USER MOD reduce.3.24.130724 H: found=0, std=0, add=525, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 522 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 NoAdj-H: A 34 HIS HD1 : A 34 HIS ND1 : A 401 ZNZN :(H bumps) USER MOD NoAdj-H: A 71 HIS HD1 : A 71 HIS ND1 : A 201 ZNZN :(H bumps) USER MOD Set 1.1: A 14 ASN : amide:sc= -5.71 K(o=-7.3,f=-14!) USER MOD Set 1.2: A 72 ASN : amide:sc= -1.59 X(o=-7.3,f=-7.5) USER MOD Set 2.1: A 32 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 68 LYS NZ :NH3+ -165:sc= -0.246 (180deg=-0.511) USER MOD Single : A 1 GLY N :NH3+ 133:sc= 0.00632 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0.00664 USER MOD Single : A 8 MET CE :methyl 142:sc= -0.0432 (180deg=-0.527) USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 19 GLN : amide:sc= -0.265 X(o=-0.27,f=-0.03) USER MOD Single : A 25 THR OG1 : rot 180:sc= -0.442 USER MOD Single : A 26 ASN : amide:sc= -5.13! C(o=-5.1!,f=-21!) USER MOD Single : A 27 SER OG : rot 180:sc= -0.0266 USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 HIS : no HE2:sc= -7.12! C(o=-7.1!,f=-14!) USER MOD Single : A 45 LYS NZ :NH3+ -110:sc= -1.7! (180deg=-3.52!) USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 THR OG1 : rot 127:sc= -0.833 USER MOD Single : A 55 THR OG1 : rot 180:sc= 0.0214 USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 67 THR OG1 : rot -110:sc= -0.713 USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 75 LYS NZ :NH3+ 153:sc= -0.804 (180deg=-1.26) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -14.732 10.540 11.527 1.00 0.00 N ATOM 2 CA GLY A 1 -13.756 9.911 10.655 1.00 0.00 C ATOM 3 C GLY A 1 -13.439 10.754 9.436 1.00 0.00 C ATOM 4 O GLY A 1 -14.329 11.373 8.852 1.00 0.00 O ATOM 0 H1 GLY A 1 -15.460 9.846 11.791 1.00 0.00 H new ATOM 0 H2 GLY A 1 -14.258 10.888 12.385 1.00 0.00 H new ATOM 0 H3 GLY A 1 -15.178 11.338 11.031 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -12.839 9.727 11.214 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -14.133 8.940 10.333 1.00 0.00 H new ATOM 8 N SER A 2 -12.168 10.781 9.052 1.00 0.00 N ATOM 9 CA SER A 2 -11.734 11.559 7.897 1.00 0.00 C ATOM 10 C SER A 2 -10.939 10.692 6.925 1.00 0.00 C ATOM 11 O SER A 2 -10.797 9.486 7.126 1.00 0.00 O ATOM 12 CB SER A 2 -10.886 12.750 8.347 1.00 0.00 C ATOM 13 OG SER A 2 -9.800 12.326 9.154 1.00 0.00 O ATOM 0 H SER A 2 -11.420 10.273 9.523 1.00 0.00 H new ATOM 0 HA SER A 2 -12.622 11.928 7.384 1.00 0.00 H new ATOM 0 HB2 SER A 2 -10.509 13.282 7.474 1.00 0.00 H new ATOM 0 HB3 SER A 2 -11.506 13.452 8.905 1.00 0.00 H new ATOM 0 HG SER A 2 -9.272 13.105 9.428 1.00 0.00 H new ATOM 19 N SER A 3 -10.424 11.317 5.871 1.00 0.00 N ATOM 20 CA SER A 3 -9.647 10.603 4.865 1.00 0.00 C ATOM 21 C SER A 3 -8.547 11.494 4.295 1.00 0.00 C ATOM 22 O SER A 3 -8.553 12.709 4.491 1.00 0.00 O ATOM 23 CB SER A 3 -10.557 10.115 3.737 1.00 0.00 C ATOM 24 OG SER A 3 -11.278 11.191 3.160 1.00 0.00 O ATOM 0 H SER A 3 -10.531 12.315 5.692 1.00 0.00 H new ATOM 0 HA SER A 3 -9.182 9.742 5.346 1.00 0.00 H new ATOM 0 HB2 SER A 3 -9.959 9.622 2.971 1.00 0.00 H new ATOM 0 HB3 SER A 3 -11.254 9.372 4.124 1.00 0.00 H new ATOM 0 HG SER A 3 -11.851 10.852 2.441 1.00 0.00 H new ATOM 30 N GLY A 4 -7.602 10.880 3.588 1.00 0.00 N ATOM 31 CA GLY A 4 -6.509 11.632 3.000 1.00 0.00 C ATOM 32 C GLY A 4 -6.992 12.782 2.139 1.00 0.00 C ATOM 33 O GLY A 4 -7.638 12.569 1.113 1.00 0.00 O ATOM 0 H GLY A 4 -7.574 9.876 3.412 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -5.871 12.020 3.794 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -5.896 10.963 2.396 1.00 0.00 H new ATOM 37 N SER A 5 -6.682 14.005 2.557 1.00 0.00 N ATOM 38 CA SER A 5 -7.094 15.193 1.820 1.00 0.00 C ATOM 39 C SER A 5 -5.915 15.798 1.062 1.00 0.00 C ATOM 40 O SER A 5 -6.056 16.233 -0.080 1.00 0.00 O ATOM 41 CB SER A 5 -7.689 16.231 2.773 1.00 0.00 C ATOM 42 OG SER A 5 -8.387 17.237 2.061 1.00 0.00 O ATOM 0 H SER A 5 -6.146 14.199 3.403 1.00 0.00 H new ATOM 0 HA SER A 5 -7.855 14.896 1.098 1.00 0.00 H new ATOM 0 HB2 SER A 5 -8.366 15.741 3.473 1.00 0.00 H new ATOM 0 HB3 SER A 5 -6.893 16.685 3.364 1.00 0.00 H new ATOM 0 HG SER A 5 -8.759 17.887 2.693 1.00 0.00 H new ATOM 48 N SER A 6 -4.754 15.821 1.709 1.00 0.00 N ATOM 49 CA SER A 6 -3.551 16.376 1.099 1.00 0.00 C ATOM 50 C SER A 6 -3.335 15.801 -0.297 1.00 0.00 C ATOM 51 O SER A 6 -3.113 16.538 -1.257 1.00 0.00 O ATOM 52 CB SER A 6 -2.331 16.089 1.976 1.00 0.00 C ATOM 53 OG SER A 6 -2.588 16.416 3.331 1.00 0.00 O ATOM 0 H SER A 6 -4.621 15.462 2.654 1.00 0.00 H new ATOM 0 HA SER A 6 -3.682 17.455 1.012 1.00 0.00 H new ATOM 0 HB2 SER A 6 -2.063 15.035 1.898 1.00 0.00 H new ATOM 0 HB3 SER A 6 -1.477 16.663 1.616 1.00 0.00 H new ATOM 0 HG SER A 6 -1.793 16.222 3.871 1.00 0.00 H new ATOM 59 N GLY A 7 -3.401 14.477 -0.402 1.00 0.00 N ATOM 60 CA GLY A 7 -3.210 13.824 -1.684 1.00 0.00 C ATOM 61 C GLY A 7 -1.755 13.798 -2.111 1.00 0.00 C ATOM 62 O GLY A 7 -1.450 13.577 -3.282 1.00 0.00 O ATOM 0 H GLY A 7 -3.583 13.845 0.378 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -3.587 12.803 -1.628 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -3.799 14.340 -2.442 1.00 0.00 H new ATOM 66 N MET A 8 -0.858 14.027 -1.159 1.00 0.00 N ATOM 67 CA MET A 8 0.574 14.029 -1.444 1.00 0.00 C ATOM 68 C MET A 8 1.172 12.642 -1.235 1.00 0.00 C ATOM 69 O MET A 8 2.386 12.462 -1.309 1.00 0.00 O ATOM 70 CB MET A 8 1.290 15.046 -0.553 1.00 0.00 C ATOM 71 CG MET A 8 0.850 14.996 0.901 1.00 0.00 C ATOM 72 SD MET A 8 1.834 16.074 1.961 1.00 0.00 S ATOM 73 CE MET A 8 1.423 17.681 1.284 1.00 0.00 C ATOM 0 H MET A 8 -1.095 14.213 -0.185 1.00 0.00 H new ATOM 0 HA MET A 8 0.712 14.310 -2.488 1.00 0.00 H new ATOM 0 HB2 MET A 8 2.364 14.870 -0.605 1.00 0.00 H new ATOM 0 HB3 MET A 8 1.112 16.048 -0.944 1.00 0.00 H new ATOM 0 HG2 MET A 8 -0.199 15.284 0.969 1.00 0.00 H new ATOM 0 HG3 MET A 8 0.923 13.971 1.264 1.00 0.00 H new ATOM 0 HE1 MET A 8 1.340 18.406 2.093 1.00 0.00 H new ATOM 0 HE2 MET A 8 2.205 17.996 0.593 1.00 0.00 H new ATOM 0 HE3 MET A 8 0.473 17.620 0.753 1.00 0.00 H new ATOM 83 N ALA A 9 0.311 11.664 -0.975 1.00 0.00 N ATOM 84 CA ALA A 9 0.755 10.292 -0.758 1.00 0.00 C ATOM 85 C ALA A 9 1.092 9.609 -2.079 1.00 0.00 C ATOM 86 O ALA A 9 0.201 9.162 -2.804 1.00 0.00 O ATOM 87 CB ALA A 9 -0.311 9.505 -0.011 1.00 0.00 C ATOM 0 H ALA A 9 -0.698 11.796 -0.909 1.00 0.00 H new ATOM 0 HA ALA A 9 1.661 10.320 -0.153 1.00 0.00 H new ATOM 0 HB1 ALA A 9 0.033 8.483 0.144 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -0.500 9.975 0.954 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -1.231 9.493 -0.595 1.00 0.00 H new ATOM 93 N LEU A 10 2.382 9.531 -2.387 1.00 0.00 N ATOM 94 CA LEU A 10 2.837 8.902 -3.622 1.00 0.00 C ATOM 95 C LEU A 10 2.854 7.383 -3.485 1.00 0.00 C ATOM 96 O LEU A 10 3.208 6.848 -2.434 1.00 0.00 O ATOM 97 CB LEU A 10 4.231 9.409 -3.992 1.00 0.00 C ATOM 98 CG LEU A 10 4.445 10.919 -3.891 1.00 0.00 C ATOM 99 CD1 LEU A 10 5.807 11.304 -4.448 1.00 0.00 C ATOM 100 CD2 LEU A 10 3.339 11.665 -4.621 1.00 0.00 C ATOM 0 H LEU A 10 3.131 9.895 -1.799 1.00 0.00 H new ATOM 0 HA LEU A 10 2.139 9.168 -4.415 1.00 0.00 H new ATOM 0 HB2 LEU A 10 4.958 8.915 -3.347 1.00 0.00 H new ATOM 0 HB3 LEU A 10 4.449 9.099 -5.014 1.00 0.00 H new ATOM 0 HG LEU A 10 4.413 11.201 -2.839 1.00 0.00 H new ATOM 0 HD11 LEU A 10 5.941 12.383 -4.368 1.00 0.00 H new ATOM 0 HD12 LEU A 10 6.588 10.798 -3.881 1.00 0.00 H new ATOM 0 HD13 LEU A 10 5.869 11.008 -5.495 1.00 0.00 H new ATOM 0 HD21 LEU A 10 3.508 12.739 -4.538 1.00 0.00 H new ATOM 0 HD22 LEU A 10 3.339 11.378 -5.672 1.00 0.00 H new ATOM 0 HD23 LEU A 10 2.376 11.414 -4.176 1.00 0.00 H new ATOM 112 N LEU A 11 2.471 6.694 -4.554 1.00 0.00 N ATOM 113 CA LEU A 11 2.445 5.235 -4.555 1.00 0.00 C ATOM 114 C LEU A 11 3.823 4.666 -4.877 1.00 0.00 C ATOM 115 O LEU A 11 4.436 5.026 -5.882 1.00 0.00 O ATOM 116 CB LEU A 11 1.419 4.724 -5.568 1.00 0.00 C ATOM 117 CG LEU A 11 1.336 3.206 -5.732 1.00 0.00 C ATOM 118 CD1 LEU A 11 1.516 2.514 -4.389 1.00 0.00 C ATOM 119 CD2 LEU A 11 0.010 2.810 -6.365 1.00 0.00 C ATOM 0 H LEU A 11 2.174 7.122 -5.431 1.00 0.00 H new ATOM 0 HA LEU A 11 2.159 4.901 -3.558 1.00 0.00 H new ATOM 0 HB2 LEU A 11 0.435 5.092 -5.276 1.00 0.00 H new ATOM 0 HB3 LEU A 11 1.648 5.162 -6.539 1.00 0.00 H new ATOM 0 HG LEU A 11 2.141 2.886 -6.393 1.00 0.00 H new ATOM 0 HD11 LEU A 11 1.454 1.434 -4.525 1.00 0.00 H new ATOM 0 HD12 LEU A 11 2.490 2.772 -3.974 1.00 0.00 H new ATOM 0 HD13 LEU A 11 0.733 2.839 -3.704 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -0.032 1.726 -6.474 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -0.810 3.143 -5.729 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -0.079 3.277 -7.346 1.00 0.00 H new ATOM 131 N CYS A 12 4.304 3.773 -4.018 1.00 0.00 N ATOM 132 CA CYS A 12 5.608 3.151 -4.211 1.00 0.00 C ATOM 133 C CYS A 12 5.528 2.023 -5.236 1.00 0.00 C ATOM 134 O CYS A 12 4.540 1.290 -5.291 1.00 0.00 O ATOM 135 CB CYS A 12 6.141 2.611 -2.883 1.00 0.00 C ATOM 136 SG CYS A 12 7.922 2.228 -2.896 1.00 0.00 S ATOM 0 H CYS A 12 3.809 3.464 -3.181 1.00 0.00 H new ATOM 0 HA CYS A 12 6.292 3.912 -4.587 1.00 0.00 H new ATOM 0 HB2 CYS A 12 5.944 3.343 -2.100 1.00 0.00 H new ATOM 0 HB3 CYS A 12 5.588 1.709 -2.622 1.00 0.00 H new ATOM 141 N TYR A 13 6.573 1.889 -6.044 1.00 0.00 N ATOM 142 CA TYR A 13 6.620 0.852 -7.068 1.00 0.00 C ATOM 143 C TYR A 13 7.851 -0.030 -6.894 1.00 0.00 C ATOM 144 O TYR A 13 8.403 -0.544 -7.866 1.00 0.00 O ATOM 145 CB TYR A 13 6.622 1.482 -8.462 1.00 0.00 C ATOM 146 CG TYR A 13 5.334 2.197 -8.805 1.00 0.00 C ATOM 147 CD1 TYR A 13 4.207 1.489 -9.202 1.00 0.00 C ATOM 148 CD2 TYR A 13 5.247 3.582 -8.734 1.00 0.00 C ATOM 149 CE1 TYR A 13 3.030 2.138 -9.517 1.00 0.00 C ATOM 150 CE2 TYR A 13 4.073 4.240 -9.046 1.00 0.00 C ATOM 151 CZ TYR A 13 2.967 3.514 -9.437 1.00 0.00 C ATOM 152 OH TYR A 13 1.797 4.166 -9.750 1.00 0.00 O ATOM 0 H TYR A 13 7.400 2.486 -6.010 1.00 0.00 H new ATOM 0 HA TYR A 13 5.732 0.229 -6.960 1.00 0.00 H new ATOM 0 HB2 TYR A 13 7.449 2.188 -8.531 1.00 0.00 H new ATOM 0 HB3 TYR A 13 6.804 0.704 -9.203 1.00 0.00 H new ATOM 0 HD1 TYR A 13 4.252 0.412 -9.265 1.00 0.00 H new ATOM 0 HD2 TYR A 13 6.111 4.154 -8.430 1.00 0.00 H new ATOM 0 HE1 TYR A 13 2.163 1.572 -9.824 1.00 0.00 H new ATOM 0 HE2 TYR A 13 4.021 5.317 -8.984 1.00 0.00 H new ATOM 0 HH TYR A 13 1.921 5.132 -9.641 1.00 0.00 H new ATOM 162 N ASN A 14 8.278 -0.201 -5.647 1.00 0.00 N ATOM 163 CA ASN A 14 9.444 -1.021 -5.343 1.00 0.00 C ATOM 164 C ASN A 14 9.028 -2.430 -4.931 1.00 0.00 C ATOM 165 O ASN A 14 8.183 -2.607 -4.053 1.00 0.00 O ATOM 166 CB ASN A 14 10.271 -0.376 -4.229 1.00 0.00 C ATOM 167 CG ASN A 14 10.806 0.988 -4.621 1.00 0.00 C ATOM 168 OD1 ASN A 14 11.264 1.187 -5.746 1.00 0.00 O ATOM 169 ND2 ASN A 14 10.748 1.935 -3.692 1.00 0.00 N ATOM 0 H ASN A 14 7.833 0.218 -4.830 1.00 0.00 H new ATOM 0 HA ASN A 14 10.052 -1.090 -6.245 1.00 0.00 H new ATOM 0 HB2 ASN A 14 9.656 -0.279 -3.334 1.00 0.00 H new ATOM 0 HB3 ASN A 14 11.104 -1.030 -3.974 1.00 0.00 H new ATOM 0 HD21 ASN A 14 11.092 2.873 -3.898 1.00 0.00 H new ATOM 0 HD22 ASN A 14 10.360 1.724 -2.773 1.00 0.00 H new ATOM 176 N ARG A 15 9.627 -3.429 -5.572 1.00 0.00 N ATOM 177 CA ARG A 15 9.318 -4.822 -5.273 1.00 0.00 C ATOM 178 C ARG A 15 9.403 -5.088 -3.773 1.00 0.00 C ATOM 179 O ARG A 15 10.480 -5.035 -3.183 1.00 0.00 O ATOM 180 CB ARG A 15 10.274 -5.751 -6.022 1.00 0.00 C ATOM 181 CG ARG A 15 10.340 -5.482 -7.516 1.00 0.00 C ATOM 182 CD ARG A 15 11.028 -6.618 -8.257 1.00 0.00 C ATOM 183 NE ARG A 15 10.160 -7.784 -8.397 1.00 0.00 N ATOM 184 CZ ARG A 15 9.051 -7.792 -9.128 1.00 0.00 C ATOM 185 NH1 ARG A 15 8.677 -6.701 -9.782 1.00 0.00 N ATOM 186 NH2 ARG A 15 8.314 -8.892 -9.206 1.00 0.00 N ATOM 0 H ARG A 15 10.328 -3.299 -6.301 1.00 0.00 H new ATOM 0 HA ARG A 15 8.298 -5.020 -5.602 1.00 0.00 H new ATOM 0 HB2 ARG A 15 11.273 -5.648 -5.599 1.00 0.00 H new ATOM 0 HB3 ARG A 15 9.964 -6.784 -5.861 1.00 0.00 H new ATOM 0 HG2 ARG A 15 9.332 -5.349 -7.908 1.00 0.00 H new ATOM 0 HG3 ARG A 15 10.877 -4.551 -7.696 1.00 0.00 H new ATOM 0 HD2 ARG A 15 11.335 -6.274 -9.245 1.00 0.00 H new ATOM 0 HD3 ARG A 15 11.935 -6.903 -7.723 1.00 0.00 H new ATOM 0 HE ARG A 15 10.420 -8.640 -7.906 1.00 0.00 H new ATOM 0 HH11 ARG A 15 9.241 -5.853 -9.724 1.00 0.00 H new ATOM 0 HH12 ARG A 15 7.825 -6.709 -10.343 1.00 0.00 H new ATOM 0 HH21 ARG A 15 8.599 -9.733 -8.704 1.00 0.00 H new ATOM 0 HH22 ARG A 15 7.463 -8.897 -9.768 1.00 0.00 H new ATOM 200 N GLY A 16 8.257 -5.374 -3.161 1.00 0.00 N ATOM 201 CA GLY A 16 8.224 -5.643 -1.736 1.00 0.00 C ATOM 202 C GLY A 16 7.516 -4.553 -0.956 1.00 0.00 C ATOM 203 O GLY A 16 7.250 -4.704 0.237 1.00 0.00 O ATOM 0 H GLY A 16 7.351 -5.424 -3.627 1.00 0.00 H new ATOM 0 HA2 GLY A 16 7.723 -6.595 -1.561 1.00 0.00 H new ATOM 0 HA3 GLY A 16 9.244 -5.747 -1.365 1.00 0.00 H new ATOM 207 N CYS A 17 7.209 -3.449 -1.630 1.00 0.00 N ATOM 208 CA CYS A 17 6.530 -2.328 -0.993 1.00 0.00 C ATOM 209 C CYS A 17 5.158 -2.097 -1.619 1.00 0.00 C ATOM 210 O CYS A 17 4.128 -2.357 -0.997 1.00 0.00 O ATOM 211 CB CYS A 17 7.375 -1.058 -1.111 1.00 0.00 C ATOM 212 SG CYS A 17 7.097 0.147 0.226 1.00 0.00 S ATOM 0 H CYS A 17 7.420 -3.308 -2.618 1.00 0.00 H new ATOM 0 HA CYS A 17 6.394 -2.570 0.061 1.00 0.00 H new ATOM 0 HB2 CYS A 17 8.429 -1.336 -1.122 1.00 0.00 H new ATOM 0 HB3 CYS A 17 7.161 -0.580 -2.067 1.00 0.00 H new ATOM 217 N GLY A 18 5.150 -1.607 -2.855 1.00 0.00 N ATOM 218 CA GLY A 18 3.900 -1.349 -3.545 1.00 0.00 C ATOM 219 C GLY A 18 2.905 -0.603 -2.680 1.00 0.00 C ATOM 220 O GLY A 18 1.704 -0.616 -2.953 1.00 0.00 O ATOM 0 H GLY A 18 5.988 -1.384 -3.391 1.00 0.00 H new ATOM 0 HA2 GLY A 18 4.099 -0.770 -4.447 1.00 0.00 H new ATOM 0 HA3 GLY A 18 3.462 -2.295 -3.864 1.00 0.00 H new ATOM 224 N GLN A 19 3.403 0.048 -1.633 1.00 0.00 N ATOM 225 CA GLN A 19 2.547 0.801 -0.725 1.00 0.00 C ATOM 226 C GLN A 19 2.741 2.302 -0.911 1.00 0.00 C ATOM 227 O GLN A 19 3.717 2.740 -1.522 1.00 0.00 O ATOM 228 CB GLN A 19 2.840 0.413 0.726 1.00 0.00 C ATOM 229 CG GLN A 19 2.385 -0.993 1.083 1.00 0.00 C ATOM 230 CD GLN A 19 1.990 -1.126 2.541 1.00 0.00 C ATOM 231 OE1 GLN A 19 2.495 -1.991 3.257 1.00 0.00 O ATOM 232 NE2 GLN A 19 1.082 -0.267 2.988 1.00 0.00 N ATOM 0 H GLN A 19 4.394 0.069 -1.393 1.00 0.00 H new ATOM 0 HA GLN A 19 1.511 0.556 -0.957 1.00 0.00 H new ATOM 0 HB2 GLN A 19 3.912 0.496 0.906 1.00 0.00 H new ATOM 0 HB3 GLN A 19 2.349 1.124 1.390 1.00 0.00 H new ATOM 0 HG2 GLN A 19 1.538 -1.267 0.454 1.00 0.00 H new ATOM 0 HG3 GLN A 19 3.187 -1.697 0.862 1.00 0.00 H new ATOM 0 HE21 GLN A 19 0.690 0.434 2.359 1.00 0.00 H new ATOM 0 HE22 GLN A 19 0.776 -0.308 3.960 1.00 0.00 H new ATOM 241 N ARG A 20 1.807 3.085 -0.382 1.00 0.00 N ATOM 242 CA ARG A 20 1.877 4.537 -0.492 1.00 0.00 C ATOM 243 C ARG A 20 2.917 5.107 0.468 1.00 0.00 C ATOM 244 O ARG A 20 3.484 4.382 1.287 1.00 0.00 O ATOM 245 CB ARG A 20 0.509 5.158 -0.203 1.00 0.00 C ATOM 246 CG ARG A 20 -0.549 4.810 -1.239 1.00 0.00 C ATOM 247 CD ARG A 20 -0.505 5.766 -2.421 1.00 0.00 C ATOM 248 NE ARG A 20 -1.803 5.876 -3.083 1.00 0.00 N ATOM 249 CZ ARG A 20 -2.348 4.899 -3.799 1.00 0.00 C ATOM 250 NH1 ARG A 20 -1.710 3.745 -3.945 1.00 0.00 N ATOM 251 NH2 ARG A 20 -3.532 5.075 -4.371 1.00 0.00 N ATOM 0 H ARG A 20 0.993 2.739 0.127 1.00 0.00 H new ATOM 0 HA ARG A 20 2.174 4.784 -1.511 1.00 0.00 H new ATOM 0 HB2 ARG A 20 0.168 4.826 0.778 1.00 0.00 H new ATOM 0 HB3 ARG A 20 0.614 6.242 -0.153 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -0.396 3.789 -1.589 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -1.536 4.844 -0.778 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -0.187 6.751 -2.079 1.00 0.00 H new ATOM 0 HD3 ARG A 20 0.240 5.422 -3.138 1.00 0.00 H new ATOM 0 HE ARG A 20 -2.319 6.751 -2.990 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -0.799 3.607 -3.507 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -2.130 2.996 -4.495 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -4.025 5.961 -4.261 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -3.950 4.324 -4.921 1.00 0.00 H new ATOM 265 N PHE A 21 3.165 6.408 0.361 1.00 0.00 N ATOM 266 CA PHE A 21 4.137 7.074 1.218 1.00 0.00 C ATOM 267 C PHE A 21 4.090 8.587 1.022 1.00 0.00 C ATOM 268 O PHE A 21 3.488 9.081 0.068 1.00 0.00 O ATOM 269 CB PHE A 21 5.547 6.554 0.926 1.00 0.00 C ATOM 270 CG PHE A 21 6.078 6.982 -0.412 1.00 0.00 C ATOM 271 CD1 PHE A 21 5.804 6.242 -1.550 1.00 0.00 C ATOM 272 CD2 PHE A 21 6.851 8.126 -0.531 1.00 0.00 C ATOM 273 CE1 PHE A 21 6.292 6.633 -2.783 1.00 0.00 C ATOM 274 CE2 PHE A 21 7.342 8.522 -1.762 1.00 0.00 C ATOM 275 CZ PHE A 21 7.061 7.774 -2.889 1.00 0.00 C ATOM 0 H PHE A 21 2.706 7.022 -0.312 1.00 0.00 H new ATOM 0 HA PHE A 21 3.882 6.852 2.254 1.00 0.00 H new ATOM 0 HB2 PHE A 21 6.224 6.904 1.706 1.00 0.00 H new ATOM 0 HB3 PHE A 21 5.541 5.465 0.974 1.00 0.00 H new ATOM 0 HD1 PHE A 21 5.202 5.349 -1.473 1.00 0.00 H new ATOM 0 HD2 PHE A 21 7.072 8.715 0.347 1.00 0.00 H new ATOM 0 HE1 PHE A 21 6.072 6.046 -3.662 1.00 0.00 H new ATOM 0 HE2 PHE A 21 7.944 9.415 -1.842 1.00 0.00 H new ATOM 0 HZ PHE A 21 7.443 8.082 -3.851 1.00 0.00 H new ATOM 285 N ASP A 22 4.729 9.315 1.930 1.00 0.00 N ATOM 286 CA ASP A 22 4.761 10.772 1.857 1.00 0.00 C ATOM 287 C ASP A 22 6.151 11.266 1.469 1.00 0.00 C ATOM 288 O ASP A 22 7.160 10.897 2.072 1.00 0.00 O ATOM 289 CB ASP A 22 4.347 11.380 3.198 1.00 0.00 C ATOM 290 CG ASP A 22 3.354 10.512 3.945 1.00 0.00 C ATOM 291 OD1 ASP A 22 2.290 10.200 3.372 1.00 0.00 O ATOM 292 OD2 ASP A 22 3.642 10.143 5.103 1.00 0.00 O ATOM 0 H ASP A 22 5.232 8.921 2.725 1.00 0.00 H new ATOM 0 HA ASP A 22 4.055 11.088 1.089 1.00 0.00 H new ATOM 0 HB2 ASP A 22 5.233 11.528 3.816 1.00 0.00 H new ATOM 0 HB3 ASP A 22 3.909 12.364 3.028 1.00 0.00 H new ATOM 297 N PRO A 23 6.209 12.119 0.436 1.00 0.00 N ATOM 298 CA PRO A 23 7.470 12.682 -0.057 1.00 0.00 C ATOM 299 C PRO A 23 8.085 13.674 0.924 1.00 0.00 C ATOM 300 O PRO A 23 9.290 13.649 1.172 1.00 0.00 O ATOM 301 CB PRO A 23 7.061 13.392 -1.349 1.00 0.00 C ATOM 302 CG PRO A 23 5.618 13.716 -1.163 1.00 0.00 C ATOM 303 CD PRO A 23 5.049 12.602 -0.330 1.00 0.00 C ATOM 0 HA PRO A 23 8.231 11.914 -0.199 1.00 0.00 H new ATOM 0 HB2 PRO A 23 7.652 14.294 -1.509 1.00 0.00 H new ATOM 0 HB3 PRO A 23 7.214 12.752 -2.218 1.00 0.00 H new ATOM 0 HG2 PRO A 23 5.495 14.678 -0.665 1.00 0.00 H new ATOM 0 HG3 PRO A 23 5.107 13.786 -2.123 1.00 0.00 H new ATOM 0 HD2 PRO A 23 4.254 12.957 0.326 1.00 0.00 H new ATOM 0 HD3 PRO A 23 4.622 11.814 -0.951 1.00 0.00 H new ATOM 311 N GLU A 24 7.250 14.546 1.479 1.00 0.00 N ATOM 312 CA GLU A 24 7.712 15.547 2.433 1.00 0.00 C ATOM 313 C GLU A 24 8.297 14.883 3.677 1.00 0.00 C ATOM 314 O GLU A 24 8.905 15.543 4.520 1.00 0.00 O ATOM 315 CB GLU A 24 6.563 16.476 2.830 1.00 0.00 C ATOM 316 CG GLU A 24 5.203 15.800 2.823 1.00 0.00 C ATOM 317 CD GLU A 24 4.228 16.440 3.792 1.00 0.00 C ATOM 318 OE1 GLU A 24 3.811 17.589 3.540 1.00 0.00 O ATOM 319 OE2 GLU A 24 3.884 15.792 4.802 1.00 0.00 O ATOM 0 H GLU A 24 6.249 14.580 1.284 1.00 0.00 H new ATOM 0 HA GLU A 24 8.494 16.135 1.953 1.00 0.00 H new ATOM 0 HB2 GLU A 24 6.756 16.874 3.826 1.00 0.00 H new ATOM 0 HB3 GLU A 24 6.541 17.325 2.147 1.00 0.00 H new ATOM 0 HG2 GLU A 24 4.787 15.839 1.816 1.00 0.00 H new ATOM 0 HG3 GLU A 24 5.324 14.747 3.077 1.00 0.00 H new ATOM 326 N THR A 25 8.106 13.572 3.786 1.00 0.00 N ATOM 327 CA THR A 25 8.611 12.818 4.926 1.00 0.00 C ATOM 328 C THR A 25 9.509 11.672 4.474 1.00 0.00 C ATOM 329 O THR A 25 10.304 11.149 5.253 1.00 0.00 O ATOM 330 CB THR A 25 7.462 12.249 5.778 1.00 0.00 C ATOM 331 OG1 THR A 25 7.024 10.997 5.237 1.00 0.00 O ATOM 332 CG2 THR A 25 6.292 13.222 5.828 1.00 0.00 C ATOM 0 H THR A 25 7.605 13.010 3.098 1.00 0.00 H new ATOM 0 HA THR A 25 9.192 13.514 5.531 1.00 0.00 H new ATOM 0 HB THR A 25 7.832 12.097 6.792 1.00 0.00 H new ATOM 0 HG1 THR A 25 6.294 10.641 5.786 1.00 0.00 H new ATOM 0 HG21 THR A 25 5.492 12.798 6.435 1.00 0.00 H new ATOM 0 HG22 THR A 25 6.621 14.164 6.267 1.00 0.00 H new ATOM 0 HG23 THR A 25 5.924 13.401 4.818 1.00 0.00 H new ATOM 340 N ASN A 26 9.375 11.286 3.209 1.00 0.00 N ATOM 341 CA ASN A 26 10.175 10.200 2.653 1.00 0.00 C ATOM 342 C ASN A 26 11.636 10.330 3.073 1.00 0.00 C ATOM 343 O ASN A 26 12.185 11.431 3.114 1.00 0.00 O ATOM 344 CB ASN A 26 10.070 10.193 1.126 1.00 0.00 C ATOM 345 CG ASN A 26 10.775 9.003 0.504 1.00 0.00 C ATOM 346 OD1 ASN A 26 11.646 8.389 1.124 1.00 0.00 O ATOM 347 ND2 ASN A 26 10.403 8.671 -0.726 1.00 0.00 N ATOM 0 H ASN A 26 8.721 11.708 2.550 1.00 0.00 H new ATOM 0 HA ASN A 26 9.786 9.259 3.042 1.00 0.00 H new ATOM 0 HB2 ASN A 26 9.019 10.181 0.837 1.00 0.00 H new ATOM 0 HB3 ASN A 26 10.499 11.114 0.731 1.00 0.00 H new ATOM 0 HD21 ASN A 26 10.843 7.879 -1.196 1.00 0.00 H new ATOM 0 HD22 ASN A 26 9.678 9.207 -1.202 1.00 0.00 H new ATOM 354 N SER A 27 12.260 9.198 3.384 1.00 0.00 N ATOM 355 CA SER A 27 13.656 9.185 3.804 1.00 0.00 C ATOM 356 C SER A 27 14.362 7.929 3.303 1.00 0.00 C ATOM 357 O SER A 27 13.733 7.032 2.742 1.00 0.00 O ATOM 358 CB SER A 27 13.752 9.264 5.329 1.00 0.00 C ATOM 359 OG SER A 27 12.903 10.277 5.841 1.00 0.00 O ATOM 0 H SER A 27 11.820 8.278 3.353 1.00 0.00 H new ATOM 0 HA SER A 27 14.149 10.055 3.370 1.00 0.00 H new ATOM 0 HB2 SER A 27 13.480 8.302 5.764 1.00 0.00 H new ATOM 0 HB3 SER A 27 14.782 9.466 5.622 1.00 0.00 H new ATOM 0 HG SER A 27 12.981 10.307 6.817 1.00 0.00 H new ATOM 365 N ASP A 28 15.674 7.873 3.510 1.00 0.00 N ATOM 366 CA ASP A 28 16.466 6.727 3.081 1.00 0.00 C ATOM 367 C ASP A 28 16.173 5.507 3.948 1.00 0.00 C ATOM 368 O ASP A 28 16.643 4.405 3.667 1.00 0.00 O ATOM 369 CB ASP A 28 17.958 7.062 3.138 1.00 0.00 C ATOM 370 CG ASP A 28 18.775 6.232 2.168 1.00 0.00 C ATOM 371 OD1 ASP A 28 18.541 5.008 2.091 1.00 0.00 O ATOM 372 OD2 ASP A 28 19.652 6.806 1.487 1.00 0.00 O ATOM 0 H ASP A 28 16.210 8.608 3.972 1.00 0.00 H new ATOM 0 HA ASP A 28 16.192 6.492 2.052 1.00 0.00 H new ATOM 0 HB2 ASP A 28 18.099 8.120 2.915 1.00 0.00 H new ATOM 0 HB3 ASP A 28 18.326 6.898 4.151 1.00 0.00 H new ATOM 377 N ASP A 29 15.393 5.713 5.004 1.00 0.00 N ATOM 378 CA ASP A 29 15.036 4.630 5.913 1.00 0.00 C ATOM 379 C ASP A 29 13.536 4.627 6.193 1.00 0.00 C ATOM 380 O ASP A 29 13.104 4.343 7.309 1.00 0.00 O ATOM 381 CB ASP A 29 15.812 4.760 7.225 1.00 0.00 C ATOM 382 CG ASP A 29 15.444 6.015 7.993 1.00 0.00 C ATOM 383 OD1 ASP A 29 15.252 7.068 7.350 1.00 0.00 O ATOM 384 OD2 ASP A 29 15.351 5.944 9.236 1.00 0.00 O ATOM 0 H ASP A 29 14.996 6.620 5.251 1.00 0.00 H new ATOM 0 HA ASP A 29 15.300 3.686 5.436 1.00 0.00 H new ATOM 0 HB2 ASP A 29 15.617 3.886 7.847 1.00 0.00 H new ATOM 0 HB3 ASP A 29 16.881 4.768 7.012 1.00 0.00 H new ATOM 389 N ALA A 30 12.748 4.946 5.171 1.00 0.00 N ATOM 390 CA ALA A 30 11.299 4.979 5.307 1.00 0.00 C ATOM 391 C ALA A 30 10.635 3.990 4.355 1.00 0.00 C ATOM 392 O ALA A 30 9.458 3.658 4.508 1.00 0.00 O ATOM 393 CB ALA A 30 10.776 6.386 5.056 1.00 0.00 C ATOM 0 H ALA A 30 13.090 5.185 4.240 1.00 0.00 H new ATOM 0 HA ALA A 30 11.049 4.686 6.327 1.00 0.00 H new ATOM 0 HB1 ALA A 30 9.691 6.395 5.161 1.00 0.00 H new ATOM 0 HB2 ALA A 30 11.216 7.072 5.779 1.00 0.00 H new ATOM 0 HB3 ALA A 30 11.045 6.700 4.047 1.00 0.00 H new ATOM 399 N CYS A 31 11.396 3.521 3.371 1.00 0.00 N ATOM 400 CA CYS A 31 10.882 2.570 2.393 1.00 0.00 C ATOM 401 C CYS A 31 11.637 1.246 2.473 1.00 0.00 C ATOM 402 O CYS A 31 12.868 1.218 2.463 1.00 0.00 O ATOM 403 CB CYS A 31 10.994 3.148 0.981 1.00 0.00 C ATOM 404 SG CYS A 31 10.559 1.973 -0.341 1.00 0.00 S ATOM 0 H CYS A 31 12.371 3.785 3.230 1.00 0.00 H new ATOM 0 HA CYS A 31 9.832 2.384 2.621 1.00 0.00 H new ATOM 0 HB2 CYS A 31 10.345 4.020 0.905 1.00 0.00 H new ATOM 0 HB3 CYS A 31 12.015 3.495 0.822 1.00 0.00 H new ATOM 409 N THR A 32 10.889 0.149 2.553 1.00 0.00 N ATOM 410 CA THR A 32 11.486 -1.178 2.636 1.00 0.00 C ATOM 411 C THR A 32 11.108 -2.027 1.428 1.00 0.00 C ATOM 412 O THR A 32 9.986 -2.524 1.333 1.00 0.00 O ATOM 413 CB THR A 32 11.053 -1.909 3.920 1.00 0.00 C ATOM 414 OG1 THR A 32 10.929 -0.975 4.998 1.00 0.00 O ATOM 415 CG2 THR A 32 12.056 -2.991 4.292 1.00 0.00 C ATOM 0 H THR A 32 9.869 0.154 2.562 1.00 0.00 H new ATOM 0 HA THR A 32 12.567 -1.038 2.654 1.00 0.00 H new ATOM 0 HB THR A 32 10.087 -2.380 3.735 1.00 0.00 H new ATOM 0 HG1 THR A 32 10.652 -1.448 5.810 1.00 0.00 H new ATOM 0 HG21 THR A 32 11.728 -3.493 5.202 1.00 0.00 H new ATOM 0 HG22 THR A 32 12.125 -3.717 3.482 1.00 0.00 H new ATOM 0 HG23 THR A 32 13.034 -2.539 4.459 1.00 0.00 H new ATOM 423 N TYR A 33 12.052 -2.191 0.508 1.00 0.00 N ATOM 424 CA TYR A 33 11.816 -2.980 -0.696 1.00 0.00 C ATOM 425 C TYR A 33 12.944 -3.983 -0.919 1.00 0.00 C ATOM 426 O TYR A 33 13.854 -4.106 -0.097 1.00 0.00 O ATOM 427 CB TYR A 33 11.685 -2.064 -1.914 1.00 0.00 C ATOM 428 CG TYR A 33 12.924 -1.241 -2.188 1.00 0.00 C ATOM 429 CD1 TYR A 33 13.198 -0.095 -1.452 1.00 0.00 C ATOM 430 CD2 TYR A 33 13.820 -1.610 -3.184 1.00 0.00 C ATOM 431 CE1 TYR A 33 14.327 0.660 -1.700 1.00 0.00 C ATOM 432 CE2 TYR A 33 14.953 -0.861 -3.438 1.00 0.00 C ATOM 433 CZ TYR A 33 15.202 0.273 -2.694 1.00 0.00 C ATOM 434 OH TYR A 33 16.330 1.022 -2.943 1.00 0.00 O ATOM 0 H TYR A 33 12.987 -1.789 0.572 1.00 0.00 H new ATOM 0 HA TYR A 33 10.885 -3.531 -0.562 1.00 0.00 H new ATOM 0 HB2 TYR A 33 11.460 -2.670 -2.792 1.00 0.00 H new ATOM 0 HB3 TYR A 33 10.839 -1.393 -1.765 1.00 0.00 H new ATOM 0 HD1 TYR A 33 12.516 0.211 -0.672 1.00 0.00 H new ATOM 0 HD2 TYR A 33 13.628 -2.497 -3.769 1.00 0.00 H new ATOM 0 HE1 TYR A 33 14.524 1.549 -1.119 1.00 0.00 H new ATOM 0 HE2 TYR A 33 15.640 -1.162 -4.215 1.00 0.00 H new ATOM 0 HH TYR A 33 16.840 0.613 -3.673 1.00 0.00 H new ATOM 444 N HIS A 34 12.878 -4.699 -2.037 1.00 0.00 N ATOM 445 CA HIS A 34 13.894 -5.691 -2.371 1.00 0.00 C ATOM 446 C HIS A 34 14.618 -5.315 -3.660 1.00 0.00 C ATOM 447 O HIS A 34 14.068 -5.402 -4.758 1.00 0.00 O ATOM 448 CB HIS A 34 13.258 -7.074 -2.514 1.00 0.00 C ATOM 449 CG HIS A 34 12.613 -7.570 -1.256 1.00 0.00 C ATOM 450 ND1 HIS A 34 13.330 -8.072 -0.191 1.00 0.00 N ATOM 451 CD2 HIS A 34 11.310 -7.638 -0.896 1.00 0.00 C ATOM 452 CE1 HIS A 34 12.497 -8.428 0.770 1.00 0.00 C ATOM 453 NE2 HIS A 34 11.264 -8.175 0.367 1.00 0.00 N ATOM 0 H HIS A 34 12.132 -4.611 -2.727 1.00 0.00 H new ATOM 0 HA HIS A 34 14.623 -5.716 -1.561 1.00 0.00 H new ATOM 0 HB2 HIS A 34 12.511 -7.041 -3.307 1.00 0.00 H new ATOM 0 HB3 HIS A 34 14.022 -7.786 -2.826 1.00 0.00 H new ATOM 0 HD2 HIS A 34 10.464 -7.328 -1.491 1.00 0.00 H new ATOM 0 HE1 HIS A 34 12.776 -8.853 1.723 1.00 0.00 H new ATOM 0 HE2 HIS A 34 10.416 -8.350 0.906 1.00 0.00 H new ATOM 461 N PRO A 35 15.882 -4.887 -3.527 1.00 0.00 N ATOM 462 CA PRO A 35 16.708 -4.489 -4.670 1.00 0.00 C ATOM 463 C PRO A 35 17.099 -5.676 -5.543 1.00 0.00 C ATOM 464 O PRO A 35 17.757 -5.513 -6.571 1.00 0.00 O ATOM 465 CB PRO A 35 17.948 -3.875 -4.016 1.00 0.00 C ATOM 466 CG PRO A 35 18.024 -4.515 -2.673 1.00 0.00 C ATOM 467 CD PRO A 35 16.603 -4.758 -2.249 1.00 0.00 C ATOM 0 HA PRO A 35 16.180 -3.807 -5.337 1.00 0.00 H new ATOM 0 HB2 PRO A 35 18.845 -4.076 -4.602 1.00 0.00 H new ATOM 0 HB3 PRO A 35 17.857 -2.792 -3.934 1.00 0.00 H new ATOM 0 HG2 PRO A 35 18.583 -5.450 -2.717 1.00 0.00 H new ATOM 0 HG3 PRO A 35 18.538 -3.869 -1.962 1.00 0.00 H new ATOM 0 HD2 PRO A 35 16.513 -5.660 -1.644 1.00 0.00 H new ATOM 0 HD3 PRO A 35 16.216 -3.933 -1.651 1.00 0.00 H new ATOM 475 N GLY A 36 16.691 -6.871 -5.128 1.00 0.00 N ATOM 476 CA GLY A 36 17.007 -8.068 -5.884 1.00 0.00 C ATOM 477 C GLY A 36 15.896 -8.466 -6.834 1.00 0.00 C ATOM 478 O GLY A 36 15.174 -7.612 -7.351 1.00 0.00 O ATOM 0 H GLY A 36 16.147 -7.031 -4.281 1.00 0.00 H new ATOM 0 HA2 GLY A 36 17.924 -7.904 -6.451 1.00 0.00 H new ATOM 0 HA3 GLY A 36 17.201 -8.889 -5.194 1.00 0.00 H new ATOM 482 N VAL A 37 15.754 -9.768 -7.065 1.00 0.00 N ATOM 483 CA VAL A 37 14.722 -10.278 -7.959 1.00 0.00 C ATOM 484 C VAL A 37 14.045 -11.511 -7.371 1.00 0.00 C ATOM 485 O VAL A 37 14.616 -12.231 -6.552 1.00 0.00 O ATOM 486 CB VAL A 37 15.302 -10.634 -9.341 1.00 0.00 C ATOM 487 CG1 VAL A 37 15.229 -9.436 -10.276 1.00 0.00 C ATOM 488 CG2 VAL A 37 16.733 -11.129 -9.206 1.00 0.00 C ATOM 0 H VAL A 37 16.341 -10.488 -6.645 1.00 0.00 H new ATOM 0 HA VAL A 37 13.985 -9.484 -8.076 1.00 0.00 H new ATOM 0 HB VAL A 37 14.703 -11.437 -9.771 1.00 0.00 H new ATOM 0 HG11 VAL A 37 15.643 -9.707 -11.247 1.00 0.00 H new ATOM 0 HG12 VAL A 37 14.189 -9.132 -10.397 1.00 0.00 H new ATOM 0 HG13 VAL A 37 15.802 -8.610 -9.855 1.00 0.00 H new ATOM 0 HG21 VAL A 37 17.127 -11.376 -10.192 1.00 0.00 H new ATOM 0 HG22 VAL A 37 17.347 -10.349 -8.755 1.00 0.00 H new ATOM 0 HG23 VAL A 37 16.753 -12.017 -8.574 1.00 0.00 H new ATOM 498 N PRO A 38 12.799 -11.762 -7.797 1.00 0.00 N ATOM 499 CA PRO A 38 12.017 -12.909 -7.326 1.00 0.00 C ATOM 500 C PRO A 38 12.566 -14.235 -7.842 1.00 0.00 C ATOM 501 O PRO A 38 12.451 -14.546 -9.028 1.00 0.00 O ATOM 502 CB PRO A 38 10.622 -12.648 -7.900 1.00 0.00 C ATOM 503 CG PRO A 38 10.859 -11.795 -9.099 1.00 0.00 C ATOM 504 CD PRO A 38 12.056 -10.945 -8.772 1.00 0.00 C ATOM 0 HA PRO A 38 12.036 -12.997 -6.240 1.00 0.00 H new ATOM 0 HB2 PRO A 38 10.124 -13.580 -8.169 1.00 0.00 H new ATOM 0 HB3 PRO A 38 9.984 -12.143 -7.175 1.00 0.00 H new ATOM 0 HG2 PRO A 38 11.044 -12.406 -9.982 1.00 0.00 H new ATOM 0 HG3 PRO A 38 9.988 -11.176 -9.316 1.00 0.00 H new ATOM 0 HD2 PRO A 38 12.654 -10.735 -9.659 1.00 0.00 H new ATOM 0 HD3 PRO A 38 11.763 -9.984 -8.350 1.00 0.00 H new ATOM 512 N VAL A 39 13.160 -15.014 -6.944 1.00 0.00 N ATOM 513 CA VAL A 39 13.726 -16.308 -7.309 1.00 0.00 C ATOM 514 C VAL A 39 12.865 -17.451 -6.782 1.00 0.00 C ATOM 515 O VAL A 39 12.161 -17.303 -5.782 1.00 0.00 O ATOM 516 CB VAL A 39 15.158 -16.467 -6.768 1.00 0.00 C ATOM 517 CG1 VAL A 39 15.276 -15.855 -5.380 1.00 0.00 C ATOM 518 CG2 VAL A 39 15.561 -17.934 -6.748 1.00 0.00 C ATOM 0 H VAL A 39 13.262 -14.772 -5.958 1.00 0.00 H new ATOM 0 HA VAL A 39 13.751 -16.347 -8.398 1.00 0.00 H new ATOM 0 HB VAL A 39 15.839 -15.936 -7.433 1.00 0.00 H new ATOM 0 HG11 VAL A 39 16.295 -15.977 -5.014 1.00 0.00 H new ATOM 0 HG12 VAL A 39 15.033 -14.794 -5.428 1.00 0.00 H new ATOM 0 HG13 VAL A 39 14.585 -16.355 -4.702 1.00 0.00 H new ATOM 0 HG21 VAL A 39 16.576 -18.027 -6.363 1.00 0.00 H new ATOM 0 HG22 VAL A 39 14.877 -18.490 -6.107 1.00 0.00 H new ATOM 0 HG23 VAL A 39 15.519 -18.337 -7.760 1.00 0.00 H new ATOM 528 N PHE A 40 12.925 -18.591 -7.461 1.00 0.00 N ATOM 529 CA PHE A 40 12.151 -19.761 -7.063 1.00 0.00 C ATOM 530 C PHE A 40 12.997 -21.029 -7.153 1.00 0.00 C ATOM 531 O PHE A 40 13.125 -21.628 -8.221 1.00 0.00 O ATOM 532 CB PHE A 40 10.907 -19.900 -7.942 1.00 0.00 C ATOM 533 CG PHE A 40 10.386 -18.588 -8.456 1.00 0.00 C ATOM 534 CD1 PHE A 40 10.007 -17.586 -7.576 1.00 0.00 C ATOM 535 CD2 PHE A 40 10.278 -18.355 -9.817 1.00 0.00 C ATOM 536 CE1 PHE A 40 9.528 -16.378 -8.046 1.00 0.00 C ATOM 537 CE2 PHE A 40 9.799 -17.149 -10.293 1.00 0.00 C ATOM 538 CZ PHE A 40 9.424 -16.159 -9.406 1.00 0.00 C ATOM 0 H PHE A 40 13.502 -18.730 -8.290 1.00 0.00 H new ATOM 0 HA PHE A 40 11.841 -19.625 -6.027 1.00 0.00 H new ATOM 0 HB2 PHE A 40 11.140 -20.546 -8.789 1.00 0.00 H new ATOM 0 HB3 PHE A 40 10.122 -20.395 -7.371 1.00 0.00 H new ATOM 0 HD1 PHE A 40 10.087 -17.751 -6.512 1.00 0.00 H new ATOM 0 HD2 PHE A 40 10.572 -19.125 -10.515 1.00 0.00 H new ATOM 0 HE1 PHE A 40 9.235 -15.605 -7.350 1.00 0.00 H new ATOM 0 HE2 PHE A 40 9.718 -16.981 -11.357 1.00 0.00 H new ATOM 0 HZ PHE A 40 9.050 -15.215 -9.775 1.00 0.00 H new ATOM 548 N HIS A 41 13.570 -21.432 -6.024 1.00 0.00 N ATOM 549 CA HIS A 41 14.403 -22.628 -5.974 1.00 0.00 C ATOM 550 C HIS A 41 13.859 -23.626 -4.956 1.00 0.00 C ATOM 551 O HIS A 41 13.566 -23.267 -3.816 1.00 0.00 O ATOM 552 CB HIS A 41 15.844 -22.258 -5.624 1.00 0.00 C ATOM 553 CG HIS A 41 15.970 -21.480 -4.351 1.00 0.00 C ATOM 554 ND1 HIS A 41 16.751 -21.891 -3.291 1.00 0.00 N ATOM 555 CD2 HIS A 41 15.410 -20.308 -3.970 1.00 0.00 C ATOM 556 CE1 HIS A 41 16.664 -21.007 -2.314 1.00 0.00 C ATOM 557 NE2 HIS A 41 15.856 -20.036 -2.700 1.00 0.00 N ATOM 0 H HIS A 41 13.473 -20.948 -5.131 1.00 0.00 H new ATOM 0 HA HIS A 41 14.386 -23.094 -6.959 1.00 0.00 H new ATOM 0 HB2 HIS A 41 16.435 -23.170 -5.543 1.00 0.00 H new ATOM 0 HB3 HIS A 41 16.269 -21.674 -6.441 1.00 0.00 H new ATOM 0 HD1 HIS A 41 17.309 -22.745 -3.266 1.00 0.00 H new ATOM 0 HD2 HIS A 41 14.737 -19.700 -4.556 1.00 0.00 H new ATOM 0 HE1 HIS A 41 17.168 -21.068 -1.361 1.00 0.00 H new ATOM 565 N ASP A 42 13.726 -24.880 -5.377 1.00 0.00 N ATOM 566 CA ASP A 42 13.219 -25.930 -4.502 1.00 0.00 C ATOM 567 C ASP A 42 11.877 -25.530 -3.895 1.00 0.00 C ATOM 568 O ASP A 42 11.626 -25.759 -2.712 1.00 0.00 O ATOM 569 CB ASP A 42 14.226 -26.228 -3.390 1.00 0.00 C ATOM 570 CG ASP A 42 15.650 -26.308 -3.905 1.00 0.00 C ATOM 571 OD1 ASP A 42 16.153 -25.287 -4.420 1.00 0.00 O ATOM 572 OD2 ASP A 42 16.261 -27.391 -3.794 1.00 0.00 O ATOM 0 H ASP A 42 13.962 -25.193 -6.319 1.00 0.00 H new ATOM 0 HA ASP A 42 13.074 -26.829 -5.101 1.00 0.00 H new ATOM 0 HB2 ASP A 42 14.161 -25.452 -2.628 1.00 0.00 H new ATOM 0 HB3 ASP A 42 13.963 -27.170 -2.909 1.00 0.00 H new ATOM 577 N ALA A 43 11.018 -24.931 -4.714 1.00 0.00 N ATOM 578 CA ALA A 43 9.702 -24.501 -4.259 1.00 0.00 C ATOM 579 C ALA A 43 9.816 -23.353 -3.261 1.00 0.00 C ATOM 580 O ALA A 43 8.820 -22.931 -2.670 1.00 0.00 O ATOM 581 CB ALA A 43 8.950 -25.669 -3.640 1.00 0.00 C ATOM 0 H ALA A 43 11.210 -24.733 -5.696 1.00 0.00 H new ATOM 0 HA ALA A 43 9.144 -24.142 -5.124 1.00 0.00 H new ATOM 0 HB1 ALA A 43 7.969 -25.333 -3.305 1.00 0.00 H new ATOM 0 HB2 ALA A 43 8.829 -26.458 -4.382 1.00 0.00 H new ATOM 0 HB3 ALA A 43 9.512 -26.054 -2.789 1.00 0.00 H new ATOM 587 N LEU A 44 11.031 -22.853 -3.076 1.00 0.00 N ATOM 588 CA LEU A 44 11.274 -21.754 -2.148 1.00 0.00 C ATOM 589 C LEU A 44 11.365 -20.425 -2.890 1.00 0.00 C ATOM 590 O LEU A 44 12.432 -20.036 -3.364 1.00 0.00 O ATOM 591 CB LEU A 44 12.563 -22.000 -1.362 1.00 0.00 C ATOM 592 CG LEU A 44 12.830 -23.447 -0.946 1.00 0.00 C ATOM 593 CD1 LEU A 44 14.230 -23.587 -0.368 1.00 0.00 C ATOM 594 CD2 LEU A 44 11.788 -23.915 0.058 1.00 0.00 C ATOM 0 H LEU A 44 11.865 -23.191 -3.556 1.00 0.00 H new ATOM 0 HA LEU A 44 10.435 -21.705 -1.454 1.00 0.00 H new ATOM 0 HB2 LEU A 44 13.404 -21.655 -1.964 1.00 0.00 H new ATOM 0 HB3 LEU A 44 12.540 -21.383 -0.464 1.00 0.00 H new ATOM 0 HG LEU A 44 12.760 -24.078 -1.832 1.00 0.00 H new ATOM 0 HD11 LEU A 44 14.402 -24.623 -0.078 1.00 0.00 H new ATOM 0 HD12 LEU A 44 14.964 -23.294 -1.118 1.00 0.00 H new ATOM 0 HD13 LEU A 44 14.328 -22.944 0.507 1.00 0.00 H new ATOM 0 HD21 LEU A 44 11.994 -24.947 0.342 1.00 0.00 H new ATOM 0 HD22 LEU A 44 11.825 -23.280 0.943 1.00 0.00 H new ATOM 0 HD23 LEU A 44 10.797 -23.854 -0.391 1.00 0.00 H new ATOM 606 N LYS A 45 10.236 -19.730 -2.986 1.00 0.00 N ATOM 607 CA LYS A 45 10.185 -18.441 -3.667 1.00 0.00 C ATOM 608 C LYS A 45 10.699 -17.327 -2.762 1.00 0.00 C ATOM 609 O LYS A 45 10.122 -17.050 -1.712 1.00 0.00 O ATOM 610 CB LYS A 45 8.754 -18.132 -4.112 1.00 0.00 C ATOM 611 CG LYS A 45 8.068 -19.295 -4.807 1.00 0.00 C ATOM 612 CD LYS A 45 6.558 -19.127 -4.817 1.00 0.00 C ATOM 613 CE LYS A 45 5.847 -20.471 -4.808 1.00 0.00 C ATOM 614 NZ LYS A 45 5.589 -20.953 -3.423 1.00 0.00 N ATOM 0 H LYS A 45 9.343 -20.038 -2.600 1.00 0.00 H new ATOM 0 HA LYS A 45 10.828 -18.497 -4.546 1.00 0.00 H new ATOM 0 HB2 LYS A 45 8.166 -17.843 -3.241 1.00 0.00 H new ATOM 0 HB3 LYS A 45 8.769 -17.275 -4.785 1.00 0.00 H new ATOM 0 HG2 LYS A 45 8.433 -19.374 -5.831 1.00 0.00 H new ATOM 0 HG3 LYS A 45 8.328 -20.226 -4.303 1.00 0.00 H new ATOM 0 HD2 LYS A 45 6.250 -18.546 -3.948 1.00 0.00 H new ATOM 0 HD3 LYS A 45 6.260 -18.562 -5.700 1.00 0.00 H new ATOM 0 HE2 LYS A 45 4.902 -20.385 -5.345 1.00 0.00 H new ATOM 0 HE3 LYS A 45 6.451 -21.205 -5.341 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 6.198 -21.772 -3.221 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 5.798 -20.192 -2.746 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 4.591 -21.233 -3.333 1.00 0.00 H new ATOM 628 N GLY A 46 11.790 -16.689 -3.177 1.00 0.00 N ATOM 629 CA GLY A 46 12.362 -15.611 -2.391 1.00 0.00 C ATOM 630 C GLY A 46 13.021 -14.552 -3.254 1.00 0.00 C ATOM 631 O GLY A 46 12.590 -14.304 -4.380 1.00 0.00 O ATOM 0 H GLY A 46 12.287 -16.899 -4.042 1.00 0.00 H new ATOM 0 HA2 GLY A 46 11.579 -15.150 -1.789 1.00 0.00 H new ATOM 0 HA3 GLY A 46 13.097 -16.021 -1.699 1.00 0.00 H new ATOM 635 N TRP A 47 14.064 -13.925 -2.724 1.00 0.00 N ATOM 636 CA TRP A 47 14.781 -12.884 -3.453 1.00 0.00 C ATOM 637 C TRP A 47 16.288 -13.087 -3.348 1.00 0.00 C ATOM 638 O TRP A 47 16.781 -13.658 -2.375 1.00 0.00 O ATOM 639 CB TRP A 47 14.401 -11.503 -2.917 1.00 0.00 C ATOM 640 CG TRP A 47 12.929 -11.225 -2.982 1.00 0.00 C ATOM 641 CD1 TRP A 47 11.980 -11.623 -2.084 1.00 0.00 C ATOM 642 CD2 TRP A 47 12.240 -10.491 -3.999 1.00 0.00 C ATOM 643 NE1 TRP A 47 10.743 -11.180 -2.483 1.00 0.00 N ATOM 644 CE2 TRP A 47 10.875 -10.482 -3.654 1.00 0.00 C ATOM 645 CE3 TRP A 47 12.644 -9.837 -5.167 1.00 0.00 C ATOM 646 CZ2 TRP A 47 9.913 -9.847 -4.436 1.00 0.00 C ATOM 647 CZ3 TRP A 47 11.688 -9.208 -5.942 1.00 0.00 C ATOM 648 CH2 TRP A 47 10.337 -9.216 -5.573 1.00 0.00 C ATOM 0 H TRP A 47 14.433 -14.118 -1.793 1.00 0.00 H new ATOM 0 HA TRP A 47 14.497 -12.948 -4.503 1.00 0.00 H new ATOM 0 HB2 TRP A 47 14.734 -11.418 -1.883 1.00 0.00 H new ATOM 0 HB3 TRP A 47 14.933 -10.741 -3.487 1.00 0.00 H new ATOM 0 HD1 TRP A 47 12.174 -12.201 -1.192 1.00 0.00 H new ATOM 0 HE1 TRP A 47 9.867 -11.344 -1.987 1.00 0.00 H new ATOM 0 HE3 TRP A 47 13.684 -9.824 -5.458 1.00 0.00 H new ATOM 0 HZ2 TRP A 47 8.870 -9.853 -4.155 1.00 0.00 H new ATOM 0 HZ3 TRP A 47 11.988 -8.702 -6.848 1.00 0.00 H new ATOM 0 HH2 TRP A 47 9.615 -8.713 -6.199 1.00 0.00 H new ATOM 659 N SER A 48 17.017 -12.615 -4.355 1.00 0.00 N ATOM 660 CA SER A 48 18.469 -12.748 -4.377 1.00 0.00 C ATOM 661 C SER A 48 19.128 -11.631 -3.574 1.00 0.00 C ATOM 662 O SER A 48 20.347 -11.457 -3.616 1.00 0.00 O ATOM 663 CB SER A 48 18.983 -12.728 -5.818 1.00 0.00 C ATOM 664 OG SER A 48 19.078 -11.401 -6.306 1.00 0.00 O ATOM 0 H SER A 48 16.625 -12.137 -5.166 1.00 0.00 H new ATOM 0 HA SER A 48 18.729 -13.703 -3.920 1.00 0.00 H new ATOM 0 HB2 SER A 48 19.961 -13.207 -5.866 1.00 0.00 H new ATOM 0 HB3 SER A 48 18.313 -13.306 -6.455 1.00 0.00 H new ATOM 0 HG SER A 48 19.410 -11.414 -7.228 1.00 0.00 H new ATOM 670 N CYS A 49 18.316 -10.876 -2.843 1.00 0.00 N ATOM 671 CA CYS A 49 18.817 -9.775 -2.031 1.00 0.00 C ATOM 672 C CYS A 49 19.031 -10.218 -0.586 1.00 0.00 C ATOM 673 O CYS A 49 20.097 -10.003 -0.010 1.00 0.00 O ATOM 674 CB CYS A 49 17.844 -8.595 -2.075 1.00 0.00 C ATOM 675 SG CYS A 49 16.108 -9.052 -1.764 1.00 0.00 S ATOM 0 H CYS A 49 17.306 -11.007 -2.796 1.00 0.00 H new ATOM 0 HA CYS A 49 19.776 -9.461 -2.443 1.00 0.00 H new ATOM 0 HB2 CYS A 49 18.152 -7.856 -1.336 1.00 0.00 H new ATOM 0 HB3 CYS A 49 17.913 -8.117 -3.052 1.00 0.00 H new ATOM 680 N CYS A 50 18.008 -10.838 -0.006 1.00 0.00 N ATOM 681 CA CYS A 50 18.083 -11.313 1.370 1.00 0.00 C ATOM 682 C CYS A 50 18.055 -12.837 1.423 1.00 0.00 C ATOM 683 O CYS A 50 18.042 -13.505 0.389 1.00 0.00 O ATOM 684 CB CYS A 50 16.924 -10.742 2.191 1.00 0.00 C ATOM 685 SG CYS A 50 15.316 -10.782 1.336 1.00 0.00 S ATOM 0 H CYS A 50 17.118 -11.023 -0.468 1.00 0.00 H new ATOM 0 HA CYS A 50 19.026 -10.970 1.795 1.00 0.00 H new ATOM 0 HB2 CYS A 50 16.842 -11.302 3.122 1.00 0.00 H new ATOM 0 HB3 CYS A 50 17.156 -9.711 2.458 1.00 0.00 H new ATOM 690 N LYS A 51 18.045 -13.382 2.635 1.00 0.00 N ATOM 691 CA LYS A 51 18.017 -14.827 2.824 1.00 0.00 C ATOM 692 C LYS A 51 16.583 -15.329 2.978 1.00 0.00 C ATOM 693 O LYS A 51 16.316 -16.522 2.839 1.00 0.00 O ATOM 694 CB LYS A 51 18.840 -15.217 4.054 1.00 0.00 C ATOM 695 CG LYS A 51 20.158 -14.470 4.166 1.00 0.00 C ATOM 696 CD LYS A 51 20.997 -14.990 5.321 1.00 0.00 C ATOM 697 CE LYS A 51 21.826 -16.196 4.909 1.00 0.00 C ATOM 698 NZ LYS A 51 22.855 -16.536 5.930 1.00 0.00 N ATOM 0 H LYS A 51 18.056 -12.844 3.501 1.00 0.00 H new ATOM 0 HA LYS A 51 18.453 -15.292 1.940 1.00 0.00 H new ATOM 0 HB2 LYS A 51 18.249 -15.030 4.950 1.00 0.00 H new ATOM 0 HB3 LYS A 51 19.041 -16.288 4.022 1.00 0.00 H new ATOM 0 HG2 LYS A 51 20.716 -14.572 3.235 1.00 0.00 H new ATOM 0 HG3 LYS A 51 19.964 -13.407 4.306 1.00 0.00 H new ATOM 0 HD2 LYS A 51 21.656 -14.199 5.678 1.00 0.00 H new ATOM 0 HD3 LYS A 51 20.346 -15.262 6.152 1.00 0.00 H new ATOM 0 HE2 LYS A 51 21.170 -17.053 4.755 1.00 0.00 H new ATOM 0 HE3 LYS A 51 22.314 -15.993 3.955 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 23.399 -17.363 5.612 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 23.497 -15.728 6.058 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 22.389 -16.755 6.833 1.00 0.00 H new ATOM 712 N ARG A 52 15.668 -14.409 3.265 1.00 0.00 N ATOM 713 CA ARG A 52 14.264 -14.758 3.437 1.00 0.00 C ATOM 714 C ARG A 52 13.804 -15.721 2.346 1.00 0.00 C ATOM 715 O ARG A 52 14.084 -15.516 1.165 1.00 0.00 O ATOM 716 CB ARG A 52 13.396 -13.498 3.417 1.00 0.00 C ATOM 717 CG ARG A 52 11.949 -13.747 3.812 1.00 0.00 C ATOM 718 CD ARG A 52 11.854 -14.483 5.139 1.00 0.00 C ATOM 719 NE ARG A 52 12.758 -13.926 6.141 1.00 0.00 N ATOM 720 CZ ARG A 52 12.987 -14.492 7.320 1.00 0.00 C ATOM 721 NH1 ARG A 52 12.382 -15.625 7.645 1.00 0.00 N ATOM 722 NH2 ARG A 52 13.825 -13.924 8.179 1.00 0.00 N ATOM 0 H ARG A 52 15.874 -13.417 3.383 1.00 0.00 H new ATOM 0 HA ARG A 52 14.156 -15.251 4.403 1.00 0.00 H new ATOM 0 HB2 ARG A 52 13.826 -12.760 4.094 1.00 0.00 H new ATOM 0 HB3 ARG A 52 13.421 -13.066 2.417 1.00 0.00 H new ATOM 0 HG2 ARG A 52 11.421 -12.796 3.883 1.00 0.00 H new ATOM 0 HG3 ARG A 52 11.453 -14.329 3.035 1.00 0.00 H new ATOM 0 HD2 ARG A 52 10.830 -14.434 5.508 1.00 0.00 H new ATOM 0 HD3 ARG A 52 12.087 -15.537 4.986 1.00 0.00 H new ATOM 0 HE ARG A 52 13.240 -13.054 5.923 1.00 0.00 H new ATOM 0 HH11 ARG A 52 11.738 -16.066 6.988 1.00 0.00 H new ATOM 0 HH12 ARG A 52 12.561 -16.057 8.552 1.00 0.00 H new ATOM 0 HH21 ARG A 52 14.294 -13.052 7.933 1.00 0.00 H new ATOM 0 HH22 ARG A 52 14.000 -14.360 9.084 1.00 0.00 H new ATOM 736 N ARG A 53 13.098 -16.773 2.750 1.00 0.00 N ATOM 737 CA ARG A 53 12.604 -17.768 1.807 1.00 0.00 C ATOM 738 C ARG A 53 11.347 -18.448 2.345 1.00 0.00 C ATOM 739 O ARG A 53 11.264 -18.777 3.528 1.00 0.00 O ATOM 740 CB ARG A 53 13.681 -18.816 1.525 1.00 0.00 C ATOM 741 CG ARG A 53 13.656 -19.348 0.101 1.00 0.00 C ATOM 742 CD ARG A 53 14.411 -18.432 -0.849 1.00 0.00 C ATOM 743 NE ARG A 53 15.856 -18.516 -0.657 1.00 0.00 N ATOM 744 CZ ARG A 53 16.714 -17.610 -1.116 1.00 0.00 C ATOM 745 NH1 ARG A 53 16.271 -16.557 -1.789 1.00 0.00 N ATOM 746 NH2 ARG A 53 18.014 -17.756 -0.901 1.00 0.00 N ATOM 0 H ARG A 53 12.856 -16.957 3.724 1.00 0.00 H new ATOM 0 HA ARG A 53 12.353 -17.257 0.877 1.00 0.00 H new ATOM 0 HB2 ARG A 53 14.660 -18.381 1.724 1.00 0.00 H new ATOM 0 HB3 ARG A 53 13.556 -19.649 2.217 1.00 0.00 H new ATOM 0 HG2 ARG A 53 14.098 -20.344 0.076 1.00 0.00 H new ATOM 0 HG3 ARG A 53 12.623 -19.449 -0.233 1.00 0.00 H new ATOM 0 HD2 ARG A 53 14.166 -18.696 -1.878 1.00 0.00 H new ATOM 0 HD3 ARG A 53 14.084 -17.403 -0.697 1.00 0.00 H new ATOM 0 HE ARG A 53 16.228 -19.314 -0.142 1.00 0.00 H new ATOM 0 HH11 ARG A 53 15.271 -16.441 -1.955 1.00 0.00 H new ATOM 0 HH12 ARG A 53 16.930 -15.862 -2.141 1.00 0.00 H new ATOM 0 HH21 ARG A 53 18.358 -18.565 -0.383 1.00 0.00 H new ATOM 0 HH22 ARG A 53 18.671 -17.060 -1.254 1.00 0.00 H new ATOM 760 N THR A 54 10.370 -18.654 1.467 1.00 0.00 N ATOM 761 CA THR A 54 9.117 -19.292 1.852 1.00 0.00 C ATOM 762 C THR A 54 8.599 -20.201 0.744 1.00 0.00 C ATOM 763 O THR A 54 8.819 -19.942 -0.440 1.00 0.00 O ATOM 764 CB THR A 54 8.037 -18.249 2.193 1.00 0.00 C ATOM 765 OG1 THR A 54 6.778 -18.897 2.399 1.00 0.00 O ATOM 766 CG2 THR A 54 7.908 -17.221 1.079 1.00 0.00 C ATOM 0 H THR A 54 10.423 -18.388 0.484 1.00 0.00 H new ATOM 0 HA THR A 54 9.327 -19.890 2.739 1.00 0.00 H new ATOM 0 HB THR A 54 8.334 -17.736 3.107 1.00 0.00 H new ATOM 0 HG1 THR A 54 6.409 -18.628 3.266 1.00 0.00 H new ATOM 0 HG21 THR A 54 7.139 -16.494 1.342 1.00 0.00 H new ATOM 0 HG22 THR A 54 8.861 -16.709 0.944 1.00 0.00 H new ATOM 0 HG23 THR A 54 7.631 -17.722 0.151 1.00 0.00 H new ATOM 774 N THR A 55 7.908 -21.267 1.133 1.00 0.00 N ATOM 775 CA THR A 55 7.358 -22.215 0.172 1.00 0.00 C ATOM 776 C THR A 55 5.950 -21.813 -0.252 1.00 0.00 C ATOM 777 O THR A 55 5.452 -22.257 -1.287 1.00 0.00 O ATOM 778 CB THR A 55 7.319 -23.642 0.749 1.00 0.00 C ATOM 779 OG1 THR A 55 6.892 -23.607 2.116 1.00 0.00 O ATOM 780 CG2 THR A 55 8.688 -24.300 0.658 1.00 0.00 C ATOM 0 H THR A 55 7.716 -21.496 2.108 1.00 0.00 H new ATOM 0 HA THR A 55 8.015 -22.200 -0.697 1.00 0.00 H new ATOM 0 HB THR A 55 6.611 -24.228 0.162 1.00 0.00 H new ATOM 0 HG1 THR A 55 6.868 -24.519 2.475 1.00 0.00 H new ATOM 0 HG21 THR A 55 8.636 -25.307 1.072 1.00 0.00 H new ATOM 0 HG22 THR A 55 8.998 -24.352 -0.386 1.00 0.00 H new ATOM 0 HG23 THR A 55 9.412 -23.713 1.223 1.00 0.00 H new ATOM 788 N ASP A 56 5.313 -20.969 0.552 1.00 0.00 N ATOM 789 CA ASP A 56 3.962 -20.505 0.258 1.00 0.00 C ATOM 790 C ASP A 56 3.986 -19.365 -0.755 1.00 0.00 C ATOM 791 O ASP A 56 4.651 -18.349 -0.546 1.00 0.00 O ATOM 792 CB ASP A 56 3.266 -20.049 1.542 1.00 0.00 C ATOM 793 CG ASP A 56 1.759 -20.191 1.465 1.00 0.00 C ATOM 794 OD1 ASP A 56 1.137 -19.482 0.647 1.00 0.00 O ATOM 795 OD2 ASP A 56 1.200 -21.012 2.224 1.00 0.00 O ATOM 0 H ASP A 56 5.710 -20.592 1.412 1.00 0.00 H new ATOM 0 HA ASP A 56 3.405 -21.337 -0.173 1.00 0.00 H new ATOM 0 HB2 ASP A 56 3.641 -20.634 2.382 1.00 0.00 H new ATOM 0 HB3 ASP A 56 3.520 -19.008 1.740 1.00 0.00 H new ATOM 800 N PHE A 57 3.259 -19.540 -1.853 1.00 0.00 N ATOM 801 CA PHE A 57 3.200 -18.526 -2.900 1.00 0.00 C ATOM 802 C PHE A 57 2.735 -17.187 -2.334 1.00 0.00 C ATOM 803 O PHE A 57 3.123 -16.126 -2.823 1.00 0.00 O ATOM 804 CB PHE A 57 2.259 -18.974 -4.019 1.00 0.00 C ATOM 805 CG PHE A 57 1.900 -17.874 -4.978 1.00 0.00 C ATOM 806 CD1 PHE A 57 2.887 -17.193 -5.671 1.00 0.00 C ATOM 807 CD2 PHE A 57 0.576 -17.521 -5.185 1.00 0.00 C ATOM 808 CE1 PHE A 57 2.561 -16.180 -6.553 1.00 0.00 C ATOM 809 CE2 PHE A 57 0.244 -16.509 -6.066 1.00 0.00 C ATOM 810 CZ PHE A 57 1.238 -15.839 -6.751 1.00 0.00 C ATOM 0 H PHE A 57 2.703 -20.374 -2.041 1.00 0.00 H new ATOM 0 HA PHE A 57 4.203 -18.400 -3.307 1.00 0.00 H new ATOM 0 HB2 PHE A 57 2.727 -19.789 -4.572 1.00 0.00 H new ATOM 0 HB3 PHE A 57 1.346 -19.372 -3.577 1.00 0.00 H new ATOM 0 HD1 PHE A 57 3.923 -17.457 -5.520 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -0.205 -18.042 -4.652 1.00 0.00 H new ATOM 0 HE1 PHE A 57 3.340 -15.656 -7.087 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -0.792 -16.243 -6.218 1.00 0.00 H new ATOM 0 HZ PHE A 57 0.981 -15.049 -7.441 1.00 0.00 H new ATOM 820 N SER A 58 1.901 -17.245 -1.301 1.00 0.00 N ATOM 821 CA SER A 58 1.380 -16.038 -0.671 1.00 0.00 C ATOM 822 C SER A 58 2.458 -15.349 0.159 1.00 0.00 C ATOM 823 O SER A 58 2.818 -14.200 -0.100 1.00 0.00 O ATOM 824 CB SER A 58 0.179 -16.377 0.214 1.00 0.00 C ATOM 825 OG SER A 58 -0.563 -15.213 0.536 1.00 0.00 O ATOM 0 H SER A 58 1.572 -18.115 -0.883 1.00 0.00 H new ATOM 0 HA SER A 58 1.061 -15.356 -1.459 1.00 0.00 H new ATOM 0 HB2 SER A 58 -0.464 -17.092 -0.299 1.00 0.00 H new ATOM 0 HB3 SER A 58 0.523 -16.858 1.130 1.00 0.00 H new ATOM 0 HG SER A 58 -1.326 -15.457 1.101 1.00 0.00 H new ATOM 831 N ASP A 59 2.971 -16.059 1.158 1.00 0.00 N ATOM 832 CA ASP A 59 4.009 -15.517 2.027 1.00 0.00 C ATOM 833 C ASP A 59 5.106 -14.842 1.208 1.00 0.00 C ATOM 834 O ASP A 59 5.646 -13.810 1.607 1.00 0.00 O ATOM 835 CB ASP A 59 4.611 -16.627 2.890 1.00 0.00 C ATOM 836 CG ASP A 59 5.370 -16.084 4.086 1.00 0.00 C ATOM 837 OD1 ASP A 59 4.726 -15.810 5.120 1.00 0.00 O ATOM 838 OD2 ASP A 59 6.606 -15.931 3.986 1.00 0.00 O ATOM 0 H ASP A 59 2.685 -17.011 1.386 1.00 0.00 H new ATOM 0 HA ASP A 59 3.552 -14.769 2.675 1.00 0.00 H new ATOM 0 HB2 ASP A 59 3.815 -17.285 3.237 1.00 0.00 H new ATOM 0 HB3 ASP A 59 5.283 -17.232 2.281 1.00 0.00 H new ATOM 843 N PHE A 60 5.429 -15.431 0.061 1.00 0.00 N ATOM 844 CA PHE A 60 6.462 -14.888 -0.813 1.00 0.00 C ATOM 845 C PHE A 60 6.226 -13.404 -1.077 1.00 0.00 C ATOM 846 O PHE A 60 7.165 -12.607 -1.092 1.00 0.00 O ATOM 847 CB PHE A 60 6.493 -15.654 -2.137 1.00 0.00 C ATOM 848 CG PHE A 60 7.014 -14.841 -3.288 1.00 0.00 C ATOM 849 CD1 PHE A 60 8.378 -14.688 -3.483 1.00 0.00 C ATOM 850 CD2 PHE A 60 6.141 -14.231 -4.174 1.00 0.00 C ATOM 851 CE1 PHE A 60 8.860 -13.940 -4.540 1.00 0.00 C ATOM 852 CE2 PHE A 60 6.618 -13.482 -5.233 1.00 0.00 C ATOM 853 CZ PHE A 60 7.979 -13.337 -5.417 1.00 0.00 C ATOM 0 H PHE A 60 4.990 -16.284 -0.285 1.00 0.00 H new ATOM 0 HA PHE A 60 7.423 -15.002 -0.312 1.00 0.00 H new ATOM 0 HB2 PHE A 60 7.114 -16.542 -2.019 1.00 0.00 H new ATOM 0 HB3 PHE A 60 5.486 -15.998 -2.372 1.00 0.00 H new ATOM 0 HD1 PHE A 60 9.071 -15.158 -2.801 1.00 0.00 H new ATOM 0 HD2 PHE A 60 5.076 -14.342 -4.036 1.00 0.00 H new ATOM 0 HE1 PHE A 60 9.925 -13.827 -4.681 1.00 0.00 H new ATOM 0 HE2 PHE A 60 5.927 -13.010 -5.916 1.00 0.00 H new ATOM 0 HZ PHE A 60 8.354 -12.753 -6.245 1.00 0.00 H new ATOM 863 N LEU A 61 4.964 -13.039 -1.285 1.00 0.00 N ATOM 864 CA LEU A 61 4.603 -11.651 -1.549 1.00 0.00 C ATOM 865 C LEU A 61 4.587 -10.838 -0.258 1.00 0.00 C ATOM 866 O LEU A 61 4.535 -9.608 -0.288 1.00 0.00 O ATOM 867 CB LEU A 61 3.234 -11.580 -2.227 1.00 0.00 C ATOM 868 CG LEU A 61 3.014 -12.540 -3.397 1.00 0.00 C ATOM 869 CD1 LEU A 61 1.530 -12.787 -3.613 1.00 0.00 C ATOM 870 CD2 LEU A 61 3.655 -11.993 -4.664 1.00 0.00 C ATOM 0 H LEU A 61 4.175 -13.685 -1.276 1.00 0.00 H new ATOM 0 HA LEU A 61 5.354 -11.226 -2.215 1.00 0.00 H new ATOM 0 HB2 LEU A 61 2.468 -11.773 -1.476 1.00 0.00 H new ATOM 0 HB3 LEU A 61 3.080 -10.562 -2.585 1.00 0.00 H new ATOM 0 HG LEU A 61 3.488 -13.491 -3.155 1.00 0.00 H new ATOM 0 HD11 LEU A 61 1.393 -13.472 -4.449 1.00 0.00 H new ATOM 0 HD12 LEU A 61 1.099 -13.223 -2.712 1.00 0.00 H new ATOM 0 HD13 LEU A 61 1.032 -11.843 -3.833 1.00 0.00 H new ATOM 0 HD21 LEU A 61 3.488 -12.689 -5.486 1.00 0.00 H new ATOM 0 HD22 LEU A 61 3.210 -11.029 -4.910 1.00 0.00 H new ATOM 0 HD23 LEU A 61 4.726 -11.869 -4.505 1.00 0.00 H new ATOM 882 N SER A 62 4.632 -11.533 0.874 1.00 0.00 N ATOM 883 CA SER A 62 4.620 -10.876 2.175 1.00 0.00 C ATOM 884 C SER A 62 6.035 -10.507 2.610 1.00 0.00 C ATOM 885 O SER A 62 6.241 -9.517 3.313 1.00 0.00 O ATOM 886 CB SER A 62 3.972 -11.784 3.223 1.00 0.00 C ATOM 887 OG SER A 62 3.319 -11.022 4.224 1.00 0.00 O ATOM 0 H SER A 62 4.677 -12.551 0.916 1.00 0.00 H new ATOM 0 HA SER A 62 4.035 -9.960 2.087 1.00 0.00 H new ATOM 0 HB2 SER A 62 3.254 -12.447 2.740 1.00 0.00 H new ATOM 0 HB3 SER A 62 4.732 -12.416 3.681 1.00 0.00 H new ATOM 0 HG SER A 62 2.912 -11.625 4.880 1.00 0.00 H new ATOM 893 N ILE A 63 7.005 -11.310 2.188 1.00 0.00 N ATOM 894 CA ILE A 63 8.401 -11.068 2.532 1.00 0.00 C ATOM 895 C ILE A 63 8.694 -9.574 2.619 1.00 0.00 C ATOM 896 O ILE A 63 8.845 -8.900 1.600 1.00 0.00 O ATOM 897 CB ILE A 63 9.353 -11.709 1.505 1.00 0.00 C ATOM 898 CG1 ILE A 63 9.215 -13.232 1.530 1.00 0.00 C ATOM 899 CG2 ILE A 63 10.790 -11.297 1.787 1.00 0.00 C ATOM 900 CD1 ILE A 63 9.810 -13.913 0.317 1.00 0.00 C ATOM 0 H ILE A 63 6.850 -12.134 1.607 1.00 0.00 H new ATOM 0 HA ILE A 63 8.571 -11.526 3.506 1.00 0.00 H new ATOM 0 HB ILE A 63 9.082 -11.355 0.510 1.00 0.00 H new ATOM 0 HG12 ILE A 63 9.699 -13.618 2.427 1.00 0.00 H new ATOM 0 HG13 ILE A 63 8.159 -13.492 1.601 1.00 0.00 H new ATOM 0 HG21 ILE A 63 11.451 -11.758 1.053 1.00 0.00 H new ATOM 0 HG22 ILE A 63 10.877 -10.212 1.723 1.00 0.00 H new ATOM 0 HG23 ILE A 63 11.073 -11.625 2.787 1.00 0.00 H new ATOM 0 HD11 ILE A 63 9.676 -14.991 0.403 1.00 0.00 H new ATOM 0 HD12 ILE A 63 9.310 -13.555 -0.583 1.00 0.00 H new ATOM 0 HD13 ILE A 63 10.874 -13.683 0.256 1.00 0.00 H new ATOM 912 N VAL A 64 8.778 -9.063 3.843 1.00 0.00 N ATOM 913 CA VAL A 64 9.056 -7.649 4.064 1.00 0.00 C ATOM 914 C VAL A 64 10.413 -7.261 3.489 1.00 0.00 C ATOM 915 O VAL A 64 11.390 -7.996 3.626 1.00 0.00 O ATOM 916 CB VAL A 64 9.026 -7.298 5.563 1.00 0.00 C ATOM 917 CG1 VAL A 64 9.146 -5.795 5.763 1.00 0.00 C ATOM 918 CG2 VAL A 64 7.757 -7.832 6.209 1.00 0.00 C ATOM 0 H VAL A 64 8.657 -9.607 4.697 1.00 0.00 H new ATOM 0 HA VAL A 64 8.274 -7.088 3.553 1.00 0.00 H new ATOM 0 HB VAL A 64 9.880 -7.772 6.047 1.00 0.00 H new ATOM 0 HG11 VAL A 64 9.123 -5.567 6.829 1.00 0.00 H new ATOM 0 HG12 VAL A 64 10.087 -5.445 5.337 1.00 0.00 H new ATOM 0 HG13 VAL A 64 8.315 -5.294 5.267 1.00 0.00 H new ATOM 0 HG21 VAL A 64 7.752 -7.575 7.268 1.00 0.00 H new ATOM 0 HG22 VAL A 64 6.887 -7.388 5.724 1.00 0.00 H new ATOM 0 HG23 VAL A 64 7.721 -8.916 6.098 1.00 0.00 H new ATOM 928 N GLY A 65 10.467 -6.099 2.845 1.00 0.00 N ATOM 929 CA GLY A 65 11.710 -5.632 2.259 1.00 0.00 C ATOM 930 C GLY A 65 12.882 -5.750 3.214 1.00 0.00 C ATOM 931 O GLY A 65 12.734 -5.544 4.419 1.00 0.00 O ATOM 0 H GLY A 65 9.672 -5.473 2.719 1.00 0.00 H new ATOM 0 HA2 GLY A 65 11.921 -6.206 1.357 1.00 0.00 H new ATOM 0 HA3 GLY A 65 11.596 -4.591 1.955 1.00 0.00 H new ATOM 935 N CYS A 66 14.049 -6.086 2.676 1.00 0.00 N ATOM 936 CA CYS A 66 15.252 -6.234 3.488 1.00 0.00 C ATOM 937 C CYS A 66 16.122 -4.983 3.406 1.00 0.00 C ATOM 938 O CYS A 66 16.958 -4.736 4.276 1.00 0.00 O ATOM 939 CB CYS A 66 16.052 -7.456 3.033 1.00 0.00 C ATOM 940 SG CYS A 66 16.653 -7.353 1.316 1.00 0.00 S ATOM 0 H CYS A 66 14.188 -6.261 1.681 1.00 0.00 H new ATOM 0 HA CYS A 66 14.945 -6.374 4.525 1.00 0.00 H new ATOM 0 HB2 CYS A 66 16.905 -7.587 3.698 1.00 0.00 H new ATOM 0 HB3 CYS A 66 15.429 -8.344 3.136 1.00 0.00 H new ATOM 945 N THR A 67 15.918 -4.196 2.355 1.00 0.00 N ATOM 946 CA THR A 67 16.684 -2.971 2.158 1.00 0.00 C ATOM 947 C THR A 67 15.877 -1.746 2.574 1.00 0.00 C ATOM 948 O THR A 67 14.656 -1.812 2.718 1.00 0.00 O ATOM 949 CB THR A 67 17.118 -2.810 0.689 1.00 0.00 C ATOM 950 OG1 THR A 67 17.914 -3.931 0.288 1.00 0.00 O ATOM 951 CG2 THR A 67 17.910 -1.525 0.496 1.00 0.00 C ATOM 0 H THR A 67 15.229 -4.385 1.627 1.00 0.00 H new ATOM 0 HA THR A 67 17.572 -3.049 2.785 1.00 0.00 H new ATOM 0 HB THR A 67 16.221 -2.762 0.072 1.00 0.00 H new ATOM 0 HG1 THR A 67 18.843 -3.645 0.164 1.00 0.00 H new ATOM 0 HG21 THR A 67 18.206 -1.433 -0.549 1.00 0.00 H new ATOM 0 HG22 THR A 67 17.292 -0.671 0.775 1.00 0.00 H new ATOM 0 HG23 THR A 67 18.801 -1.549 1.124 1.00 0.00 H new ATOM 959 N LYS A 68 16.567 -0.627 2.767 1.00 0.00 N ATOM 960 CA LYS A 68 15.917 0.615 3.166 1.00 0.00 C ATOM 961 C LYS A 68 16.278 1.749 2.212 1.00 0.00 C ATOM 962 O LYS A 68 17.396 1.814 1.705 1.00 0.00 O ATOM 963 CB LYS A 68 16.316 0.990 4.595 1.00 0.00 C ATOM 964 CG LYS A 68 15.497 0.283 5.661 1.00 0.00 C ATOM 965 CD LYS A 68 14.215 1.037 5.970 1.00 0.00 C ATOM 966 CE LYS A 68 13.436 0.374 7.096 1.00 0.00 C ATOM 967 NZ LYS A 68 13.667 -1.097 7.139 1.00 0.00 N ATOM 0 H LYS A 68 17.578 -0.555 2.653 1.00 0.00 H new ATOM 0 HA LYS A 68 14.839 0.459 3.127 1.00 0.00 H new ATOM 0 HB2 LYS A 68 17.370 0.754 4.743 1.00 0.00 H new ATOM 0 HB3 LYS A 68 16.210 2.067 4.722 1.00 0.00 H new ATOM 0 HG2 LYS A 68 15.255 -0.726 5.326 1.00 0.00 H new ATOM 0 HG3 LYS A 68 16.090 0.183 6.570 1.00 0.00 H new ATOM 0 HD2 LYS A 68 14.453 2.064 6.247 1.00 0.00 H new ATOM 0 HD3 LYS A 68 13.594 1.084 5.075 1.00 0.00 H new ATOM 0 HE2 LYS A 68 13.728 0.816 8.049 1.00 0.00 H new ATOM 0 HE3 LYS A 68 12.372 0.571 6.966 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 12.943 -1.545 7.736 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 13.610 -1.486 6.176 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 14.609 -1.289 7.535 1.00 0.00 H new ATOM 981 N GLY A 69 15.321 2.642 1.972 1.00 0.00 N ATOM 982 CA GLY A 69 15.559 3.762 1.081 1.00 0.00 C ATOM 983 C GLY A 69 14.349 4.665 0.948 1.00 0.00 C ATOM 984 O GLY A 69 13.559 4.796 1.883 1.00 0.00 O ATOM 0 H GLY A 69 14.386 2.609 2.379 1.00 0.00 H new ATOM 0 HA2 GLY A 69 16.403 4.344 1.451 1.00 0.00 H new ATOM 0 HA3 GLY A 69 15.838 3.386 0.097 1.00 0.00 H new ATOM 988 N ARG A 70 14.205 5.291 -0.215 1.00 0.00 N ATOM 989 CA ARG A 70 13.083 6.189 -0.465 1.00 0.00 C ATOM 990 C ARG A 70 12.108 5.576 -1.465 1.00 0.00 C ATOM 991 O ARG A 70 12.502 5.149 -2.551 1.00 0.00 O ATOM 992 CB ARG A 70 13.587 7.536 -0.988 1.00 0.00 C ATOM 993 CG ARG A 70 14.863 8.012 -0.313 1.00 0.00 C ATOM 994 CD ARG A 70 15.259 9.401 -0.788 1.00 0.00 C ATOM 995 NE ARG A 70 16.027 9.358 -2.030 1.00 0.00 N ATOM 996 CZ ARG A 70 16.160 10.396 -2.848 1.00 0.00 C ATOM 997 NH1 ARG A 70 15.580 11.552 -2.557 1.00 0.00 N ATOM 998 NH2 ARG A 70 16.875 10.278 -3.960 1.00 0.00 N ATOM 0 H ARG A 70 14.850 5.193 -0.999 1.00 0.00 H new ATOM 0 HA ARG A 70 12.559 6.346 0.478 1.00 0.00 H new ATOM 0 HB2 ARG A 70 13.761 7.457 -2.061 1.00 0.00 H new ATOM 0 HB3 ARG A 70 12.809 8.286 -0.845 1.00 0.00 H new ATOM 0 HG2 ARG A 70 14.722 8.022 0.768 1.00 0.00 H new ATOM 0 HG3 ARG A 70 15.670 7.310 -0.523 1.00 0.00 H new ATOM 0 HD2 ARG A 70 14.362 10.002 -0.937 1.00 0.00 H new ATOM 0 HD3 ARG A 70 15.848 9.894 -0.015 1.00 0.00 H new ATOM 0 HE ARG A 70 16.486 8.483 -2.283 1.00 0.00 H new ATOM 0 HH11 ARG A 70 15.030 11.646 -1.703 1.00 0.00 H new ATOM 0 HH12 ARG A 70 15.684 12.347 -3.187 1.00 0.00 H new ATOM 0 HH21 ARG A 70 17.323 9.390 -4.187 1.00 0.00 H new ATOM 0 HH22 ARG A 70 16.977 11.075 -4.588 1.00 0.00 H new ATOM 1012 N HIS A 71 10.833 5.535 -1.092 1.00 0.00 N ATOM 1013 CA HIS A 71 9.800 4.973 -1.956 1.00 0.00 C ATOM 1014 C HIS A 71 9.932 5.510 -3.378 1.00 0.00 C ATOM 1015 O HIS A 71 10.205 6.692 -3.583 1.00 0.00 O ATOM 1016 CB HIS A 71 8.412 5.296 -1.404 1.00 0.00 C ATOM 1017 CG HIS A 71 8.215 4.858 0.015 1.00 0.00 C ATOM 1018 ND1 HIS A 71 7.649 3.648 0.357 1.00 0.00 N ATOM 1019 CD2 HIS A 71 8.516 5.475 1.182 1.00 0.00 C ATOM 1020 CE1 HIS A 71 7.608 3.540 1.673 1.00 0.00 C ATOM 1021 NE2 HIS A 71 8.127 4.636 2.198 1.00 0.00 N ATOM 0 H HIS A 71 10.490 5.884 -0.197 1.00 0.00 H new ATOM 0 HA HIS A 71 9.930 3.891 -1.980 1.00 0.00 H new ATOM 0 HB2 HIS A 71 8.245 6.371 -1.470 1.00 0.00 H new ATOM 0 HB3 HIS A 71 7.660 4.817 -2.031 1.00 0.00 H new ATOM 0 HD2 HIS A 71 8.976 6.446 1.293 1.00 0.00 H new ATOM 0 HE1 HIS A 71 7.217 2.699 2.226 1.00 0.00 H new ATOM 0 HE2 HIS A 71 8.223 4.828 3.195 1.00 0.00 H new ATOM 1029 N ASN A 72 9.740 4.632 -4.357 1.00 0.00 N ATOM 1030 CA ASN A 72 9.837 5.018 -5.760 1.00 0.00 C ATOM 1031 C ASN A 72 8.458 5.320 -6.339 1.00 0.00 C ATOM 1032 O ASN A 72 7.688 4.409 -6.641 1.00 0.00 O ATOM 1033 CB ASN A 72 10.511 3.907 -6.570 1.00 0.00 C ATOM 1034 CG ASN A 72 12.005 3.836 -6.322 1.00 0.00 C ATOM 1035 OD1 ASN A 72 12.538 4.546 -5.469 1.00 0.00 O ATOM 1036 ND2 ASN A 72 12.688 2.976 -7.068 1.00 0.00 N ATOM 0 H ASN A 72 9.516 3.649 -4.205 1.00 0.00 H new ATOM 0 HA ASN A 72 10.442 5.922 -5.821 1.00 0.00 H new ATOM 0 HB2 ASN A 72 10.057 2.949 -6.315 1.00 0.00 H new ATOM 0 HB3 ASN A 72 10.329 4.074 -7.632 1.00 0.00 H new ATOM 0 HD21 ASN A 72 13.696 2.884 -6.946 1.00 0.00 H new ATOM 0 HD22 ASN A 72 12.204 2.408 -7.763 1.00 0.00 H new ATOM 1043 N SER A 73 8.155 6.605 -6.492 1.00 0.00 N ATOM 1044 CA SER A 73 6.870 7.028 -7.032 1.00 0.00 C ATOM 1045 C SER A 73 6.813 6.806 -8.541 1.00 0.00 C ATOM 1046 O SER A 73 5.832 7.159 -9.194 1.00 0.00 O ATOM 1047 CB SER A 73 6.617 8.503 -6.712 1.00 0.00 C ATOM 1048 OG SER A 73 7.235 9.345 -7.670 1.00 0.00 O ATOM 0 H SER A 73 8.783 7.371 -6.249 1.00 0.00 H new ATOM 0 HA SER A 73 6.093 6.424 -6.564 1.00 0.00 H new ATOM 0 HB2 SER A 73 5.544 8.695 -6.692 1.00 0.00 H new ATOM 0 HB3 SER A 73 7.001 8.734 -5.718 1.00 0.00 H new ATOM 0 HG SER A 73 7.058 10.282 -7.445 1.00 0.00 H new ATOM 1054 N GLU A 74 7.875 6.219 -9.086 1.00 0.00 N ATOM 1055 CA GLU A 74 7.948 5.952 -10.517 1.00 0.00 C ATOM 1056 C GLU A 74 8.011 4.451 -10.787 1.00 0.00 C ATOM 1057 O GLU A 74 8.505 3.681 -9.964 1.00 0.00 O ATOM 1058 CB GLU A 74 9.168 6.644 -11.127 1.00 0.00 C ATOM 1059 CG GLU A 74 8.939 8.111 -11.449 1.00 0.00 C ATOM 1060 CD GLU A 74 7.700 8.336 -12.293 1.00 0.00 C ATOM 1061 OE1 GLU A 74 7.599 7.720 -13.375 1.00 0.00 O ATOM 1062 OE2 GLU A 74 6.832 9.129 -11.872 1.00 0.00 O ATOM 0 H GLU A 74 8.695 5.920 -8.558 1.00 0.00 H new ATOM 0 HA GLU A 74 7.046 6.350 -10.981 1.00 0.00 H new ATOM 0 HB2 GLU A 74 10.006 6.559 -10.436 1.00 0.00 H new ATOM 0 HB3 GLU A 74 9.453 6.121 -12.040 1.00 0.00 H new ATOM 0 HG2 GLU A 74 8.848 8.673 -10.520 1.00 0.00 H new ATOM 0 HG3 GLU A 74 9.809 8.504 -11.975 1.00 0.00 H new ATOM 1069 N LYS A 75 7.509 4.043 -11.947 1.00 0.00 N ATOM 1070 CA LYS A 75 7.509 2.635 -12.329 1.00 0.00 C ATOM 1071 C LYS A 75 8.748 2.294 -13.149 1.00 0.00 C ATOM 1072 O LYS A 75 8.839 2.709 -14.303 1.00 0.00 O ATOM 1073 CB LYS A 75 6.247 2.303 -13.129 1.00 0.00 C ATOM 1074 CG LYS A 75 4.962 2.479 -12.339 1.00 0.00 C ATOM 1075 CD LYS A 75 4.615 3.947 -12.159 1.00 0.00 C ATOM 1076 CE LYS A 75 4.634 4.691 -13.486 1.00 0.00 C ATOM 1077 NZ LYS A 75 3.990 3.902 -14.573 1.00 0.00 N ATOM 0 H LYS A 75 7.096 4.667 -12.640 1.00 0.00 H new ATOM 0 HA LYS A 75 7.522 2.037 -11.418 1.00 0.00 H new ATOM 0 HB2 LYS A 75 6.210 2.939 -14.013 1.00 0.00 H new ATOM 0 HB3 LYS A 75 6.310 1.273 -13.480 1.00 0.00 H new ATOM 0 HG2 LYS A 75 4.146 1.972 -12.853 1.00 0.00 H new ATOM 0 HG3 LYS A 75 5.067 2.006 -11.362 1.00 0.00 H new ATOM 0 HD2 LYS A 75 3.628 4.036 -11.705 1.00 0.00 H new ATOM 0 HD3 LYS A 75 5.324 4.408 -11.472 1.00 0.00 H new ATOM 0 HE2 LYS A 75 4.118 5.645 -13.375 1.00 0.00 H new ATOM 0 HE3 LYS A 75 5.664 4.916 -13.762 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 3.610 4.549 -15.293 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 4.694 3.273 -15.009 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 3.215 3.333 -14.176 1.00 0.00 H new TER 1091 LYS A 75 HETATM 1092 ZN ZN A 201 8.339 1.995 -0.586 1.00 0.00 ZN HETATM 1093 ZN ZN A 401 15.139 -8.725 0.177 1.00 0.00 ZN