 1.00 0.00 H new ATOM 0 HG1 THR A 54 11.024 -11.681 -1.683 1.00 0.00 H new ATOM 0 HG21 THR A 54 10.784 -9.765 -2.924 1.00 0.00 H new ATOM 0 HG22 THR A 54 9.295 -8.811 -2.722 1.00 0.00 H new ATOM 0 HG23 THR A 54 10.530 -8.816 -1.440 1.00 0.00 H new ATOM 814 N ALA A 55 6.140 -11.344 -0.584 1.00 0.00 N ATOM 815 CA ALA A 55 5.302 -12.523 -0.454 1.00 0.00 C ATOM 816 C ALA A 55 4.390 -12.627 -1.660 1.00 0.00 C ATOM 817 O ALA A 55 3.967 -11.613 -2.221 1.00 0.00 O ATOM 818 CB ALA A 55 4.478 -12.466 0.836 1.00 0.00 C ATOM 0 H ALA A 55 5.699 -10.561 -1.066 1.00 0.00 H new ATOM 0 HA ALA A 55 5.939 -13.406 -0.405 1.00 0.00 H new ATOM 0 HB1 ALA A 55 3.858 -13.359 0.912 1.00 0.00 H new ATOM 0 HB2 ALA A 55 5.148 -12.416 1.694 1.00 0.00 H new ATOM 0 HB3 ALA A 55 3.840 -11.582 0.822 1.00 0.00 H new ATOM 824 N PHE A 56 4.025 -13.859 -2.000 1.00 0.00 N ATOM 825 CA PHE A 56 3.033 -14.124 -3.018 1.00 0.00 C ATOM 826 C PHE A 56 1.684 -14.151 -2.321 1.00 0.00 C ATOM 827 O PHE A 56 1.399 -15.100 -1.585 1.00 0.00 O ATOM 828 CB PHE A 56 3.367 -15.418 -3.769 1.00 0.00 C ATOM 829 CG PHE A 56 4.705 -15.316 -4.479 1.00 0.00 C ATOM 830 CD1 PHE A 56 4.851 -14.433 -5.567 1.00 0.00 C ATOM 831 CD2 PHE A 56 5.831 -15.998 -3.976 1.00 0.00 C ATOM 832 CE1 PHE A 56 6.124 -14.189 -6.110 1.00 0.00 C ATOM 833 CE2 PHE A 56 7.104 -15.752 -4.521 1.00 0.00 C ATOM 834 CZ PHE A 56 7.255 -14.819 -5.560 1.00 0.00 C ATOM 0 H PHE A 56 4.414 -14.699 -1.572 1.00 0.00 H new ATOM 0 HA PHE A 56 3.015 -13.350 -3.786 1.00 0.00 H new ATOM 0 HB2 PHE A 56 3.388 -16.252 -3.068 1.00 0.00 H new ATOM 0 HB3 PHE A 56 2.583 -15.632 -4.496 1.00 0.00 H new ATOM 0 HD1 PHE A 56 3.984 -13.943 -5.984 1.00 0.00 H new ATOM 0 HD2 PHE A 56 5.716 -16.710 -3.172 1.00 0.00 H new ATOM 0 HE1 PHE A 56 6.234 -13.518 -6.949 1.00 0.00 H new ATOM 0 HE2 PHE A 56 7.966 -16.281 -4.141 1.00 0.00 H new ATOM 0 HZ PHE A 56 8.240 -14.585 -5.937 1.00 0.00 H new ATOM 844 N LEU A 57 0.851 -13.127 -2.512 1.00 0.00 N ATOM 845 CA LEU A 57 -0.478 -13.042 -1.906 1.00 0.00 C ATOM 846 C LEU A 57 -1.505 -12.739 -2.999 1.00 0.00 C ATOM 847 O LEU A 57 -1.175 -12.108 -4.002 1.00 0.00 O ATOM 848 CB LEU A 57 -0.538 -11.973 -0.808 1.00 0.00 C ATOM 849 CG LEU A 57 0.434 -12.092 0.384 1.00 0.00 C ATOM 850 CD1 LEU A 57 0.923 -10.720 0.849 1.00 0.00 C ATOM 851 CD2 LEU A 57 -0.283 -12.724 1.576 1.00 0.00 C ATOM 0 H LEU A 57 1.083 -12.325 -3.098 1.00 0.00 H new ATOM 0 HA LEU A 57 -0.704 -13.998 -1.435 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -0.370 -11.004 -1.278 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -1.553 -11.962 -0.410 1.00 0.00 H new ATOM 0 HG LEU A 57 1.276 -12.697 0.048 1.00 0.00 H new ATOM 0 HD11 LEU A 57 1.606 -10.843 1.690 1.00 0.00 H new ATOM 0 HD12 LEU A 57 1.442 -10.222 0.030 1.00 0.00 H new ATOM 0 HD13 LEU A 57 0.070 -10.116 1.159 1.00 0.00 H new ATOM 0 HD21 LEU A 57 0.408 -12.806 2.415 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -1.130 -12.101 1.863 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -0.639 -13.717 1.302 1.00 0.00 H new ATOM 863 N GLY A 58 -2.751 -13.187 -2.827 1.00 0.00 N ATOM 864 CA GLY A 58 -3.846 -12.995 -3.775 1.00 0.00 C ATOM 865 C GLY A 58 -4.784 -11.855 -3.373 1.00 0.00 C ATOM 866 O GLY A 58 -4.701 -11.362 -2.240 1.00 0.00 O ATOM 0 H GLY A 58 -3.032 -13.710 -1.997 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -3.434 -12.789 -4.763 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -4.418 -13.919 -3.855 1.00 0.00 H new ATOM 870 N PRO A 59 -5.692 -11.440 -4.273 1.00 0.00 N ATOM 871 CA PRO A 59 -6.382 -10.157 -4.183 1.00 0.00 C ATOM 872 C PRO A 59 -7.364 -10.062 -3.016 1.00 0.00 C ATOM 873 O PRO A 59 -7.589 -8.958 -2.534 1.00 0.00 O ATOM 874 CB PRO A 59 -7.082 -9.947 -5.529 1.00 0.00 C ATOM 875 CG PRO A 59 -7.178 -11.339 -6.146 1.00 0.00 C ATOM 876 CD PRO A 59 -6.038 -12.138 -5.504 1.00 0.00 C ATOM 0 HA PRO A 59 -5.656 -9.370 -3.978 1.00 0.00 H new ATOM 0 HB2 PRO A 59 -8.070 -9.506 -5.396 1.00 0.00 H new ATOM 0 HB3 PRO A 59 -6.514 -9.271 -6.168 1.00 0.00 H new ATOM 0 HG2 PRO A 59 -8.146 -11.796 -5.939 1.00 0.00 H new ATOM 0 HG3 PRO A 59 -7.070 -11.298 -7.230 1.00 0.00 H new ATOM 0 HD2 PRO A 59 -6.350 -13.162 -5.296 1.00 0.00 H new ATOM 0 HD3 PRO A 59 -5.179 -12.196 -6.173 1.00 0.00 H new ATOM 884 N LYS A 60 -7.885 -11.179 -2.492 1.00 0.00 N ATOM 885 CA LYS A 60 -8.748 -11.170 -1.306 1.00 0.00 C ATOM 886 C LYS A 60 -8.089 -10.528 -0.082 1.00 0.00 C ATOM 887 O LYS A 60 -8.796 -10.181 0.859 1.00 0.00 O ATOM 888 CB LYS A 60 -9.214 -12.594 -0.951 1.00 0.00 C ATOM 889 CG LYS A 60 -8.049 -13.519 -0.555 1.00 0.00 C ATOM 890 CD LYS A 60 -8.539 -14.840 0.042 1.00 0.00 C ATOM 891 CE LYS A 60 -7.400 -15.451 0.868 1.00 0.00 C ATOM 892 NZ LYS A 60 -7.897 -16.450 1.832 1.00 0.00 N ATOM 0 H LYS A 60 -7.721 -12.109 -2.877 1.00 0.00 H new ATOM 0 HA LYS A 60 -9.608 -10.555 -1.572 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -9.928 -12.544 -0.129 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -9.739 -13.023 -1.804 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -7.435 -13.724 -1.432 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -7.412 -13.009 0.168 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -9.414 -14.671 0.670 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -8.842 -15.525 -0.750 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -6.677 -15.919 0.200 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -6.874 -14.660 1.403 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -7.098 -16.840 2.371 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -8.568 -15.998 2.486 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -8.377 -17.218 1.320 1.00 0.00 H new ATOM 906 N ASP A 61 -6.763 -10.410 -0.061 1.00 0.00 N ATOM 907 CA ASP A 61 -6.002 -9.896 1.075 1.00 0.00 C ATOM 908 C ASP A 61 -5.415 -8.513 0.719 1.00 0.00 C ATOM 909 O ASP A 61 -4.614 -7.979 1.489 1.00 0.00 O ATOM 910 CB ASP A 61 -4.938 -10.942 1.492 1.00 0.00 C ATOM 911 CG ASP A 61 -5.502 -12.268 2.034 1.00 0.00 C ATOM 912 OD1 ASP A 61 -6.465 -12.313 2.828 1.00 0.00 O ATOM 913 OD2 ASP A 61 -4.950 -13.323 1.647 1.00 0.00 O ATOM 0 H ASP A 61 -6.175 -10.675 -0.851 1.00 0.00 H new ATOM 0 HA ASP A 61 -6.643 -9.742 1.943 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -4.307 -11.159 0.630 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -4.296 -10.500 2.254 1.00 0.00 H new ATOM 918 N LEU A 62 -5.778 -7.935 -0.441 1.00 0.00 N ATOM 919 CA LEU A 62 -5.330 -6.631 -0.941 1.00 0.00 C ATOM 920 C LEU A 62 -6.504 -5.659 -1.002 1.00 0.00 C ATOM 921 O LEU A 62 -7.670 -6.056 -0.952 1.00 0.00 O ATOM 922 CB LEU A 62 -4.743 -6.741 -2.367 1.00 0.00 C ATOM 923 CG LEU A 62 -3.464 -7.567 -2.519 1.00 0.00 C ATOM 924 CD1 LEU A 62 -2.927 -7.500 -3.948 1.00 0.00 C ATOM 925 CD2 LEU A 62 -2.351 -7.139 -1.551 1.00 0.00 C ATOM 0 H LEU A 62 -6.425 -8.392 -1.084 1.00 0.00 H new ATOM 0 HA LEU A 62 -4.562 -6.274 -0.255 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -5.505 -7.170 -3.017 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -4.543 -5.734 -2.732 1.00 0.00 H new ATOM 0 HG LEU A 62 -3.749 -8.590 -2.275 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -2.018 -8.097 -4.023 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -3.676 -7.891 -4.637 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -2.703 -6.464 -4.204 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -1.471 -7.763 -1.709 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -2.093 -6.096 -1.732 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -2.698 -7.254 -0.524 1.00 0.00 H new ATOM 937 N PHE A 63 -6.162 -4.381 -1.164 1.00 0.00 N ATOM 938 CA PHE A 63 -7.069 -3.270 -1.386 1.00 0.00 C ATOM 939 C PHE A 63 -6.317 -2.247 -2.270 1.00 0.00 C ATOM 940 O PHE A 63 -5.083 -2.200 -2.209 1.00 0.00 O ATOM 941 CB PHE A 63 -7.428 -2.651 -0.027 1.00 0.00 C ATOM 942 CG PHE A 63 -8.089 -3.550 1.002 1.00 0.00 C ATOM 943 CD1 PHE A 63 -7.291 -4.396 1.797 1.00 0.00 C ATOM 944 CD2 PHE A 63 -9.469 -3.460 1.256 1.00 0.00 C ATOM 945 CE1 PHE A 63 -7.857 -5.169 2.823 1.00 0.00 C ATOM 946 CE2 PHE A 63 -10.038 -4.213 2.298 1.00 0.00 C ATOM 947 CZ PHE A 63 -9.235 -5.068 3.076 1.00 0.00 C ATOM 0 H PHE A 63 -5.187 -4.083 -1.141 1.00 0.00 H new ATOM 0 HA PHE A 63 -7.991 -3.584 -1.876 1.00 0.00 H new ATOM 0 HB2 PHE A 63 -6.514 -2.253 0.413 1.00 0.00 H new ATOM 0 HB3 PHE A 63 -8.090 -1.804 -0.208 1.00 0.00 H new ATOM 0 HD1 PHE A 63 -6.228 -4.451 1.614 1.00 0.00 H new ATOM 0 HD2 PHE A 63 -10.090 -2.814 0.653 1.00 0.00 H new ATOM 0 HE1 PHE A 63 -7.241 -5.833 3.411 1.00 0.00 H new ATOM 0 HE2 PHE A 63 -11.096 -4.135 2.502 1.00 0.00 H new ATOM 0 HZ PHE A 63 -9.680 -5.649 3.871 1.00 0.00 H new ATOM 957 N PRO A 64 -6.996 -1.395 -3.060 1.00 0.00 N ATOM 958 CA PRO A 64 -6.347 -0.358 -3.861 1.00 0.00 C ATOM 959 C PRO A 64 -5.776 0.752 -2.971 1.00 0.00 C ATOM 960 O PRO A 64 -6.499 1.320 -2.147 1.00 0.00 O ATOM 961 CB PRO A 64 -7.413 0.192 -4.815 1.00 0.00 C ATOM 962 CG PRO A 64 -8.746 -0.402 -4.364 1.00 0.00 C ATOM 963 CD PRO A 64 -8.436 -1.379 -3.234 1.00 0.00 C ATOM 0 HA PRO A 64 -5.504 -0.769 -4.417 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -7.441 1.281 -4.779 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -7.193 -0.087 -5.845 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -9.422 0.382 -4.022 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -9.241 -0.912 -5.191 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -8.931 -1.071 -2.313 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -8.805 -2.376 -3.476 1.00 0.00 H new ATOM 971 N TYR A 65 -4.494 1.092 -3.125 1.00 0.00 N ATOM 972 CA TYR A 65 -3.829 2.173 -2.392 1.00 0.00 C ATOM 973 C TYR A 65 -4.567 3.493 -2.565 1.00 0.00 C ATOM 974 O TYR A 65 -4.933 4.132 -1.583 1.00 0.00 O ATOM 975 CB TYR A 65 -2.399 2.309 -2.914 1.00 0.00 C ATOM 976 CG TYR A 65 -1.657 3.535 -2.436 1.00 0.00 C ATOM 977 CD1 TYR A 65 -1.103 3.553 -1.145 1.00 0.00 C ATOM 978 CD2 TYR A 65 -1.538 4.662 -3.275 1.00 0.00 C ATOM 979 CE1 TYR A 65 -0.442 4.701 -0.680 1.00 0.00 C ATOM 980 CE2 TYR A 65 -0.875 5.811 -2.814 1.00 0.00 C ATOM 981 CZ TYR A 65 -0.329 5.837 -1.511 1.00 0.00 C ATOM 982 OH TYR A 65 0.281 6.964 -1.060 1.00 0.00 O ATOM 0 H TYR A 65 -3.875 0.612 -3.778 1.00 0.00 H new ATOM 0 HA TYR A 65 -3.826 1.930 -1.329 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -1.835 1.424 -2.619 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -2.426 2.321 -4.004 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -1.186 2.683 -0.510 1.00 0.00 H new ATOM 0 HD2 TYR A 65 -1.956 4.642 -4.271 1.00 0.00 H new ATOM 0 HE1 TYR A 65 -0.020 4.715 0.314 1.00 0.00 H new ATOM 0 HE2 TYR A 65 -0.782 6.675 -3.456 1.00 0.00 H new ATOM 0 HH TYR A 65 0.270 7.646 -1.764 1.00 0.00 H new ATOM 992 N LYS A 66 -4.805 3.898 -3.815 1.00 0.00 N ATOM 993 CA LYS A 66 -5.365 5.207 -4.153 1.00 0.00 C ATOM 994 C LYS A 66 -6.741 5.424 -3.509 1.00 0.00 C ATOM 995 O LYS A 66 -7.151 6.568 -3.328 1.00 0.00 O ATOM 996 CB LYS A 66 -5.390 5.326 -5.693 1.00 0.00 C ATOM 997 CG LYS A 66 -4.747 6.593 -6.278 1.00 0.00 C ATOM 998 CD LYS A 66 -5.699 7.796 -6.390 1.00 0.00 C ATOM 999 CE LYS A 66 -5.733 8.473 -7.777 1.00 0.00 C ATOM 1000 NZ LYS A 66 -4.410 8.937 -8.250 1.00 0.00 N ATOM 0 H LYS A 66 -4.611 3.317 -4.631 1.00 0.00 H new ATOM 0 HA LYS A 66 -4.741 6.003 -3.746 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -4.883 4.457 -6.114 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -6.427 5.282 -6.025 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -3.897 6.875 -5.656 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -4.355 6.362 -7.268 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -6.707 7.467 -6.138 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -5.411 8.539 -5.646 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -6.142 7.771 -8.503 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -6.413 9.324 -7.739 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -4.523 9.454 -9.145 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -3.988 9.566 -7.538 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -3.788 8.117 -8.400 1.00 0.00 H new ATOM 1014 N GLU A 67 -7.448 4.352 -3.140 1.00 0.00 N ATOM 1015 CA GLU A 67 -8.634 4.377 -2.290 1.00 0.00 C ATOM 1016 C GLU A 67 -8.203 4.641 -0.833 1.00 0.00 C ATOM 1017 O GLU A 67 -8.405 5.752 -0.335 1.00 0.00 O ATOM 1018 CB GLU A 67 -9.443 3.067 -2.471 1.00 0.00 C ATOM 1019 CG GLU A 67 -10.775 3.231 -3.241 1.00 0.00 C ATOM 1020 CD GLU A 67 -12.051 2.690 -2.562 1.00 0.00 C ATOM 1021 OE1 GLU A 67 -12.030 2.274 -1.380 1.00 0.00 O ATOM 1022 OE2 GLU A 67 -13.130 2.691 -3.206 1.00 0.00 O ATOM 0 H GLU A 67 -7.198 3.409 -3.438 1.00 0.00 H new ATOM 0 HA GLU A 67 -9.303 5.188 -2.578 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -8.822 2.342 -2.997 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -9.657 2.649 -1.487 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -10.922 4.293 -3.440 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -10.670 2.737 -4.207 1.00 0.00 H new ATOM 1029 N TYR A 68 -7.562 3.676 -0.158 1.00 0.00 N ATOM 1030 CA TYR A 68 -7.331 3.662 1.297 1.00 0.00 C ATOM 1031 C TYR A 68 -6.131 4.515 1.737 1.00 0.00 C ATOM 1032 O TYR A 68 -5.646 4.365 2.862 1.00 0.00 O ATOM 1033 CB TYR A 68 -7.206 2.226 1.811 1.00 0.00 C ATOM 1034 CG TYR A 68 -8.465 1.388 1.659 1.00 0.00 C ATOM 1035 CD1 TYR A 68 -8.827 0.886 0.395 1.00 0.00 C ATOM 1036 CD2 TYR A 68 -9.293 1.134 2.773 1.00 0.00 C ATOM 1037 CE1 TYR A 68 -10.044 0.212 0.215 1.00 0.00 C ATOM 1038 CE2 TYR A 68 -10.492 0.417 2.612 1.00 0.00 C ATOM 1039 CZ TYR A 68 -10.890 -0.001 1.323 1.00 0.00 C ATOM 1040 OH TYR A 68 -12.106 -0.575 1.137 1.00 0.00 O ATOM 0 H TYR A 68 -7.176 2.855 -0.624 1.00 0.00 H new ATOM 0 HA TYR A 68 -8.207 4.126 1.750 1.00 0.00 H new ATOM 0 HB2 TYR A 68 -6.391 1.734 1.280 1.00 0.00 H new ATOM 0 HB3 TYR A 68 -6.929 2.254 2.865 1.00 0.00 H new ATOM 0 HD1 TYR A 68 -8.161 1.021 -0.445 1.00 0.00 H new ATOM 0 HD2 TYR A 68 -9.005 1.491 3.751 1.00 0.00 H new ATOM 0 HE1 TYR A 68 -10.331 -0.141 -0.765 1.00 0.00 H new ATOM 0 HE2 TYR A 68 -11.106 0.187 3.470 1.00 0.00 H new ATOM 0 HH TYR A 68 -12.566 -0.653 1.999 1.00 0.00 H new ATOM 1050 N LYS A 69 -5.636 5.406 0.874 1.00 0.00 N ATOM 1051 CA LYS A 69 -4.490 6.273 1.106 1.00 0.00 C ATOM 1052 C LYS A 69 -4.629 7.074 2.406 1.00 0.00 C ATOM 1053 O LYS A 69 -3.615 7.346 3.044 1.00 0.00 O ATOM 1054 CB LYS A 69 -4.288 7.128 -0.164 1.00 0.00 C ATOM 1055 CG LYS A 69 -3.557 8.456 0.062 1.00 0.00 C ATOM 1056 CD LYS A 69 -3.072 9.069 -1.259 1.00 0.00 C ATOM 1057 CE LYS A 69 -2.484 10.478 -1.080 1.00 0.00 C ATOM 1058 NZ LYS A 69 -3.524 11.528 -1.082 1.00 0.00 N ATOM 0 H LYS A 69 -6.047 5.545 -0.049 1.00 0.00 H new ATOM 0 HA LYS A 69 -3.583 5.690 1.268 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -3.729 6.542 -0.894 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -5.264 7.337 -0.603 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -4.223 9.157 0.566 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -2.705 8.295 0.723 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -2.317 8.418 -1.701 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -3.905 9.114 -1.961 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -1.930 10.521 -0.142 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -1.771 10.675 -1.880 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -3.077 12.459 -0.958 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -4.037 11.507 -1.987 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -4.191 11.358 -0.302 1.00 0.00 H new ATOM 1072 N ASP A 70 -5.848 7.388 2.848 1.00 0.00 N ATOM 1073 CA ASP A 70 -6.086 8.054 4.130 1.00 0.00 C ATOM 1074 C ASP A 70 -6.688 7.099 5.157 1.00 0.00 C ATOM 1075 O ASP A 70 -6.395 7.238 6.347 1.00 0.00 O ATOM 1076 CB ASP A 70 -7.016 9.254 3.930 1.00 0.00 C ATOM 1077 CG ASP A 70 -6.243 10.553 3.734 1.00 0.00 C ATOM 1078 OD1 ASP A 70 -5.616 10.735 2.668 1.00 0.00 O ATOM 1079 OD2 ASP A 70 -6.319 11.437 4.618 1.00 0.00 O ATOM 0 H ASP A 70 -6.701 7.187 2.325 1.00 0.00 H new ATOM 0 HA ASP A 70 -5.124 8.395 4.512 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -7.653 9.078 3.063 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -7.673 9.351 4.794 1.00 0.00 H new ATOM 1084 N LYS A 71 -7.541 6.157 4.731 1.00 0.00 N ATOM 1085 CA LYS A 71 -8.199 5.182 5.607 1.00 0.00 C ATOM 1086 C LYS A 71 -7.134 4.334 6.295 1.00 0.00 C ATOM 1087 O LYS A 71 -7.050 4.306 7.526 1.00 0.00 O ATOM 1088 CB LYS A 71 -9.202 4.337 4.784 1.00 0.00 C ATOM 1089 CG LYS A 71 -10.398 3.714 5.539 1.00 0.00 C ATOM 1090 CD LYS A 71 -10.087 2.699 6.649 1.00 0.00 C ATOM 1091 CE LYS A 71 -11.405 2.195 7.278 1.00 0.00 C ATOM 1092 NZ LYS A 71 -11.269 1.737 8.684 1.00 0.00 N ATOM 0 H LYS A 71 -7.797 6.051 3.749 1.00 0.00 H new ATOM 0 HA LYS A 71 -8.773 5.684 6.386 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -9.598 4.967 3.987 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -8.648 3.529 4.306 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -10.977 4.526 5.979 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -11.040 3.225 4.806 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -9.524 1.860 6.240 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -9.462 3.161 7.413 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -12.144 2.995 7.238 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -11.792 1.373 6.675 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -12.193 1.415 9.035 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -10.589 0.952 8.729 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -10.930 2.523 9.274 1.00 0.00 H new ATOM 1106 N PHE A 72 -6.337 3.616 5.509 1.00 0.00 N ATOM 1107 CA PHE A 72 -5.269 2.767 5.998 1.00 0.00 C ATOM 1108 C PHE A 72 -4.012 3.593 6.203 1.00 0.00 C ATOM 1109 O PHE A 72 -3.447 3.524 7.295 1.00 0.00 O ATOM 1110 CB PHE A 72 -5.023 1.608 5.028 1.00 0.00 C ATOM 1111 CG PHE A 72 -6.152 0.605 4.872 1.00 0.00 C ATOM 1112 CD1 PHE A 72 -7.156 0.437 5.850 1.00 0.00 C ATOM 1113 CD2 PHE A 72 -6.191 -0.177 3.707 1.00 0.00 C ATOM 1114 CE1 PHE A 72 -8.181 -0.506 5.659 1.00 0.00 C ATOM 1115 CE2 PHE A 72 -7.182 -1.156 3.546 1.00 0.00 C ATOM 1116 CZ PHE A 72 -8.179 -1.325 4.518 1.00 0.00 C ATOM 0 H PHE A 72 -6.422 3.612 4.493 1.00 0.00 H new ATOM 0 HA PHE A 72 -5.558 2.339 6.958 1.00 0.00 H new ATOM 0 HB2 PHE A 72 -4.800 2.026 4.046 1.00 0.00 H new ATOM 0 HB3 PHE A 72 -4.133 1.071 5.356 1.00 0.00 H new ATOM 0 HD1 PHE A 72 -7.137 1.035 6.749 1.00 0.00 H new ATOM 0 HD2 PHE A 72 -5.455 -0.024 2.932 1.00 0.00 H new ATOM 0 HE1 PHE A 72 -8.970 -0.601 6.390 1.00 0.00 H new ATOM 0 HE2 PHE A 72 -7.178 -1.784 2.668 1.00 0.00 H new ATOM 0 HZ PHE A 72 -8.940 -2.080 4.390 1.00 0.00 H new ATOM 1126 N GLY A 73 -3.603 4.344 5.173 1.00 0.00 N ATOM 1127 CA GLY A 73 -2.327 5.035 5.067 1.00 0.00 C ATOM 1128 C GLY A 73 -2.140 6.052 6.181 1.00 0.00 C ATOM 1129 O GLY A 73 -2.521 7.215 6.049 1.00 0.00 O ATOM 0 H GLY A 73 -4.190 4.489 4.351 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -1.516 4.307 5.100 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -2.265 5.538 4.102 1.00 0.00 H new ATOM 1133 N LYS A 74 -1.588 5.585 7.297 1.00 0.00 N ATOM 1134 CA LYS A 74 -1.413 6.312 8.542 1.00 0.00 C ATOM 1135 C LYS A 74 -0.206 5.761 9.265 1.00 0.00 C ATOM 1136 O LYS A 74 0.126 4.582 9.100 1.00 0.00 O ATOM 1137 CB LYS A 74 -2.606 6.084 9.469 1.00 0.00 C ATOM 1138 CG LYS A 74 -3.922 6.671 8.966 1.00 0.00 C ATOM 1139 CD LYS A 74 -4.898 6.610 10.142 1.00 0.00 C ATOM 1140 CE LYS A 74 -6.206 7.305 9.779 1.00 0.00 C ATOM 1141 NZ LYS A 74 -6.112 8.767 9.923 1.00 0.00 N ATOM 0 H LYS A 74 -1.231 4.631 7.356 1.00 0.00 H new ATOM 0 HA LYS A 74 -1.306 7.370 8.304 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -2.735 5.012 9.617 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -2.380 6.516 10.444 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -3.785 7.698 8.627 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -4.301 6.103 8.116 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -5.092 5.571 10.409 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -4.455 7.087 11.016 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -6.475 7.058 8.752 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -7.006 6.929 10.417 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -7.022 9.200 9.667 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -5.881 9.005 10.909 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -5.366 9.130 9.296 1.00 0.00 H new ATOM 1155 N SER A 75 0.351 6.560 10.169 1.00 0.00 N ATOM 1156 CA SER A 75 1.514 6.210 10.937 1.00 0.00 C ATOM 1157 C SER A 75 1.211 4.963 11.752 1.00 0.00 C ATOM 1158 O SER A 75 0.071 4.678 12.148 1.00 0.00 O ATOM 1159 CB SER A 75 1.947 7.367 11.843 1.00 0.00 C ATOM 1160 OG SER A 75 1.949 8.594 11.136 1.00 0.00 O ATOM 0 H SER A 75 -0.012 7.489 10.384 1.00 0.00 H new ATOM 0 HA SER A 75 2.343 6.006 10.260 1.00 0.00 H new ATOM 0 HB2 SER A 75 1.273 7.437 12.697 1.00 0.00 H new ATOM 0 HB3 SER A 75 2.943 7.170 12.239 1.00 0.00 H new ATOM 0 HG SER A 75 2.227 9.317 11.736 1.00 0.00 H new ATOM 1166 N ASN A 76 2.267 4.219 11.996 1.00 0.00 N ATOM 1167 CA ASN A 76 2.258 2.994 12.774 1.00 0.00 C ATOM 1168 C ASN A 76 3.489 2.947 13.667 1.00 0.00 C ATOM 1169 O ASN A 76 4.541 3.465 13.291 1.00 0.00 O ATOM 1170 CB ASN A 76 2.249 1.787 11.834 1.00 0.00 C ATOM 1171 CG ASN A 76 1.657 0.605 12.563 1.00 0.00 C ATOM 1172 OD1 ASN A 76 2.341 -0.061 13.332 1.00 0.00 O ATOM 1173 ND2 ASN A 76 0.363 0.387 12.403 1.00 0.00 N ATOM 0 H ASN A 76 3.194 4.458 11.645 1.00 0.00 H new ATOM 0 HA ASN A 76 1.364 2.967 13.397 1.00 0.00 H new ATOM 0 HB2 ASN A 76 1.666 2.009 10.940 1.00 0.00 H new ATOM 0 HB3 ASN A 76 3.262 1.558 11.505 1.00 0.00 H new ATOM 0 HD21 ASN A 76 -0.098 -0.356 12.929 1.00 0.00 H new ATOM 0 HD22 ASN A 76 -0.175 0.962 11.754 1.00 0.00 H new ATOM 1180 N LYS A 77 3.391 2.300 14.829 1.00 0.00 N ATOM 1181 CA LYS A 77 4.505 2.212 15.770 1.00 0.00 C ATOM 1182 C LYS A 77 5.437 1.039 15.454 1.00 0.00 C ATOM 1183 O LYS A 77 6.565 1.014 15.957 1.00 0.00 O ATOM 1184 CB LYS A 77 3.938 2.186 17.196 1.00 0.00 C ATOM 1185 CG LYS A 77 4.960 2.593 18.269 1.00 0.00 C ATOM 1186 CD LYS A 77 5.577 1.422 19.035 1.00 0.00 C ATOM 1187 CE LYS A 77 4.567 0.827 20.019 1.00 0.00 C ATOM 1188 NZ LYS A 77 5.164 -0.297 20.755 1.00 0.00 N ATOM 0 H LYS A 77 2.544 1.826 15.142 1.00 0.00 H new ATOM 0 HA LYS A 77 5.142 3.092 15.674 1.00 0.00 H new ATOM 0 HB2 LYS A 77 3.080 2.856 17.250 1.00 0.00 H new ATOM 0 HB3 LYS A 77 3.573 1.183 17.415 1.00 0.00 H new ATOM 0 HG2 LYS A 77 5.760 3.161 17.794 1.00 0.00 H new ATOM 0 HG3 LYS A 77 4.474 3.260 18.981 1.00 0.00 H new ATOM 0 HD2 LYS A 77 5.905 0.654 18.334 1.00 0.00 H new ATOM 0 HD3 LYS A 77 6.462 1.760 19.574 1.00 0.00 H new ATOM 0 HE2 LYS A 77 4.238 1.594 20.720 1.00 0.00 H new ATOM 0 HE3 LYS A 77 3.682 0.487 19.480 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 4.465 -0.688 21.418 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 5.456 -1.036 20.084 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 5.994 0.037 21.285 1.00 0.00 H new ATOM 1202 N ARG A 78 5.030 0.086 14.603 1.00 0.00 N ATOM 1203 CA ARG A 78 5.981 -0.852 14.013 1.00 0.00 C ATOM 1204 C ARG A 78 7.026 -0.049 13.257 1.00 0.00 C ATOM 1205 O ARG A 78 6.661 0.761 12.402 1.00 0.00 O ATOM 1206 CB ARG A 78 5.289 -1.875 13.095 1.00 0.00 C ATOM 1207 CG ARG A 78 4.784 -3.089 13.885 1.00 0.00 C ATOM 1208 CD ARG A 78 5.947 -4.021 14.277 1.00 0.00 C ATOM 1209 NE ARG A 78 5.544 -4.956 15.333 1.00 0.00 N ATOM 1210 CZ ARG A 78 5.552 -4.728 16.652 1.00 0.00 C ATOM 1211 NH1 ARG A 78 6.070 -3.615 17.165 1.00 0.00 N ATOM 1212 NH2 ARG A 78 4.999 -5.635 17.441 1.00 0.00 N ATOM 0 H ARG A 78 4.061 -0.051 14.314 1.00 0.00 H new ATOM 0 HA ARG A 78 6.455 -1.433 14.805 1.00 0.00 H new ATOM 0 HB2 ARG A 78 4.452 -1.399 12.584 1.00 0.00 H new ATOM 0 HB3 ARG A 78 5.987 -2.205 12.325 1.00 0.00 H new ATOM 0 HG2 ARG A 78 4.266 -2.752 14.783 1.00 0.00 H new ATOM 0 HG3 ARG A 78 4.059 -3.640 13.286 1.00 0.00 H new ATOM 0 HD2 ARG A 78 6.281 -4.578 13.402 1.00 0.00 H new ATOM 0 HD3 ARG A 78 6.794 -3.426 14.618 1.00 0.00 H new ATOM 0 HE ARG A 78 5.224 -5.876 15.031 1.00 0.00 H new ATOM 0 HH11 ARG A 78 6.474 -2.910 16.549 1.00 0.00 H new ATOM 0 HH12 ARG A 78 6.063 -3.467 18.174 1.00 0.00 H new ATOM 0 HH21 ARG A 78 4.584 -6.476 17.039 1.00 0.00 H new ATOM 0 HH22 ARG A 78 4.988 -5.493 18.451 1.00 0.00 H new ATOM 1226 N LYS A 79 8.306 -0.236 13.590 1.00 0.00 N ATOM 1227 CA LYS A 79 9.374 0.434 12.860 1.00 0.00 C ATOM 1228 C LYS A 79 9.411 -0.056 11.425 1.00 0.00 C ATOM 1229 O LYS A 79 8.801 -1.071 11.087 1.00 0.00 O ATOM 1230 CB LYS A 79 10.734 0.258 13.542 1.00 0.00 C ATOM 1231 CG LYS A 79 10.812 1.162 14.774 1.00 0.00 C ATOM 1232 CD LYS A 79 12.161 1.042 15.493 1.00 0.00 C ATOM 1233 CE LYS A 79 13.212 1.838 14.707 1.00 0.00 C ATOM 1234 NZ LYS A 79 14.594 1.409 14.981 1.00 0.00 N ATOM 0 H LYS A 79 8.621 -0.838 14.351 1.00 0.00 H new ATOM 0 HA LYS A 79 9.161 1.503 12.860 1.00 0.00 H new ATOM 0 HB2 LYS A 79 10.874 -0.783 13.833 1.00 0.00 H new ATOM 0 HB3 LYS A 79 11.536 0.505 12.846 1.00 0.00 H new ATOM 0 HG2 LYS A 79 10.653 2.198 14.474 1.00 0.00 H new ATOM 0 HG3 LYS A 79 10.009 0.903 15.465 1.00 0.00 H new ATOM 0 HD2 LYS A 79 12.082 1.424 16.511 1.00 0.00 H new ATOM 0 HD3 LYS A 79 12.458 -0.004 15.567 1.00 0.00 H new ATOM 0 HE2 LYS A 79 13.012 1.736 13.640 1.00 0.00 H new ATOM 0 HE3 LYS A 79 13.113 2.896 14.950 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 15.254 1.985 14.420 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 14.801 1.531 15.993 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 14.704 0.407 14.724 1.00 0.00 H new ATOM 1248 N GLY A 80 10.103 0.694 10.589 1.00 0.00 N ATOM 1249 CA GLY A 80 10.126 0.498 9.143 1.00 0.00 C ATOM 1250 C GLY A 80 8.888 1.083 8.475 1.00 0.00 C ATOM 1251 O GLY A 80 9.006 1.729 7.440 1.00 0.00 O ATOM 0 H GLY A 80 10.680 1.476 10.899 1.00 0.00 H new ATOM 0 HA2 GLY A 80 11.019 0.965 8.727 1.00 0.00 H new ATOM 0 HA3 GLY A 80 10.190 -0.567 8.921 1.00 0.00 H new ATOM 1255 N PHE A 81 7.702 0.923 9.076 1.00 0.00 N ATOM 1256 CA PHE A 81 6.440 1.331 8.462 1.00 0.00 C ATOM 1257 C PHE A 81 6.471 2.795 7.989 1.00 0.00 C ATOM 1258 O PHE A 81 5.837 3.127 6.992 1.00 0.00 O ATOM 1259 CB PHE A 81 5.298 1.085 9.463 1.00 0.00 C ATOM 1260 CG PHE A 81 3.888 1.074 8.896 1.00 0.00 C ATOM 1261 CD1 PHE A 81 3.271 2.261 8.457 1.00 0.00 C ATOM 1262 CD2 PHE A 81 3.159 -0.130 8.859 1.00 0.00 C ATOM 1263 CE1 PHE A 81 1.969 2.225 7.935 1.00 0.00 C ATOM 1264 CE2 PHE A 81 1.849 -0.161 8.351 1.00 0.00 C ATOM 1265 CZ PHE A 81 1.260 1.021 7.876 1.00 0.00 C ATOM 0 H PHE A 81 7.594 0.507 10.001 1.00 0.00 H new ATOM 0 HA PHE A 81 6.274 0.731 7.567 1.00 0.00 H new ATOM 0 HB2 PHE A 81 5.475 0.128 9.954 1.00 0.00 H new ATOM 0 HB3 PHE A 81 5.349 1.854 10.234 1.00 0.00 H new ATOM 0 HD1 PHE A 81 3.800 3.200 8.522 1.00 0.00 H new ATOM 0 HD2 PHE A 81 3.612 -1.040 9.225 1.00 0.00 H new ATOM 0 HE1 PHE A 81 1.511 3.135 7.576 1.00 0.00 H new ATOM 0 HE2 PHE A 81 1.298 -1.090 8.326 1.00 0.00 H new ATOM 0 HZ PHE A 81 0.261 1.001 7.466 1.00 0.00 H new ATOM 1275 N ASN A 82 7.161 3.692 8.707 1.00 0.00 N ATOM 1276 CA ASN A 82 7.307 5.089 8.320 1.00 0.00 C ATOM 1277 C ASN A 82 8.127 5.267 7.042 1.00 0.00 C ATOM 1278 O ASN A 82 7.702 6.006 6.164 1.00 0.00 O ATOM 1279 CB ASN A 82 7.936 5.886 9.470 1.00 0.00 C ATOM 1280 CG ASN A 82 7.149 7.155 9.689 1.00 0.00 C ATOM 1281 OD1 ASN A 82 7.161 8.078 8.888 1.00 0.00 O ATOM 1282 ND2 ASN A 82 6.377 7.202 10.760 1.00 0.00 N ATOM 0 H ASN A 82 7.635 3.459 9.580 1.00 0.00 H new ATOM 0 HA ASN A 82 6.308 5.470 8.108 1.00 0.00 H new ATOM 0 HB2 ASN A 82 7.943 5.287 10.381 1.00 0.00 H new ATOM 0 HB3 ASN A 82 8.974 6.124 9.237 1.00 0.00 H new ATOM 0 HD21 ASN A 82 5.783 8.014 10.925 1.00 0.00 H new ATOM 0 HD22 ASN A 82 6.375 6.426 11.422 1.00 0.00 H new ATOM 1289 N GLU A 83 9.271 4.592 6.928 1.00 0.00 N ATOM 1290 CA GLU A 83 10.086 4.529 5.713 1.00 0.00 C ATOM 1291 C GLU A 83 9.239 3.962 4.562 1.00 0.00 C ATOM 1292 O GLU A 83 9.217 4.523 3.469 1.00 0.00 O ATOM 1293 CB GLU A 83 11.335 3.661 5.980 1.00 0.00 C ATOM 1294 CG GLU A 83 12.349 4.275 6.965 1.00 0.00 C ATOM 1295 CD GLU A 83 13.545 4.973 6.313 1.00 0.00 C ATOM 1296 OE1 GLU A 83 13.399 5.565 5.219 1.00 0.00 O ATOM 1297 OE2 GLU A 83 14.655 4.914 6.891 1.00 0.00 O ATOM 0 H GLU A 83 9.668 4.058 7.701 1.00 0.00 H new ATOM 0 HA GLU A 83 10.421 5.526 5.428 1.00 0.00 H new ATOM 0 HB2 GLU A 83 11.013 2.695 6.367 1.00 0.00 H new ATOM 0 HB3 GLU A 83 11.839 3.472 5.032 1.00 0.00 H new ATOM 0 HG2 GLU A 83 11.828 4.994 7.597 1.00 0.00 H new ATOM 0 HG3 GLU A 83 12.720 3.486 7.619 1.00 0.00 H new ATOM 1304 N GLY A 84 8.463 2.903 4.818 1.00 0.00 N ATOM 1305 CA GLY A 84 7.565 2.330 3.819 1.00 0.00 C ATOM 1306 C GLY A 84 6.478 3.307 3.360 1.00 0.00 C ATOM 1307 O GLY A 84 6.109 3.310 2.184 1.00 0.00 O ATOM 0 H GLY A 84 8.442 2.424 5.718 1.00 0.00 H new ATOM 0 HA2 GLY A 84 8.148 2.012 2.955 1.00 0.00 H new ATOM 0 HA3 GLY A 84 7.093 1.438 4.232 1.00 0.00 H new ATOM 1311 N LEU A 85 5.963 4.137 4.272 1.00 0.00 N ATOM 1312 CA LEU A 85 5.002 5.199 3.971 1.00 0.00 C ATOM 1313 C LEU A 85 5.642 6.385 3.241 1.00 0.00 C ATOM 1314 O LEU A 85 4.912 7.208 2.676 1.00 0.00 O ATOM 1315 CB LEU A 85 4.343 5.717 5.262 1.00 0.00 C ATOM 1316 CG LEU A 85 3.113 4.943 5.767 1.00 0.00 C ATOM 1317 CD1 LEU A 85 2.576 5.725 6.971 1.00 0.00 C ATOM 1318 CD2 LEU A 85 1.989 4.800 4.730 1.00 0.00 C ATOM 0 H LEU A 85 6.209 4.087 5.261 1.00 0.00 H new ATOM 0 HA LEU A 85 4.255 4.754 3.314 1.00 0.00 H new ATOM 0 HB2 LEU A 85 5.094 5.716 6.052 1.00 0.00 H new ATOM 0 HB3 LEU A 85 4.050 6.755 5.102 1.00 0.00 H new ATOM 0 HG LEU A 85 3.425 3.927 6.008 1.00 0.00 H new ATOM 0 HD11 LEU A 85 1.698 5.218 7.372 1.00 0.00 H new ATOM 0 HD12 LEU A 85 3.345 5.781 7.741 1.00 0.00 H new ATOM 0 HD13 LEU A 85 2.302 6.732 6.658 1.00 0.00 H new ATOM 0 HD21 LEU A 85 1.160 4.242 5.166 1.00 0.00 H new ATOM 0 HD22 LEU A 85 1.643 5.789 4.430 1.00 0.00 H new ATOM 0 HD23 LEU A 85 2.365 4.267 3.857 1.00 0.00 H new ATOM 1330 N TRP A 86 6.967 6.513 3.259 1.00 0.00 N ATOM 1331 CA TRP A 86 7.682 7.462 2.426 1.00 0.00 C ATOM 1332 C TRP A 86 7.768 6.901 1.018 1.00 0.00 C ATOM 1333 O TRP A 86 7.367 7.579 0.073 1.00 0.00 O ATOM 1334 CB TRP A 86 9.066 7.747 3.018 1.00 0.00 C ATOM 1335 CG TRP A 86 9.710 8.986 2.496 1.00 0.00 C ATOM 1336 CD1 TRP A 86 9.666 10.206 3.069 1.00 0.00 C ATOM 1337 CD2 TRP A 86 10.524 9.137 1.303 1.00 0.00 C ATOM 1338 NE1 TRP A 86 10.409 11.096 2.321 1.00 0.00 N ATOM 1339 CE2 TRP A 86 10.935 10.496 1.197 1.00 0.00 C ATOM 1340 CE3 TRP A 86 10.936 8.251 0.294 1.00 0.00 C ATOM 1341 CZ2 TRP A 86 11.714 10.956 0.126 1.00 0.00 C ATOM 1342 CZ3 TRP A 86 11.691 8.706 -0.804 1.00 0.00 C ATOM 1343 CH2 TRP A 86 12.073 10.057 -0.895 1.00 0.00 C ATOM 0 H TRP A 86 7.574 5.954 3.859 1.00 0.00 H new ATOM 0 HA TRP A 86 7.151 8.413 2.389 1.00 0.00 H new ATOM 0 HB2 TRP A 86 8.976 7.826 4.101 1.00 0.00 H new ATOM 0 HB3 TRP A 86 9.718 6.898 2.814 1.00 0.00 H new ATOM 0 HD1 TRP A 86 9.131 10.449 3.975 1.00 0.00 H new ATOM 0 HE1 TRP A 86 10.551 12.075 2.569 1.00 0.00 H new ATOM 0 HE3 TRP A 86 10.670 7.206 0.361 1.00 0.00 H new ATOM 0 HZ2 TRP A 86 12.034 11.987 0.085 1.00 0.00 H new ATOM 0 HZ3 TRP A 86 11.979 8.014 -1.581 1.00 0.00 H new ATOM 0 HH2 TRP A 86 12.640 10.403 -1.746 1.00 0.00 H new ATOM 1354 N GLU A 87 8.257 5.670 0.879 1.00 0.00 N ATOM 1355 CA GLU A 87 8.519 5.045 -0.408 1.00 0.00 C ATOM 1356 C GLU A 87 7.255 4.905 -1.253 1.00 0.00 C ATOM 1357 O GLU A 87 7.302 5.240 -2.435 1.00 0.00 O ATOM 1358 CB GLU A 87 9.212 3.687 -0.210 1.00 0.00 C ATOM 1359 CG GLU A 87 10.722 3.801 -0.285 1.00 0.00 C ATOM 1360 CD GLU A 87 11.497 2.510 -0.035 1.00 0.00 C ATOM 1361 OE1 GLU A 87 10.917 1.435 0.232 1.00 0.00 O ATOM 1362 OE2 GLU A 87 12.746 2.558 -0.216 1.00 0.00 O ATOM 0 H GLU A 87 8.485 5.072 1.673 1.00 0.00 H new ATOM 0 HA GLU A 87 9.190 5.702 -0.962 1.00 0.00 H new ATOM 0 HB2 GLU A 87 8.928 3.273 0.757 1.00 0.00 H new ATOM 0 HB3 GLU A 87 8.863 2.988 -0.971 1.00 0.00 H new ATOM 0 HG2 GLU A 87 10.991 4.179 -1.271 1.00 0.00 H new ATOM 0 HG3 GLU A 87 11.048 4.545 0.441 1.00 0.00 H new ATOM 1369 N ILE A 88 6.139 4.434 -0.685 1.00 0.00 N ATOM 1370 CA ILE A 88 4.906 4.266 -1.456 1.00 0.00 C ATOM 1371 C ILE A 88 4.370 5.609 -1.975 1.00 0.00 C ATOM 1372 O ILE A 88 3.794 5.681 -3.066 1.00 0.00 O ATOM 1373 CB ILE A 88 3.861 3.488 -0.619 1.00 0.00 C ATOM 1374 CG1 ILE A 88 2.723 2.973 -1.524 1.00 0.00 C ATOM 1375 CG2 ILE A 88 3.310 4.328 0.548 1.00 0.00 C ATOM 1376 CD1 ILE A 88 1.851 1.897 -0.877 1.00 0.00 C ATOM 0 H ILE A 88 6.066 4.165 0.296 1.00 0.00 H new ATOM 0 HA ILE A 88 5.127 3.674 -2.344 1.00 0.00 H new ATOM 0 HB ILE A 88 4.366 2.630 -0.175 1.00 0.00 H new ATOM 0 HG12 ILE A 88 2.091 3.814 -1.810 1.00 0.00 H new ATOM 0 HG13 ILE A 88 3.155 2.573 -2.441 1.00 0.00 H new ATOM 0 HG21 ILE A 88 2.581 3.741 1.106 1.00 0.00 H new ATOM 0 HG22 ILE A 88 4.128 4.614 1.209 1.00 0.00 H new ATOM 0 HG23 ILE A 88 2.830 5.225 0.156 1.00 0.00 H new ATOM 0 HD11 ILE A 88 1.075 1.588 -1.577 1.00 0.00 H new ATOM 0 HD12 ILE A 88 2.468 1.037 -0.616 1.00 0.00 H new ATOM 0 HD13 ILE A 88 1.388 2.298 0.025 1.00 0.00 H new ATOM 1388 N GLU A 89 4.559 6.688 -1.210 1.00 0.00 N ATOM 1389 CA GLU A 89 4.171 8.020 -1.642 1.00 0.00 C ATOM 1390 C GLU A 89 5.085 8.467 -2.776 1.00 0.00 C ATOM 1391 O GLU A 89 4.585 8.876 -3.824 1.00 0.00 O ATOM 1392 CB GLU A 89 4.202 9.027 -0.477 1.00 0.00 C ATOM 1393 CG GLU A 89 2.830 9.138 0.215 1.00 0.00 C ATOM 1394 CD GLU A 89 2.563 10.529 0.793 1.00 0.00 C ATOM 1395 OE1 GLU A 89 3.524 11.170 1.283 1.00 0.00 O ATOM 1396 OE2 GLU A 89 1.425 11.037 0.649 1.00 0.00 O ATOM 0 H GLU A 89 4.982 6.657 -0.282 1.00 0.00 H new ATOM 0 HA GLU A 89 3.142 7.985 -2.001 1.00 0.00 H new ATOM 0 HB2 GLU A 89 4.953 8.719 0.251 1.00 0.00 H new ATOM 0 HB3 GLU A 89 4.502 10.006 -0.850 1.00 0.00 H new ATOM 0 HG2 GLU A 89 2.047 8.892 -0.502 1.00 0.00 H new ATOM 0 HG3 GLU A 89 2.772 8.401 1.016 1.00 0.00 H new ATOM 1403 N ASN A 90 6.401 8.410 -2.553 1.00 0.00 N ATOM 1404 CA ASN A 90 7.393 8.980 -3.459 1.00 0.00 C ATOM 1405 C ASN A 90 7.519 8.176 -4.754 1.00 0.00 C ATOM 1406 O ASN A 90 7.918 8.745 -5.768 1.00 0.00 O ATOM 1407 CB ASN A 90 8.747 9.141 -2.746 1.00 0.00 C ATOM 1408 CG ASN A 90 8.725 10.361 -1.831 1.00 0.00 C ATOM 1409 OD1 ASN A 90 9.057 11.469 -2.246 1.00 0.00 O ATOM 1410 ND2 ASN A 90 8.242 10.234 -0.607 1.00 0.00 N ATOM 0 H ASN A 90 6.808 7.963 -1.731 1.00 0.00 H new ATOM 0 HA ASN A 90 7.048 9.972 -3.749 1.00 0.00 H new ATOM 0 HB2 ASN A 90 8.967 8.246 -2.164 1.00 0.00 H new ATOM 0 HB3 ASN A 90 9.543 9.246 -3.483 1.00 0.00 H new ATOM 0 HD21 ASN A 90 8.146 11.055 -0.009 1.00 0.00 H new ATOM 0 HD22 ASN A 90 7.966 9.315 -0.261 1.00 0.00 H new ATOM 1417 N SER A 91 7.124 6.900 -4.769 1.00 0.00 N ATOM 1418 CA SER A 91 6.873 6.138 -5.981 1.00 0.00 C ATOM 1419 C SER A 91 5.842 6.860 -6.857 1.00 0.00 C ATOM 1420 O SER A 91 6.125 7.195 -8.011 1.00 0.00 O ATOM 1421 CB SER A 91 6.364 4.740 -5.592 1.00 0.00 C ATOM 1422 OG SER A 91 7.426 3.826 -5.417 1.00 0.00 O ATOM 0 H SER A 91 6.968 6.362 -3.916 1.00 0.00 H new ATOM 0 HA SER A 91 7.796 6.043 -6.554 1.00 0.00 H new ATOM 0 HB2 SER A 91 5.786 4.807 -4.670 1.00 0.00 H new ATOM 0 HB3 SER A 91 5.690 4.370 -6.365 1.00 0.00 H new ATOM 0 HG SER A 91 7.137 3.097 -4.830 1.00 0.00 H new ATOM 1428 N GLY A 92 4.631 7.061 -6.335 1.00 0.00 N ATOM 1429 CA GLY A 92 3.478 7.426 -7.130 1.00 0.00 C ATOM 1430 C GLY A 92 3.268 8.936 -7.248 1.00 0.00 C ATOM 1431 O GLY A 92 4.061 9.743 -6.759 1.00 0.00 O ATOM 0 H GLY A 92 4.431 6.972 -5.339 1.00 0.00 H new ATOM 0 HA2 GLY A 92 3.588 7.004 -8.129 1.00 0.00 H new ATOM 0 HA3 GLY A 92 2.587 6.977 -6.690 1.00 0.00 H new ATOM 1435 N PRO A 93 2.175 9.331 -7.913 1.00 0.00 N ATOM 1436 CA PRO A 93 1.945 10.695 -8.355 1.00 0.00 C ATOM 1437 C PRO A 93 1.799 11.616 -7.142 1.00 0.00 C ATOM 1438 O PRO A 93 1.079 11.313 -6.182 1.00 0.00 O ATOM 1439 CB PRO A 93 0.718 10.617 -9.264 1.00 0.00 C ATOM 1440 CG PRO A 93 -0.045 9.390 -8.766 1.00 0.00 C ATOM 1441 CD PRO A 93 1.059 8.468 -8.257 1.00 0.00 C ATOM 0 HA PRO A 93 2.772 11.129 -8.917 1.00 0.00 H new ATOM 0 HB2 PRO A 93 0.111 11.519 -9.191 1.00 0.00 H new ATOM 0 HB3 PRO A 93 1.004 10.510 -10.310 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -0.749 9.649 -7.975 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -0.621 8.924 -9.565 1.00 0.00 H new ATOM 0 HD2 PRO A 93 0.724 7.900 -7.389 1.00 0.00 H new ATOM 0 HD3 PRO A 93 1.346 7.745 -9.020 1.00 0.00 H new ATOM 1449 N SER A 94 2.556 12.703 -7.133 1.00 0.00 N ATOM 1450 CA SER A 94 2.818 13.565 -5.990 1.00 0.00 C ATOM 1451 C SER A 94 3.171 14.963 -6.515 1.00 0.00 C ATOM 1452 O SER A 94 3.432 15.114 -7.707 1.00 0.00 O ATOM 1453 CB SER A 94 3.945 12.930 -5.149 1.00 0.00 C ATOM 1454 OG SER A 94 4.905 12.231 -5.929 1.00 0.00 O ATOM 0 H SER A 94 3.033 13.026 -7.975 1.00 0.00 H new ATOM 0 HA SER A 94 1.948 13.668 -5.341 1.00 0.00 H new ATOM 0 HB2 SER A 94 4.449 13.712 -4.581 1.00 0.00 H new ATOM 0 HB3 SER A 94 3.506 12.243 -4.426 1.00 0.00 H new ATOM 0 HG SER A 94 4.597 11.313 -6.081 1.00 0.00 H new ATOM 1460 N SER A 95 3.188 15.988 -5.658 1.00 0.00 N ATOM 1461 CA SER A 95 3.633 17.340 -6.007 1.00 0.00 C ATOM 1462 C SER A 95 2.782 17.999 -7.117 1.00 0.00 C ATOM 1463 O SER A 95 3.232 18.929 -7.795 1.00 0.00 O ATOM 1464 CB SER A 95 5.141 17.294 -6.320 1.00 0.00 C ATOM 1465 OG SER A 95 5.816 18.433 -5.821 1.00 0.00 O ATOM 0 H SER A 95 2.888 15.900 -4.687 1.00 0.00 H new ATOM 0 HA SER A 95 3.477 17.998 -5.152 1.00 0.00 H new ATOM 0 HB2 SER A 95 5.575 16.394 -5.884 1.00 0.00 H new ATOM 0 HB3 SER A 95 5.287 17.228 -7.398 1.00 0.00 H new ATOM 0 HG SER A 95 6.770 18.369 -6.037 1.00 0.00 H new ATOM 1471 N GLY A 96 1.537 17.550 -7.304 1.00 0.00 N ATOM 1472 CA GLY A 96 0.611 18.097 -8.283 1.00 0.00 C ATOM 1473 C GLY A 96 -0.635 17.246 -8.257 1.00 0.00 C ATOM 1474 O GLY A 96 -0.965 16.608 -9.272 1.00 0.00 O ATOM 0 H GLY A 96 1.143 16.780 -6.764 1.00 0.00 H new ATOM 0 HA2 GLY A 96 0.372 19.134 -8.046 1.00 0.00 H new ATOM 0 HA3 GLY A 96 1.058 18.092 -9.277 1.00 0.00 H new TER 1478 GLY A 96