USER MOD reduce.3.24.130724 H: found=0, std=0, add=525, rem=0, adj=21 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= -8.75! C(o=-12!,f=-19!) USER MOD Set 1.2: A 72 ASN : amide:sc= -3.61! C(o=-12!,f=-15!) USER MOD Single : A 1 GLY N :NH3+ -175:sc= -0.144 (180deg=-0.169) USER MOD Single : A 2 SER OG : rot 44:sc= 1.05 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot -57:sc= 0.144 USER MOD Single : A 6 SER OG : rot 180:sc= 0.0195 USER MOD Single : A 8 MET CE :methyl 165:sc= -0.0141 (180deg=-0.253) USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 19 GLN : amide:sc= -0.129 X(o=-0.13,f=-0.0096) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 ASN : amide:sc= -5.64! C(o=-5.6!,f=-22!) USER MOD Single : A 27 SER OG : rot 180:sc= -0.0739 USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 HIS : no HE2:sc= -7.13! C(o=-7.1!,f=-14!) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 SER OG : rot -36:sc= 0.97 USER MOD Single : A 51 LYS NZ :NH3+ 146:sc= -0.0739 (180deg=-0.36) USER MOD Single : A 54 THR OG1 : rot 110:sc= -1.44 USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 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 -100:sc= -1.32 USER MOD Single : A 68 LYS NZ :NH3+ 166:sc= -0.024 (180deg=-0.25) USER MOD Single : A 73 SER OG : rot 17:sc= 0.939 USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -14.021 18.363 12.098 1.00 0.00 N ATOM 2 CA GLY A 1 -13.116 19.419 11.681 1.00 0.00 C ATOM 3 C GLY A 1 -11.703 18.919 11.460 1.00 0.00 C ATOM 4 O GLY A 1 -10.870 19.622 10.886 1.00 0.00 O ATOM 0 H1 GLY A 1 -14.990 18.738 12.154 1.00 0.00 H new ATOM 0 H2 GLY A 1 -13.990 17.586 11.407 1.00 0.00 H new ATOM 0 H3 GLY A 1 -13.733 18.008 13.032 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -13.487 19.868 10.760 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -13.106 20.204 12.437 1.00 0.00 H new ATOM 8 N SER A 2 -11.429 17.701 11.917 1.00 0.00 N ATOM 9 CA SER A 2 -10.105 17.110 11.772 1.00 0.00 C ATOM 10 C SER A 2 -10.067 16.150 10.586 1.00 0.00 C ATOM 11 O SER A 2 -10.036 14.932 10.760 1.00 0.00 O ATOM 12 CB SER A 2 -9.709 16.372 13.052 1.00 0.00 C ATOM 13 OG SER A 2 -10.546 15.251 13.275 1.00 0.00 O ATOM 0 H SER A 2 -12.107 17.105 12.391 1.00 0.00 H new ATOM 0 HA SER A 2 -9.393 17.915 11.590 1.00 0.00 H new ATOM 0 HB2 SER A 2 -8.671 16.046 12.981 1.00 0.00 H new ATOM 0 HB3 SER A 2 -9.773 17.052 13.902 1.00 0.00 H new ATOM 0 HG SER A 2 -10.677 14.768 12.433 1.00 0.00 H new ATOM 19 N SER A 3 -10.068 16.709 9.380 1.00 0.00 N ATOM 20 CA SER A 3 -10.036 15.904 8.165 1.00 0.00 C ATOM 21 C SER A 3 -8.622 15.831 7.597 1.00 0.00 C ATOM 22 O SER A 3 -7.703 16.473 8.105 1.00 0.00 O ATOM 23 CB SER A 3 -10.988 16.485 7.118 1.00 0.00 C ATOM 24 OG SER A 3 -10.547 17.758 6.678 1.00 0.00 O ATOM 0 H SER A 3 -10.091 17.716 9.219 1.00 0.00 H new ATOM 0 HA SER A 3 -10.359 14.895 8.420 1.00 0.00 H new ATOM 0 HB2 SER A 3 -11.056 15.806 6.268 1.00 0.00 H new ATOM 0 HB3 SER A 3 -11.990 16.569 7.540 1.00 0.00 H new ATOM 0 HG SER A 3 -11.171 18.107 6.008 1.00 0.00 H new ATOM 30 N GLY A 4 -8.454 15.042 6.540 1.00 0.00 N ATOM 31 CA GLY A 4 -7.151 14.899 5.920 1.00 0.00 C ATOM 32 C GLY A 4 -7.109 15.470 4.516 1.00 0.00 C ATOM 33 O GLY A 4 -6.408 16.447 4.257 1.00 0.00 O ATOM 0 H GLY A 4 -9.198 14.499 6.102 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -6.403 15.400 6.535 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -6.882 13.843 5.887 1.00 0.00 H new ATOM 37 N SER A 5 -7.863 14.857 3.608 1.00 0.00 N ATOM 38 CA SER A 5 -7.905 15.307 2.222 1.00 0.00 C ATOM 39 C SER A 5 -6.498 15.561 1.689 1.00 0.00 C ATOM 40 O SER A 5 -6.220 16.614 1.116 1.00 0.00 O ATOM 41 CB SER A 5 -8.745 16.581 2.102 1.00 0.00 C ATOM 42 OG SER A 5 -9.030 16.878 0.746 1.00 0.00 O ATOM 0 H SER A 5 -8.452 14.049 3.808 1.00 0.00 H new ATOM 0 HA SER A 5 -8.364 14.519 1.625 1.00 0.00 H new ATOM 0 HB2 SER A 5 -9.677 16.459 2.655 1.00 0.00 H new ATOM 0 HB3 SER A 5 -8.212 17.416 2.556 1.00 0.00 H new ATOM 0 HG SER A 5 -8.191 16.959 0.246 1.00 0.00 H new ATOM 48 N SER A 6 -5.615 14.587 1.883 1.00 0.00 N ATOM 49 CA SER A 6 -4.234 14.704 1.426 1.00 0.00 C ATOM 50 C SER A 6 -4.085 14.168 0.006 1.00 0.00 C ATOM 51 O SER A 6 -4.811 13.266 -0.409 1.00 0.00 O ATOM 52 CB SER A 6 -3.297 13.949 2.370 1.00 0.00 C ATOM 53 OG SER A 6 -3.837 12.688 2.725 1.00 0.00 O ATOM 0 H SER A 6 -5.830 13.708 2.353 1.00 0.00 H new ATOM 0 HA SER A 6 -3.965 15.760 1.427 1.00 0.00 H new ATOM 0 HB2 SER A 6 -2.328 13.811 1.891 1.00 0.00 H new ATOM 0 HB3 SER A 6 -3.127 14.541 3.269 1.00 0.00 H new ATOM 0 HG SER A 6 -3.218 12.225 3.327 1.00 0.00 H new ATOM 59 N GLY A 7 -3.136 14.731 -0.736 1.00 0.00 N ATOM 60 CA GLY A 7 -2.907 14.297 -2.102 1.00 0.00 C ATOM 61 C GLY A 7 -1.435 14.262 -2.460 1.00 0.00 C ATOM 62 O GLY A 7 -1.075 14.231 -3.637 1.00 0.00 O ATOM 0 H GLY A 7 -2.522 15.480 -0.416 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -3.335 13.304 -2.241 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -3.428 14.968 -2.785 1.00 0.00 H new ATOM 66 N MET A 8 -0.579 14.269 -1.442 1.00 0.00 N ATOM 67 CA MET A 8 0.863 14.237 -1.657 1.00 0.00 C ATOM 68 C MET A 8 1.413 12.830 -1.447 1.00 0.00 C ATOM 69 O MET A 8 2.627 12.627 -1.417 1.00 0.00 O ATOM 70 CB MET A 8 1.561 15.217 -0.712 1.00 0.00 C ATOM 71 CG MET A 8 1.138 15.066 0.741 1.00 0.00 C ATOM 72 SD MET A 8 1.981 16.228 1.833 1.00 0.00 S ATOM 73 CE MET A 8 1.218 17.771 1.339 1.00 0.00 C ATOM 0 H MET A 8 -0.859 14.297 -0.462 1.00 0.00 H new ATOM 0 HA MET A 8 1.059 14.534 -2.687 1.00 0.00 H new ATOM 0 HB2 MET A 8 2.639 15.074 -0.785 1.00 0.00 H new ATOM 0 HB3 MET A 8 1.352 16.236 -1.039 1.00 0.00 H new ATOM 0 HG2 MET A 8 0.061 15.215 0.819 1.00 0.00 H new ATOM 0 HG3 MET A 8 1.344 14.048 1.072 1.00 0.00 H new ATOM 0 HE1 MET A 8 1.427 18.536 2.087 1.00 0.00 H new ATOM 0 HE2 MET A 8 1.621 18.084 0.376 1.00 0.00 H new ATOM 0 HE3 MET A 8 0.140 17.633 1.253 1.00 0.00 H new ATOM 83 N ALA A 9 0.513 11.863 -1.304 1.00 0.00 N ATOM 84 CA ALA A 9 0.909 10.475 -1.099 1.00 0.00 C ATOM 85 C ALA A 9 1.296 9.814 -2.418 1.00 0.00 C ATOM 86 O ALA A 9 0.432 9.422 -3.203 1.00 0.00 O ATOM 87 CB ALA A 9 -0.213 9.700 -0.426 1.00 0.00 C ATOM 0 H ALA A 9 -0.495 12.015 -1.326 1.00 0.00 H new ATOM 0 HA ALA A 9 1.783 10.465 -0.448 1.00 0.00 H new ATOM 0 HB1 ALA A 9 0.097 8.665 -0.279 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -0.439 10.152 0.540 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -1.102 9.727 -1.056 1.00 0.00 H new ATOM 93 N LEU A 10 2.596 9.695 -2.656 1.00 0.00 N ATOM 94 CA LEU A 10 3.096 9.081 -3.882 1.00 0.00 C ATOM 95 C LEU A 10 3.092 7.560 -3.771 1.00 0.00 C ATOM 96 O LEU A 10 3.443 7.002 -2.730 1.00 0.00 O ATOM 97 CB LEU A 10 4.511 9.578 -4.183 1.00 0.00 C ATOM 98 CG LEU A 10 4.733 11.086 -4.069 1.00 0.00 C ATOM 99 CD1 LEU A 10 6.097 11.469 -4.620 1.00 0.00 C ATOM 100 CD2 LEU A 10 3.630 11.843 -4.796 1.00 0.00 C ATOM 0 H LEU A 10 3.324 10.015 -2.017 1.00 0.00 H new ATOM 0 HA LEU A 10 2.434 9.368 -4.699 1.00 0.00 H new ATOM 0 HB2 LEU A 10 5.202 9.077 -3.505 1.00 0.00 H new ATOM 0 HB3 LEU A 10 4.776 9.268 -5.194 1.00 0.00 H new ATOM 0 HG LEU A 10 4.701 11.360 -3.014 1.00 0.00 H new ATOM 0 HD11 LEU A 10 6.236 12.546 -4.530 1.00 0.00 H new ATOM 0 HD12 LEU A 10 6.875 10.954 -4.056 1.00 0.00 H new ATOM 0 HD13 LEU A 10 6.159 11.182 -5.670 1.00 0.00 H new ATOM 0 HD21 LEU A 10 3.804 12.915 -4.705 1.00 0.00 H new ATOM 0 HD22 LEU A 10 3.630 11.564 -5.850 1.00 0.00 H new ATOM 0 HD23 LEU A 10 2.665 11.593 -4.355 1.00 0.00 H new ATOM 112 N LEU A 11 2.694 6.894 -4.849 1.00 0.00 N ATOM 113 CA LEU A 11 2.646 5.436 -4.874 1.00 0.00 C ATOM 114 C LEU A 11 4.035 4.850 -5.110 1.00 0.00 C ATOM 115 O LEU A 11 4.682 5.144 -6.115 1.00 0.00 O ATOM 116 CB LEU A 11 1.686 4.957 -5.964 1.00 0.00 C ATOM 117 CG LEU A 11 1.600 3.443 -6.164 1.00 0.00 C ATOM 118 CD1 LEU A 11 1.737 2.720 -4.833 1.00 0.00 C ATOM 119 CD2 LEU A 11 0.291 3.069 -6.845 1.00 0.00 C ATOM 0 H LEU A 11 2.400 7.340 -5.718 1.00 0.00 H new ATOM 0 HA LEU A 11 2.286 5.092 -3.904 1.00 0.00 H new ATOM 0 HB2 LEU A 11 0.689 5.330 -5.731 1.00 0.00 H new ATOM 0 HB3 LEU A 11 1.984 5.412 -6.909 1.00 0.00 H new ATOM 0 HG LEU A 11 2.423 3.133 -6.808 1.00 0.00 H new ATOM 0 HD11 LEU A 11 1.673 1.644 -4.995 1.00 0.00 H new ATOM 0 HD12 LEU A 11 2.700 2.963 -4.384 1.00 0.00 H new ATOM 0 HD13 LEU A 11 0.936 3.034 -4.164 1.00 0.00 H new ATOM 0 HD21 LEU A 11 0.247 1.988 -6.979 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -0.546 3.392 -6.227 1.00 0.00 H new ATOM 0 HD23 LEU A 11 0.234 3.558 -7.817 1.00 0.00 H new ATOM 131 N CYS A 12 4.485 4.016 -4.178 1.00 0.00 N ATOM 132 CA CYS A 12 5.795 3.386 -4.285 1.00 0.00 C ATOM 133 C CYS A 12 5.804 2.331 -5.387 1.00 0.00 C ATOM 134 O CYS A 12 4.806 1.647 -5.613 1.00 0.00 O ATOM 135 CB CYS A 12 6.188 2.748 -2.950 1.00 0.00 C ATOM 136 SG CYS A 12 7.965 2.386 -2.793 1.00 0.00 S ATOM 0 H CYS A 12 3.961 3.761 -3.341 1.00 0.00 H new ATOM 0 HA CYS A 12 6.521 4.158 -4.540 1.00 0.00 H new ATOM 0 HB2 CYS A 12 5.891 3.414 -2.140 1.00 0.00 H new ATOM 0 HB3 CYS A 12 5.627 1.822 -2.823 1.00 0.00 H new ATOM 141 N TYR A 13 6.936 2.204 -6.069 1.00 0.00 N ATOM 142 CA TYR A 13 7.075 1.235 -7.149 1.00 0.00 C ATOM 143 C TYR A 13 8.292 0.341 -6.926 1.00 0.00 C ATOM 144 O TYR A 13 8.986 -0.027 -7.872 1.00 0.00 O ATOM 145 CB TYR A 13 7.194 1.952 -8.494 1.00 0.00 C ATOM 146 CG TYR A 13 5.885 2.516 -8.998 1.00 0.00 C ATOM 147 CD1 TYR A 13 4.943 1.698 -9.608 1.00 0.00 C ATOM 148 CD2 TYR A 13 5.592 3.867 -8.864 1.00 0.00 C ATOM 149 CE1 TYR A 13 3.745 2.209 -10.071 1.00 0.00 C ATOM 150 CE2 TYR A 13 4.396 4.387 -9.322 1.00 0.00 C ATOM 151 CZ TYR A 13 3.477 3.554 -9.925 1.00 0.00 C ATOM 152 OH TYR A 13 2.285 4.067 -10.384 1.00 0.00 O ATOM 0 H TYR A 13 7.772 2.761 -5.893 1.00 0.00 H new ATOM 0 HA TYR A 13 6.183 0.608 -7.157 1.00 0.00 H new ATOM 0 HB2 TYR A 13 7.917 2.762 -8.401 1.00 0.00 H new ATOM 0 HB3 TYR A 13 7.589 1.255 -9.234 1.00 0.00 H new ATOM 0 HD1 TYR A 13 5.150 0.644 -9.723 1.00 0.00 H new ATOM 0 HD2 TYR A 13 6.311 4.522 -8.394 1.00 0.00 H new ATOM 0 HE1 TYR A 13 3.024 1.559 -10.544 1.00 0.00 H new ATOM 0 HE2 TYR A 13 4.182 5.440 -9.208 1.00 0.00 H new ATOM 0 HH TYR A 13 2.252 5.030 -10.203 1.00 0.00 H new ATOM 162 N ASN A 14 8.540 -0.005 -5.667 1.00 0.00 N ATOM 163 CA ASN A 14 9.672 -0.855 -5.318 1.00 0.00 C ATOM 164 C ASN A 14 9.201 -2.244 -4.899 1.00 0.00 C ATOM 165 O ASN A 14 8.411 -2.387 -3.965 1.00 0.00 O ATOM 166 CB ASN A 14 10.486 -0.219 -4.189 1.00 0.00 C ATOM 167 CG ASN A 14 11.078 1.120 -4.587 1.00 0.00 C ATOM 168 OD1 ASN A 14 11.592 1.279 -5.695 1.00 0.00 O ATOM 169 ND2 ASN A 14 11.008 2.089 -3.683 1.00 0.00 N ATOM 0 H ASN A 14 7.973 0.290 -4.872 1.00 0.00 H new ATOM 0 HA ASN A 14 10.304 -0.955 -6.201 1.00 0.00 H new ATOM 0 HB2 ASN A 14 9.848 -0.086 -3.315 1.00 0.00 H new ATOM 0 HB3 ASN A 14 11.289 -0.896 -3.898 1.00 0.00 H new ATOM 0 HD21 ASN A 14 11.389 3.011 -3.893 1.00 0.00 H new ATOM 0 HD22 ASN A 14 10.573 1.911 -2.778 1.00 0.00 H new ATOM 176 N ARG A 15 9.691 -3.265 -5.595 1.00 0.00 N ATOM 177 CA ARG A 15 9.319 -4.642 -5.296 1.00 0.00 C ATOM 178 C ARG A 15 9.332 -4.894 -3.791 1.00 0.00 C ATOM 179 O ARG A 15 10.361 -4.743 -3.134 1.00 0.00 O ATOM 180 CB ARG A 15 10.274 -5.614 -5.994 1.00 0.00 C ATOM 181 CG ARG A 15 10.483 -5.308 -7.468 1.00 0.00 C ATOM 182 CD ARG A 15 10.970 -6.532 -8.226 1.00 0.00 C ATOM 183 NE ARG A 15 10.741 -6.412 -9.664 1.00 0.00 N ATOM 184 CZ ARG A 15 11.458 -5.624 -10.459 1.00 0.00 C ATOM 185 NH1 ARG A 15 12.441 -4.890 -9.958 1.00 0.00 N ATOM 186 NH2 ARG A 15 11.188 -5.569 -11.757 1.00 0.00 N ATOM 0 H ARG A 15 10.347 -3.164 -6.370 1.00 0.00 H new ATOM 0 HA ARG A 15 8.307 -4.807 -5.667 1.00 0.00 H new ATOM 0 HB2 ARG A 15 11.238 -5.590 -5.486 1.00 0.00 H new ATOM 0 HB3 ARG A 15 9.885 -6.627 -5.893 1.00 0.00 H new ATOM 0 HG2 ARG A 15 9.548 -4.957 -7.904 1.00 0.00 H new ATOM 0 HG3 ARG A 15 11.208 -4.501 -7.574 1.00 0.00 H new ATOM 0 HD2 ARG A 15 12.034 -6.675 -8.039 1.00 0.00 H new ATOM 0 HD3 ARG A 15 10.459 -7.418 -7.850 1.00 0.00 H new ATOM 0 HE ARG A 15 9.990 -6.963 -10.080 1.00 0.00 H new ATOM 0 HH11 ARG A 15 12.649 -4.929 -8.960 1.00 0.00 H new ATOM 0 HH12 ARG A 15 12.990 -4.286 -10.570 1.00 0.00 H new ATOM 0 HH21 ARG A 15 10.430 -6.131 -12.145 1.00 0.00 H new ATOM 0 HH22 ARG A 15 11.738 -4.964 -12.367 1.00 0.00 H new ATOM 200 N GLY A 16 8.179 -5.279 -3.251 1.00 0.00 N ATOM 201 CA GLY A 16 8.078 -5.544 -1.827 1.00 0.00 C ATOM 202 C GLY A 16 7.295 -4.475 -1.092 1.00 0.00 C ATOM 203 O GLY A 16 6.863 -4.681 0.043 1.00 0.00 O ATOM 0 H GLY A 16 7.313 -5.412 -3.774 1.00 0.00 H new ATOM 0 HA2 GLY A 16 7.599 -6.511 -1.674 1.00 0.00 H new ATOM 0 HA3 GLY A 16 9.079 -5.614 -1.402 1.00 0.00 H new ATOM 207 N CYS A 17 7.113 -3.328 -1.738 1.00 0.00 N ATOM 208 CA CYS A 17 6.379 -2.220 -1.138 1.00 0.00 C ATOM 209 C CYS A 17 5.075 -1.962 -1.887 1.00 0.00 C ATOM 210 O CYS A 17 3.990 -2.241 -1.380 1.00 0.00 O ATOM 211 CB CYS A 17 7.238 -0.954 -1.135 1.00 0.00 C ATOM 212 SG CYS A 17 6.938 0.145 0.287 1.00 0.00 S ATOM 0 H CYS A 17 7.464 -3.142 -2.677 1.00 0.00 H new ATOM 0 HA CYS A 17 6.139 -2.490 -0.110 1.00 0.00 H new ATOM 0 HB2 CYS A 17 8.289 -1.241 -1.143 1.00 0.00 H new ATOM 0 HB3 CYS A 17 7.052 -0.399 -2.055 1.00 0.00 H new ATOM 217 N GLY A 18 5.191 -1.428 -3.099 1.00 0.00 N ATOM 218 CA GLY A 18 4.016 -1.142 -3.899 1.00 0.00 C ATOM 219 C GLY A 18 2.950 -0.398 -3.118 1.00 0.00 C ATOM 220 O GLY A 18 1.786 -0.368 -3.518 1.00 0.00 O ATOM 0 H GLY A 18 6.079 -1.188 -3.541 1.00 0.00 H new ATOM 0 HA2 GLY A 18 4.306 -0.550 -4.767 1.00 0.00 H new ATOM 0 HA3 GLY A 18 3.600 -2.077 -4.276 1.00 0.00 H new ATOM 224 N GLN A 19 3.347 0.201 -2.000 1.00 0.00 N ATOM 225 CA GLN A 19 2.417 0.945 -1.160 1.00 0.00 C ATOM 226 C GLN A 19 2.632 2.448 -1.307 1.00 0.00 C ATOM 227 O GLN A 19 3.623 2.888 -1.891 1.00 0.00 O ATOM 228 CB GLN A 19 2.580 0.535 0.304 1.00 0.00 C ATOM 229 CG GLN A 19 2.160 -0.899 0.585 1.00 0.00 C ATOM 230 CD GLN A 19 0.760 -0.996 1.159 1.00 0.00 C ATOM 231 OE1 GLN A 19 -0.106 -1.668 0.601 1.00 0.00 O ATOM 232 NE2 GLN A 19 0.533 -0.323 2.281 1.00 0.00 N ATOM 0 H GLN A 19 4.307 0.185 -1.655 1.00 0.00 H new ATOM 0 HA GLN A 19 1.404 0.709 -1.486 1.00 0.00 H new ATOM 0 HB2 GLN A 19 3.623 0.663 0.594 1.00 0.00 H new ATOM 0 HB3 GLN A 19 1.991 1.206 0.928 1.00 0.00 H new ATOM 0 HG2 GLN A 19 2.211 -1.476 -0.338 1.00 0.00 H new ATOM 0 HG3 GLN A 19 2.866 -1.350 1.282 1.00 0.00 H new ATOM 0 HE21 GLN A 19 1.282 0.222 2.709 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -0.390 -0.351 2.715 1.00 0.00 H new ATOM 241 N ARG A 20 1.699 3.229 -0.775 1.00 0.00 N ATOM 242 CA ARG A 20 1.786 4.683 -0.849 1.00 0.00 C ATOM 243 C ARG A 20 2.790 5.219 0.168 1.00 0.00 C ATOM 244 O ARG A 20 3.268 4.483 1.031 1.00 0.00 O ATOM 245 CB ARG A 20 0.412 5.311 -0.607 1.00 0.00 C ATOM 246 CG ARG A 20 -0.598 5.007 -1.701 1.00 0.00 C ATOM 247 CD ARG A 20 -0.474 5.984 -2.860 1.00 0.00 C ATOM 248 NE ARG A 20 -1.704 6.063 -3.643 1.00 0.00 N ATOM 249 CZ ARG A 20 -2.731 6.844 -3.323 1.00 0.00 C ATOM 250 NH1 ARG A 20 -2.672 7.610 -2.242 1.00 0.00 N ATOM 251 NH2 ARG A 20 -3.817 6.861 -4.085 1.00 0.00 N ATOM 0 H ARG A 20 0.874 2.880 -0.288 1.00 0.00 H new ATOM 0 HA ARG A 20 2.128 4.952 -1.848 1.00 0.00 H new ATOM 0 HB2 ARG A 20 0.021 4.954 0.346 1.00 0.00 H new ATOM 0 HB3 ARG A 20 0.526 6.391 -0.520 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -0.449 3.990 -2.063 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -1.606 5.054 -1.290 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -0.225 6.973 -2.475 1.00 0.00 H new ATOM 0 HD3 ARG A 20 0.348 5.677 -3.506 1.00 0.00 H new ATOM 0 HE ARG A 20 -1.779 5.487 -4.482 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -1.838 7.600 -1.655 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -3.461 8.209 -1.998 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -3.865 6.274 -4.918 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -4.604 7.461 -3.838 1.00 0.00 H new ATOM 265 N PHE A 21 3.102 6.506 0.060 1.00 0.00 N ATOM 266 CA PHE A 21 4.049 7.141 0.969 1.00 0.00 C ATOM 267 C PHE A 21 4.047 8.656 0.786 1.00 0.00 C ATOM 268 O PHE A 21 3.526 9.172 -0.203 1.00 0.00 O ATOM 269 CB PHE A 21 5.457 6.591 0.738 1.00 0.00 C ATOM 270 CG PHE A 21 6.058 7.013 -0.572 1.00 0.00 C ATOM 271 CD1 PHE A 21 5.834 6.274 -1.722 1.00 0.00 C ATOM 272 CD2 PHE A 21 6.847 8.149 -0.653 1.00 0.00 C ATOM 273 CE1 PHE A 21 6.387 6.659 -2.929 1.00 0.00 C ATOM 274 CE2 PHE A 21 7.403 8.540 -1.858 1.00 0.00 C ATOM 275 CZ PHE A 21 7.172 7.794 -2.997 1.00 0.00 C ATOM 0 H PHE A 21 2.713 7.129 -0.647 1.00 0.00 H new ATOM 0 HA PHE A 21 3.741 6.915 1.990 1.00 0.00 H new ATOM 0 HB2 PHE A 21 6.105 6.922 1.549 1.00 0.00 H new ATOM 0 HB3 PHE A 21 5.425 5.502 0.780 1.00 0.00 H new ATOM 0 HD1 PHE A 21 5.220 5.387 -1.675 1.00 0.00 H new ATOM 0 HD2 PHE A 21 7.030 8.736 0.235 1.00 0.00 H new ATOM 0 HE1 PHE A 21 6.206 6.073 -3.818 1.00 0.00 H new ATOM 0 HE2 PHE A 21 8.017 9.427 -1.908 1.00 0.00 H new ATOM 0 HZ PHE A 21 7.604 8.097 -3.939 1.00 0.00 H new ATOM 285 N ASP A 22 4.629 9.363 1.748 1.00 0.00 N ATOM 286 CA ASP A 22 4.696 10.819 1.694 1.00 0.00 C ATOM 287 C ASP A 22 6.122 11.289 1.419 1.00 0.00 C ATOM 288 O ASP A 22 7.073 10.888 2.090 1.00 0.00 O ATOM 289 CB ASP A 22 4.191 11.423 3.005 1.00 0.00 C ATOM 290 CG ASP A 22 3.045 10.630 3.604 1.00 0.00 C ATOM 291 OD1 ASP A 22 2.342 9.937 2.841 1.00 0.00 O ATOM 292 OD2 ASP A 22 2.854 10.702 4.836 1.00 0.00 O ATOM 0 H ASP A 22 5.061 8.952 2.575 1.00 0.00 H new ATOM 0 HA ASP A 22 4.058 11.157 0.877 1.00 0.00 H new ATOM 0 HB2 ASP A 22 5.012 11.468 3.721 1.00 0.00 H new ATOM 0 HB3 ASP A 22 3.866 12.448 2.828 1.00 0.00 H new ATOM 297 N PRO A 23 6.274 12.157 0.409 1.00 0.00 N ATOM 298 CA PRO A 23 7.580 12.699 0.022 1.00 0.00 C ATOM 299 C PRO A 23 8.139 13.662 1.064 1.00 0.00 C ATOM 300 O PRO A 23 9.321 13.607 1.401 1.00 0.00 O ATOM 301 CB PRO A 23 7.285 13.439 -1.285 1.00 0.00 C ATOM 302 CG PRO A 23 5.839 13.792 -1.202 1.00 0.00 C ATOM 303 CD PRO A 23 5.184 12.677 -0.434 1.00 0.00 C ATOM 0 HA PRO A 23 8.333 11.917 -0.076 1.00 0.00 H new ATOM 0 HB2 PRO A 23 7.905 14.330 -1.384 1.00 0.00 H new ATOM 0 HB3 PRO A 23 7.490 12.810 -2.151 1.00 0.00 H new ATOM 0 HG2 PRO A 23 5.699 14.748 -0.698 1.00 0.00 H new ATOM 0 HG3 PRO A 23 5.403 13.889 -2.196 1.00 0.00 H new ATOM 0 HD2 PRO A 23 4.349 13.039 0.166 1.00 0.00 H new ATOM 0 HD3 PRO A 23 4.789 11.909 -1.099 1.00 0.00 H new ATOM 311 N GLU A 24 7.283 14.543 1.570 1.00 0.00 N ATOM 312 CA GLU A 24 7.693 15.518 2.573 1.00 0.00 C ATOM 313 C GLU A 24 8.271 14.823 3.803 1.00 0.00 C ATOM 314 O GLU A 24 8.922 15.452 4.638 1.00 0.00 O ATOM 315 CB GLU A 24 6.507 16.395 2.980 1.00 0.00 C ATOM 316 CG GLU A 24 5.238 15.608 3.263 1.00 0.00 C ATOM 317 CD GLU A 24 4.925 15.518 4.744 1.00 0.00 C ATOM 318 OE1 GLU A 24 5.668 16.121 5.546 1.00 0.00 O ATOM 319 OE2 GLU A 24 3.938 14.842 5.101 1.00 0.00 O ATOM 0 H GLU A 24 6.301 14.602 1.302 1.00 0.00 H new ATOM 0 HA GLU A 24 8.467 16.148 2.135 1.00 0.00 H new ATOM 0 HB2 GLU A 24 6.776 16.966 3.868 1.00 0.00 H new ATOM 0 HB3 GLU A 24 6.309 17.115 2.186 1.00 0.00 H new ATOM 0 HG2 GLU A 24 4.401 16.078 2.747 1.00 0.00 H new ATOM 0 HG3 GLU A 24 5.340 14.602 2.855 1.00 0.00 H new ATOM 326 N THR A 25 8.028 13.520 3.907 1.00 0.00 N ATOM 327 CA THR A 25 8.523 12.739 5.034 1.00 0.00 C ATOM 328 C THR A 25 9.457 11.630 4.567 1.00 0.00 C ATOM 329 O THR A 25 10.319 11.174 5.317 1.00 0.00 O ATOM 330 CB THR A 25 7.365 12.114 5.835 1.00 0.00 C ATOM 331 OG1 THR A 25 7.168 10.754 5.434 1.00 0.00 O ATOM 332 CG2 THR A 25 6.078 12.899 5.628 1.00 0.00 C ATOM 0 H THR A 25 7.492 12.984 3.225 1.00 0.00 H new ATOM 0 HA THR A 25 9.072 13.426 5.677 1.00 0.00 H new ATOM 0 HB THR A 25 7.627 12.146 6.893 1.00 0.00 H new ATOM 0 HG1 THR A 25 6.431 10.364 5.949 1.00 0.00 H new ATOM 0 HG21 THR A 25 5.275 12.439 6.203 1.00 0.00 H new ATOM 0 HG22 THR A 25 6.221 13.927 5.962 1.00 0.00 H new ATOM 0 HG23 THR A 25 5.815 12.895 4.570 1.00 0.00 H new ATOM 340 N ASN A 26 9.283 11.200 3.321 1.00 0.00 N ATOM 341 CA ASN A 26 10.112 10.143 2.753 1.00 0.00 C ATOM 342 C ASN A 26 11.556 10.267 3.233 1.00 0.00 C ATOM 343 O ASN A 26 12.095 11.369 3.328 1.00 0.00 O ATOM 344 CB ASN A 26 10.066 10.195 1.225 1.00 0.00 C ATOM 345 CG ASN A 26 10.817 9.045 0.584 1.00 0.00 C ATOM 346 OD1 ASN A 26 11.736 8.481 1.180 1.00 0.00 O ATOM 347 ND2 ASN A 26 10.432 8.694 -0.637 1.00 0.00 N ATOM 0 H ASN A 26 8.575 11.568 2.685 1.00 0.00 H new ATOM 0 HA ASN A 26 9.716 9.185 3.090 1.00 0.00 H new ATOM 0 HB2 ASN A 26 9.027 10.176 0.895 1.00 0.00 H new ATOM 0 HB3 ASN A 26 10.492 11.139 0.883 1.00 0.00 H new ATOM 0 HD21 ASN A 26 10.903 7.929 -1.120 1.00 0.00 H new ATOM 0 HD22 ASN A 26 9.666 9.190 -1.092 1.00 0.00 H new ATOM 354 N SER A 27 12.174 9.130 3.534 1.00 0.00 N ATOM 355 CA SER A 27 13.552 9.110 4.007 1.00 0.00 C ATOM 356 C SER A 27 14.288 7.881 3.484 1.00 0.00 C ATOM 357 O SER A 27 13.679 6.973 2.918 1.00 0.00 O ATOM 358 CB SER A 27 13.590 9.130 5.536 1.00 0.00 C ATOM 359 OG SER A 27 12.722 10.122 6.055 1.00 0.00 O ATOM 0 H SER A 27 11.741 8.209 3.458 1.00 0.00 H new ATOM 0 HA SER A 27 14.053 10.001 3.627 1.00 0.00 H new ATOM 0 HB2 SER A 27 13.302 8.152 5.923 1.00 0.00 H new ATOM 0 HB3 SER A 27 14.608 9.320 5.875 1.00 0.00 H new ATOM 0 HG SER A 27 12.764 10.113 7.034 1.00 0.00 H new ATOM 365 N ASP A 28 15.602 7.859 3.679 1.00 0.00 N ATOM 366 CA ASP A 28 16.424 6.741 3.229 1.00 0.00 C ATOM 367 C ASP A 28 16.132 5.488 4.048 1.00 0.00 C ATOM 368 O ASP A 28 16.615 4.400 3.731 1.00 0.00 O ATOM 369 CB ASP A 28 17.907 7.097 3.331 1.00 0.00 C ATOM 370 CG ASP A 28 18.792 6.109 2.596 1.00 0.00 C ATOM 371 OD1 ASP A 28 18.663 6.004 1.357 1.00 0.00 O ATOM 372 OD2 ASP A 28 19.612 5.441 3.258 1.00 0.00 O ATOM 0 H ASP A 28 16.121 8.603 4.146 1.00 0.00 H new ATOM 0 HA ASP A 28 16.178 6.538 2.187 1.00 0.00 H new ATOM 0 HB2 ASP A 28 18.067 8.096 2.924 1.00 0.00 H new ATOM 0 HB3 ASP A 28 18.198 7.130 4.381 1.00 0.00 H new ATOM 377 N ASP A 29 15.339 5.648 5.103 1.00 0.00 N ATOM 378 CA ASP A 29 14.983 4.530 5.968 1.00 0.00 C ATOM 379 C ASP A 29 13.483 4.512 6.243 1.00 0.00 C ATOM 380 O ASP A 29 13.046 4.153 7.336 1.00 0.00 O ATOM 381 CB ASP A 29 15.754 4.611 7.286 1.00 0.00 C ATOM 382 CG ASP A 29 15.446 5.877 8.061 1.00 0.00 C ATOM 383 OD1 ASP A 29 14.457 6.556 7.717 1.00 0.00 O ATOM 384 OD2 ASP A 29 16.196 6.190 9.010 1.00 0.00 O ATOM 0 H ASP A 29 14.931 6.541 5.379 1.00 0.00 H new ATOM 0 HA ASP A 29 15.252 3.607 5.455 1.00 0.00 H new ATOM 0 HB2 ASP A 29 15.510 3.744 7.900 1.00 0.00 H new ATOM 0 HB3 ASP A 29 16.824 4.565 7.081 1.00 0.00 H new ATOM 389 N ALA A 30 12.698 4.904 5.244 1.00 0.00 N ATOM 390 CA ALA A 30 11.247 4.932 5.378 1.00 0.00 C ATOM 391 C ALA A 30 10.590 3.936 4.429 1.00 0.00 C ATOM 392 O ALA A 30 9.410 3.612 4.574 1.00 0.00 O ATOM 393 CB ALA A 30 10.722 6.336 5.121 1.00 0.00 C ATOM 0 H ALA A 30 13.043 5.206 4.333 1.00 0.00 H new ATOM 0 HA ALA A 30 10.994 4.643 6.398 1.00 0.00 H new ATOM 0 HB1 ALA A 30 9.637 6.343 5.224 1.00 0.00 H new ATOM 0 HB2 ALA A 30 11.160 7.026 5.842 1.00 0.00 H new ATOM 0 HB3 ALA A 30 10.993 6.647 4.112 1.00 0.00 H new ATOM 399 N CYS A 31 11.358 3.455 3.457 1.00 0.00 N ATOM 400 CA CYS A 31 10.848 2.497 2.483 1.00 0.00 C ATOM 401 C CYS A 31 11.597 1.171 2.583 1.00 0.00 C ATOM 402 O CYS A 31 12.827 1.140 2.623 1.00 0.00 O ATOM 403 CB CYS A 31 10.976 3.062 1.067 1.00 0.00 C ATOM 404 SG CYS A 31 10.403 1.929 -0.240 1.00 0.00 S ATOM 0 H CYS A 31 12.336 3.713 3.323 1.00 0.00 H new ATOM 0 HA CYS A 31 9.795 2.318 2.702 1.00 0.00 H new ATOM 0 HB2 CYS A 31 10.407 3.989 1.004 1.00 0.00 H new ATOM 0 HB3 CYS A 31 12.020 3.316 0.881 1.00 0.00 H new ATOM 409 N THR A 32 10.845 0.075 2.622 1.00 0.00 N ATOM 410 CA THR A 32 11.435 -1.254 2.718 1.00 0.00 C ATOM 411 C THR A 32 11.064 -2.108 1.511 1.00 0.00 C ATOM 412 O THR A 32 9.967 -2.664 1.445 1.00 0.00 O ATOM 413 CB THR A 32 10.987 -1.976 4.002 1.00 0.00 C ATOM 414 OG1 THR A 32 10.833 -1.032 5.067 1.00 0.00 O ATOM 415 CG2 THR A 32 11.997 -3.041 4.404 1.00 0.00 C ATOM 0 H THR A 32 9.826 0.082 2.589 1.00 0.00 H new ATOM 0 HA THR A 32 12.516 -1.119 2.745 1.00 0.00 H new ATOM 0 HB THR A 32 10.030 -2.460 3.805 1.00 0.00 H new ATOM 0 HG1 THR A 32 10.546 -1.499 5.879 1.00 0.00 H new ATOM 0 HG21 THR A 32 11.659 -3.538 5.314 1.00 0.00 H new ATOM 0 HG22 THR A 32 12.090 -3.775 3.603 1.00 0.00 H new ATOM 0 HG23 THR A 32 12.966 -2.575 4.583 1.00 0.00 H new ATOM 423 N TYR A 33 11.986 -2.211 0.559 1.00 0.00 N ATOM 424 CA TYR A 33 11.753 -2.997 -0.647 1.00 0.00 C ATOM 425 C TYR A 33 12.883 -3.997 -0.871 1.00 0.00 C ATOM 426 O TYR A 33 13.792 -4.119 -0.048 1.00 0.00 O ATOM 427 CB TYR A 33 11.622 -2.078 -1.863 1.00 0.00 C ATOM 428 CG TYR A 33 12.854 -1.241 -2.125 1.00 0.00 C ATOM 429 CD1 TYR A 33 13.118 -0.105 -1.370 1.00 0.00 C ATOM 430 CD2 TYR A 33 13.752 -1.586 -3.127 1.00 0.00 C ATOM 431 CE1 TYR A 33 14.241 0.664 -1.606 1.00 0.00 C ATOM 432 CE2 TYR A 33 14.878 -0.824 -3.369 1.00 0.00 C ATOM 433 CZ TYR A 33 15.120 0.300 -2.607 1.00 0.00 C ATOM 434 OH TYR A 33 16.240 1.062 -2.846 1.00 0.00 O ATOM 0 H TYR A 33 12.900 -1.761 0.599 1.00 0.00 H new ATOM 0 HA TYR A 33 10.823 -3.550 -0.516 1.00 0.00 H new ATOM 0 HB2 TYR A 33 11.410 -2.683 -2.744 1.00 0.00 H new ATOM 0 HB3 TYR A 33 10.768 -1.417 -1.718 1.00 0.00 H new ATOM 0 HD1 TYR A 33 12.434 0.182 -0.585 1.00 0.00 H new ATOM 0 HD2 TYR A 33 13.567 -2.465 -3.727 1.00 0.00 H new ATOM 0 HE1 TYR A 33 14.431 1.545 -1.011 1.00 0.00 H new ATOM 0 HE2 TYR A 33 15.566 -1.107 -4.152 1.00 0.00 H new ATOM 0 HH TYR A 33 16.753 0.668 -3.582 1.00 0.00 H new ATOM 444 N HIS A 34 12.820 -4.711 -1.990 1.00 0.00 N ATOM 445 CA HIS A 34 13.839 -5.700 -2.325 1.00 0.00 C ATOM 446 C HIS A 34 14.570 -5.314 -3.606 1.00 0.00 C ATOM 447 O HIS A 34 14.031 -5.405 -4.709 1.00 0.00 O ATOM 448 CB HIS A 34 13.205 -7.082 -2.482 1.00 0.00 C ATOM 449 CG HIS A 34 12.625 -7.623 -1.211 1.00 0.00 C ATOM 450 ND1 HIS A 34 13.399 -8.068 -0.160 1.00 0.00 N ATOM 451 CD2 HIS A 34 11.337 -7.788 -0.826 1.00 0.00 C ATOM 452 CE1 HIS A 34 12.612 -8.485 0.816 1.00 0.00 C ATOM 453 NE2 HIS A 34 11.358 -8.325 0.438 1.00 0.00 N ATOM 0 H HIS A 34 12.074 -4.624 -2.680 1.00 0.00 H new ATOM 0 HA HIS A 34 14.563 -5.731 -1.510 1.00 0.00 H new ATOM 0 HB2 HIS A 34 12.420 -7.029 -3.236 1.00 0.00 H new ATOM 0 HB3 HIS A 34 13.957 -7.778 -2.853 1.00 0.00 H new ATOM 0 HD2 HIS A 34 10.458 -7.543 -1.404 1.00 0.00 H new ATOM 0 HE1 HIS A 34 12.940 -8.888 1.763 1.00 0.00 H new ATOM 0 HE2 HIS A 34 10.537 -8.562 0.995 1.00 0.00 H new ATOM 461 N PRO A 35 15.828 -4.873 -3.460 1.00 0.00 N ATOM 462 CA PRO A 35 16.661 -4.464 -4.595 1.00 0.00 C ATOM 463 C PRO A 35 17.073 -5.646 -5.467 1.00 0.00 C ATOM 464 O PRO A 35 17.820 -5.487 -6.431 1.00 0.00 O ATOM 465 CB PRO A 35 17.889 -3.838 -3.928 1.00 0.00 C ATOM 466 CG PRO A 35 17.958 -4.480 -2.585 1.00 0.00 C ATOM 467 CD PRO A 35 16.535 -4.738 -2.175 1.00 0.00 C ATOM 0 HA PRO A 35 16.132 -3.787 -5.265 1.00 0.00 H new ATOM 0 HB2 PRO A 35 18.794 -4.029 -4.505 1.00 0.00 H new ATOM 0 HB3 PRO A 35 17.786 -2.756 -3.845 1.00 0.00 H new ATOM 0 HG2 PRO A 35 18.527 -5.409 -2.625 1.00 0.00 H new ATOM 0 HG3 PRO A 35 18.459 -3.830 -1.867 1.00 0.00 H new ATOM 0 HD2 PRO A 35 16.448 -5.642 -1.572 1.00 0.00 H new ATOM 0 HD3 PRO A 35 16.133 -3.918 -1.580 1.00 0.00 H new ATOM 475 N GLY A 36 16.582 -6.831 -5.120 1.00 0.00 N ATOM 476 CA GLY A 36 16.910 -8.022 -5.881 1.00 0.00 C ATOM 477 C GLY A 36 15.803 -8.424 -6.836 1.00 0.00 C ATOM 478 O GLY A 36 15.061 -7.575 -7.330 1.00 0.00 O ATOM 0 H GLY A 36 15.963 -6.988 -4.325 1.00 0.00 H new ATOM 0 HA2 GLY A 36 17.826 -7.848 -6.445 1.00 0.00 H new ATOM 0 HA3 GLY A 36 17.110 -8.845 -5.194 1.00 0.00 H new ATOM 482 N VAL A 37 15.693 -9.722 -7.099 1.00 0.00 N ATOM 483 CA VAL A 37 14.668 -10.235 -8.001 1.00 0.00 C ATOM 484 C VAL A 37 14.009 -11.485 -7.430 1.00 0.00 C ATOM 485 O VAL A 37 14.589 -12.210 -6.622 1.00 0.00 O ATOM 486 CB VAL A 37 15.255 -10.564 -9.387 1.00 0.00 C ATOM 487 CG1 VAL A 37 15.177 -9.351 -10.302 1.00 0.00 C ATOM 488 CG2 VAL A 37 16.691 -11.052 -9.254 1.00 0.00 C ATOM 0 H VAL A 37 16.301 -10.438 -6.701 1.00 0.00 H new ATOM 0 HA VAL A 37 13.919 -9.451 -8.109 1.00 0.00 H new ATOM 0 HB VAL A 37 14.663 -11.363 -9.833 1.00 0.00 H new ATOM 0 HG11 VAL A 37 15.596 -9.603 -11.276 1.00 0.00 H new ATOM 0 HG12 VAL A 37 14.136 -9.052 -10.421 1.00 0.00 H new ATOM 0 HG13 VAL A 37 15.743 -8.528 -9.865 1.00 0.00 H new ATOM 0 HG21 VAL A 37 17.091 -11.280 -10.242 1.00 0.00 H new ATOM 0 HG22 VAL A 37 17.297 -10.276 -8.788 1.00 0.00 H new ATOM 0 HG23 VAL A 37 16.714 -11.950 -8.637 1.00 0.00 H new ATOM 498 N PRO A 38 12.765 -11.747 -7.860 1.00 0.00 N ATOM 499 CA PRO A 38 12.000 -12.911 -7.406 1.00 0.00 C ATOM 500 C PRO A 38 12.566 -14.222 -7.941 1.00 0.00 C ATOM 501 O PRO A 38 12.623 -14.437 -9.151 1.00 0.00 O ATOM 502 CB PRO A 38 10.601 -12.660 -7.976 1.00 0.00 C ATOM 503 CG PRO A 38 10.826 -11.787 -9.162 1.00 0.00 C ATOM 504 CD PRO A 38 12.011 -10.926 -8.823 1.00 0.00 C ATOM 0 HA PRO A 38 12.021 -13.015 -6.321 1.00 0.00 H new ATOM 0 HB2 PRO A 38 10.115 -13.594 -8.258 1.00 0.00 H new ATOM 0 HB3 PRO A 38 9.956 -12.174 -7.243 1.00 0.00 H new ATOM 0 HG2 PRO A 38 11.019 -12.383 -10.054 1.00 0.00 H new ATOM 0 HG3 PRO A 38 9.947 -11.177 -9.370 1.00 0.00 H new ATOM 0 HD2 PRO A 38 12.606 -10.695 -9.707 1.00 0.00 H new ATOM 0 HD3 PRO A 38 11.705 -9.975 -8.387 1.00 0.00 H new ATOM 512 N VAL A 39 12.981 -15.097 -7.030 1.00 0.00 N ATOM 513 CA VAL A 39 13.542 -16.388 -7.411 1.00 0.00 C ATOM 514 C VAL A 39 12.708 -17.535 -6.848 1.00 0.00 C ATOM 515 O VAL A 39 12.039 -17.387 -5.826 1.00 0.00 O ATOM 516 CB VAL A 39 14.995 -16.536 -6.923 1.00 0.00 C ATOM 517 CG1 VAL A 39 15.164 -15.901 -5.551 1.00 0.00 C ATOM 518 CG2 VAL A 39 15.400 -18.001 -6.896 1.00 0.00 C ATOM 0 H VAL A 39 12.939 -14.935 -6.024 1.00 0.00 H new ATOM 0 HA VAL A 39 13.528 -16.431 -8.500 1.00 0.00 H new ATOM 0 HB VAL A 39 15.650 -16.015 -7.621 1.00 0.00 H new ATOM 0 HG11 VAL A 39 16.197 -16.015 -5.222 1.00 0.00 H new ATOM 0 HG12 VAL A 39 14.916 -14.841 -5.608 1.00 0.00 H new ATOM 0 HG13 VAL A 39 14.500 -16.391 -4.839 1.00 0.00 H new ATOM 0 HG21 VAL A 39 16.430 -18.088 -6.549 1.00 0.00 H new ATOM 0 HG22 VAL A 39 14.742 -18.548 -6.221 1.00 0.00 H new ATOM 0 HG23 VAL A 39 15.319 -18.419 -7.899 1.00 0.00 H new ATOM 528 N PHE A 40 12.757 -18.679 -7.523 1.00 0.00 N ATOM 529 CA PHE A 40 12.007 -19.853 -7.090 1.00 0.00 C ATOM 530 C PHE A 40 12.861 -21.113 -7.196 1.00 0.00 C ATOM 531 O PHE A 40 12.959 -21.722 -8.262 1.00 0.00 O ATOM 532 CB PHE A 40 10.737 -20.011 -7.930 1.00 0.00 C ATOM 533 CG PHE A 40 10.195 -18.710 -8.449 1.00 0.00 C ATOM 534 CD1 PHE A 40 9.831 -17.698 -7.575 1.00 0.00 C ATOM 535 CD2 PHE A 40 10.050 -18.498 -9.811 1.00 0.00 C ATOM 536 CE1 PHE A 40 9.333 -16.499 -8.049 1.00 0.00 C ATOM 537 CE2 PHE A 40 9.554 -17.301 -10.291 1.00 0.00 C ATOM 538 CZ PHE A 40 9.193 -16.301 -9.409 1.00 0.00 C ATOM 0 H PHE A 40 13.307 -18.818 -8.371 1.00 0.00 H new ATOM 0 HA PHE A 40 11.728 -19.711 -6.046 1.00 0.00 H new ATOM 0 HB2 PHE A 40 10.948 -20.669 -8.773 1.00 0.00 H new ATOM 0 HB3 PHE A 40 9.971 -20.500 -7.328 1.00 0.00 H new ATOM 0 HD1 PHE A 40 9.938 -17.848 -6.511 1.00 0.00 H new ATOM 0 HD2 PHE A 40 10.328 -19.277 -10.505 1.00 0.00 H new ATOM 0 HE1 PHE A 40 9.054 -15.718 -7.357 1.00 0.00 H new ATOM 0 HE2 PHE A 40 9.449 -17.147 -11.355 1.00 0.00 H new ATOM 0 HZ PHE A 40 8.802 -15.366 -9.782 1.00 0.00 H new ATOM 548 N HIS A 41 13.476 -21.499 -6.083 1.00 0.00 N ATOM 549 CA HIS A 41 14.321 -22.687 -6.049 1.00 0.00 C ATOM 550 C HIS A 41 13.825 -23.679 -5.002 1.00 0.00 C ATOM 551 O HIS A 41 13.583 -23.312 -3.852 1.00 0.00 O ATOM 552 CB HIS A 41 15.771 -22.299 -5.754 1.00 0.00 C ATOM 553 CG HIS A 41 15.934 -21.514 -4.489 1.00 0.00 C ATOM 554 ND1 HIS A 41 16.760 -21.910 -3.459 1.00 0.00 N ATOM 555 CD2 HIS A 41 15.372 -20.348 -4.091 1.00 0.00 C ATOM 556 CE1 HIS A 41 16.700 -21.023 -2.482 1.00 0.00 C ATOM 557 NE2 HIS A 41 15.863 -20.065 -2.841 1.00 0.00 N ATOM 0 H HIS A 41 13.405 -21.006 -5.193 1.00 0.00 H new ATOM 0 HA HIS A 41 14.272 -23.165 -7.027 1.00 0.00 H new ATOM 0 HB2 HIS A 41 16.375 -23.204 -5.691 1.00 0.00 H new ATOM 0 HB3 HIS A 41 16.159 -21.714 -6.588 1.00 0.00 H new ATOM 0 HD1 HIS A 41 17.329 -22.756 -3.452 1.00 0.00 H new ATOM 0 HD2 HIS A 41 14.668 -19.752 -4.653 1.00 0.00 H new ATOM 0 HE1 HIS A 41 17.242 -21.072 -1.549 1.00 0.00 H new ATOM 565 N ASP A 42 13.674 -24.934 -5.408 1.00 0.00 N ATOM 566 CA ASP A 42 13.205 -25.979 -4.504 1.00 0.00 C ATOM 567 C ASP A 42 11.885 -25.581 -3.852 1.00 0.00 C ATOM 568 O ASP A 42 11.684 -25.793 -2.656 1.00 0.00 O ATOM 569 CB ASP A 42 14.255 -26.261 -3.429 1.00 0.00 C ATOM 570 CG ASP A 42 15.660 -26.337 -3.996 1.00 0.00 C ATOM 571 OD1 ASP A 42 16.101 -25.349 -4.619 1.00 0.00 O ATOM 572 OD2 ASP A 42 16.316 -27.384 -3.817 1.00 0.00 O ATOM 0 H ASP A 42 13.869 -25.253 -6.357 1.00 0.00 H new ATOM 0 HA ASP A 42 13.042 -26.885 -5.088 1.00 0.00 H new ATOM 0 HB2 ASP A 42 14.214 -25.478 -2.671 1.00 0.00 H new ATOM 0 HB3 ASP A 42 14.017 -27.200 -2.930 1.00 0.00 H new ATOM 577 N ALA A 43 10.990 -25.003 -4.645 1.00 0.00 N ATOM 578 CA ALA A 43 9.688 -24.577 -4.145 1.00 0.00 C ATOM 579 C ALA A 43 9.830 -23.417 -3.165 1.00 0.00 C ATOM 580 O ALA A 43 8.856 -22.996 -2.540 1.00 0.00 O ATOM 581 CB ALA A 43 8.969 -25.743 -3.485 1.00 0.00 C ATOM 0 H ALA A 43 11.142 -24.819 -5.637 1.00 0.00 H new ATOM 0 HA ALA A 43 9.095 -24.232 -4.992 1.00 0.00 H new ATOM 0 HB1 ALA A 43 7.999 -25.410 -3.116 1.00 0.00 H new ATOM 0 HB2 ALA A 43 8.826 -26.542 -4.213 1.00 0.00 H new ATOM 0 HB3 ALA A 43 9.566 -26.114 -2.652 1.00 0.00 H new ATOM 587 N LEU A 44 11.049 -22.905 -3.033 1.00 0.00 N ATOM 588 CA LEU A 44 11.319 -21.794 -2.127 1.00 0.00 C ATOM 589 C LEU A 44 11.372 -20.473 -2.888 1.00 0.00 C ATOM 590 O LEU A 44 12.392 -20.132 -3.489 1.00 0.00 O ATOM 591 CB LEU A 44 12.635 -22.024 -1.385 1.00 0.00 C ATOM 592 CG LEU A 44 12.931 -23.466 -0.972 1.00 0.00 C ATOM 593 CD1 LEU A 44 14.340 -23.583 -0.413 1.00 0.00 C ATOM 594 CD2 LEU A 44 11.908 -23.949 0.046 1.00 0.00 C ATOM 0 H LEU A 44 11.866 -23.242 -3.542 1.00 0.00 H new ATOM 0 HA LEU A 44 10.507 -21.741 -1.402 1.00 0.00 H new ATOM 0 HB2 LEU A 44 13.451 -21.674 -2.017 1.00 0.00 H new ATOM 0 HB3 LEU A 44 12.637 -21.403 -0.489 1.00 0.00 H new ATOM 0 HG LEU A 44 12.861 -24.099 -1.856 1.00 0.00 H new ATOM 0 HD11 LEU A 44 14.532 -24.616 -0.125 1.00 0.00 H new ATOM 0 HD12 LEU A 44 15.059 -23.279 -1.173 1.00 0.00 H new ATOM 0 HD13 LEU A 44 14.440 -22.938 0.460 1.00 0.00 H new ATOM 0 HD21 LEU A 44 12.134 -24.977 0.329 1.00 0.00 H new ATOM 0 HD22 LEU A 44 11.946 -23.313 0.930 1.00 0.00 H new ATOM 0 HD23 LEU A 44 10.910 -23.904 -0.391 1.00 0.00 H new ATOM 606 N LYS A 45 10.271 -19.732 -2.855 1.00 0.00 N ATOM 607 CA LYS A 45 10.194 -18.445 -3.538 1.00 0.00 C ATOM 608 C LYS A 45 10.755 -17.330 -2.662 1.00 0.00 C ATOM 609 O LYS A 45 10.223 -17.040 -1.592 1.00 0.00 O ATOM 610 CB LYS A 45 8.743 -18.131 -3.914 1.00 0.00 C ATOM 611 CG LYS A 45 8.097 -19.193 -4.787 1.00 0.00 C ATOM 612 CD LYS A 45 6.596 -18.987 -4.898 1.00 0.00 C ATOM 613 CE LYS A 45 5.877 -20.288 -5.220 1.00 0.00 C ATOM 614 NZ LYS A 45 6.214 -20.786 -6.582 1.00 0.00 N ATOM 0 H LYS A 45 9.419 -20.000 -2.363 1.00 0.00 H new ATOM 0 HA LYS A 45 10.794 -18.507 -4.446 1.00 0.00 H new ATOM 0 HB2 LYS A 45 8.157 -18.016 -3.002 1.00 0.00 H new ATOM 0 HB3 LYS A 45 8.711 -17.175 -4.436 1.00 0.00 H new ATOM 0 HG2 LYS A 45 8.543 -19.168 -5.781 1.00 0.00 H new ATOM 0 HG3 LYS A 45 8.300 -20.180 -4.371 1.00 0.00 H new ATOM 0 HD2 LYS A 45 6.213 -18.581 -3.962 1.00 0.00 H new ATOM 0 HD3 LYS A 45 6.385 -18.252 -5.674 1.00 0.00 H new ATOM 0 HE2 LYS A 45 6.144 -21.043 -4.481 1.00 0.00 H new ATOM 0 HE3 LYS A 45 4.800 -20.136 -5.145 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 5.704 -21.674 -6.763 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 5.936 -20.077 -7.290 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 7.238 -20.956 -6.646 1.00 0.00 H new ATOM 628 N GLY A 46 11.834 -16.706 -3.126 1.00 0.00 N ATOM 629 CA GLY A 46 12.449 -15.629 -2.374 1.00 0.00 C ATOM 630 C GLY A 46 13.061 -14.571 -3.270 1.00 0.00 C ATOM 631 O GLY A 46 12.598 -14.353 -4.390 1.00 0.00 O ATOM 0 H GLY A 46 12.293 -16.928 -4.010 1.00 0.00 H new ATOM 0 HA2 GLY A 46 11.701 -15.167 -1.730 1.00 0.00 H new ATOM 0 HA3 GLY A 46 13.221 -16.039 -1.723 1.00 0.00 H new ATOM 635 N TRP A 47 14.104 -13.912 -2.778 1.00 0.00 N ATOM 636 CA TRP A 47 14.778 -12.869 -3.542 1.00 0.00 C ATOM 637 C TRP A 47 16.293 -13.023 -3.453 1.00 0.00 C ATOM 638 O TRP A 47 16.819 -13.510 -2.453 1.00 0.00 O ATOM 639 CB TRP A 47 14.363 -11.487 -3.036 1.00 0.00 C ATOM 640 CG TRP A 47 12.885 -11.250 -3.100 1.00 0.00 C ATOM 641 CD1 TRP A 47 11.944 -11.698 -2.218 1.00 0.00 C ATOM 642 CD2 TRP A 47 12.178 -10.509 -4.102 1.00 0.00 C ATOM 643 NE1 TRP A 47 10.694 -11.281 -2.611 1.00 0.00 N ATOM 644 CE2 TRP A 47 10.811 -10.549 -3.763 1.00 0.00 C ATOM 645 CE3 TRP A 47 12.567 -9.814 -5.250 1.00 0.00 C ATOM 646 CZ2 TRP A 47 9.835 -9.922 -4.533 1.00 0.00 C ATOM 647 CZ3 TRP A 47 11.597 -9.193 -6.013 1.00 0.00 C ATOM 648 CH2 TRP A 47 10.245 -9.249 -5.652 1.00 0.00 C ATOM 0 H TRP A 47 14.501 -14.081 -1.854 1.00 0.00 H new ATOM 0 HA TRP A 47 14.481 -12.969 -4.586 1.00 0.00 H new ATOM 0 HB2 TRP A 47 14.698 -11.370 -2.005 1.00 0.00 H new ATOM 0 HB3 TRP A 47 14.872 -10.724 -3.626 1.00 0.00 H new ATOM 0 HD1 TRP A 47 12.151 -12.293 -1.340 1.00 0.00 H new ATOM 0 HE1 TRP A 47 9.821 -11.484 -2.124 1.00 0.00 H new ATOM 0 HE3 TRP A 47 13.607 -9.763 -5.536 1.00 0.00 H new ATOM 0 HZ2 TRP A 47 8.792 -9.965 -4.257 1.00 0.00 H new ATOM 0 HZ3 TRP A 47 11.886 -8.655 -6.904 1.00 0.00 H new ATOM 0 HH2 TRP A 47 9.511 -8.751 -6.269 1.00 0.00 H new ATOM 659 N SER A 48 16.990 -12.604 -4.506 1.00 0.00 N ATOM 660 CA SER A 48 18.444 -12.699 -4.547 1.00 0.00 C ATOM 661 C SER A 48 19.085 -11.563 -3.757 1.00 0.00 C ATOM 662 O SER A 48 20.292 -11.334 -3.843 1.00 0.00 O ATOM 663 CB SER A 48 18.937 -12.671 -5.995 1.00 0.00 C ATOM 664 OG SER A 48 20.346 -12.815 -6.057 1.00 0.00 O ATOM 0 H SER A 48 16.570 -12.196 -5.341 1.00 0.00 H new ATOM 0 HA SER A 48 18.735 -13.645 -4.090 1.00 0.00 H new ATOM 0 HB2 SER A 48 18.461 -13.473 -6.560 1.00 0.00 H new ATOM 0 HB3 SER A 48 18.643 -11.732 -6.464 1.00 0.00 H new ATOM 0 HG SER A 48 20.756 -12.355 -5.295 1.00 0.00 H new ATOM 670 N CYS A 49 18.268 -10.852 -2.986 1.00 0.00 N ATOM 671 CA CYS A 49 18.753 -9.738 -2.180 1.00 0.00 C ATOM 672 C CYS A 49 19.002 -10.177 -0.740 1.00 0.00 C ATOM 673 O CYS A 49 20.076 -9.944 -0.185 1.00 0.00 O ATOM 674 CB CYS A 49 17.747 -8.586 -2.207 1.00 0.00 C ATOM 675 SG CYS A 49 16.024 -9.097 -1.918 1.00 0.00 S ATOM 0 H CYS A 49 17.267 -11.028 -2.903 1.00 0.00 H new ATOM 0 HA CYS A 49 19.697 -9.397 -2.606 1.00 0.00 H new ATOM 0 HB2 CYS A 49 18.029 -7.854 -1.451 1.00 0.00 H new ATOM 0 HB3 CYS A 49 17.809 -8.086 -3.174 1.00 0.00 H new ATOM 680 N CYS A 50 18.001 -10.813 -0.140 1.00 0.00 N ATOM 681 CA CYS A 50 18.110 -11.285 1.235 1.00 0.00 C ATOM 682 C CYS A 50 18.083 -12.810 1.291 1.00 0.00 C ATOM 683 O CYS A 50 18.055 -13.480 0.258 1.00 0.00 O ATOM 684 CB CYS A 50 16.972 -10.713 2.084 1.00 0.00 C ATOM 685 SG CYS A 50 15.341 -10.764 1.273 1.00 0.00 S ATOM 0 H CYS A 50 17.105 -11.013 -0.585 1.00 0.00 H new ATOM 0 HA CYS A 50 19.063 -10.941 1.636 1.00 0.00 H new ATOM 0 HB2 CYS A 50 16.918 -11.268 3.021 1.00 0.00 H new ATOM 0 HB3 CYS A 50 17.207 -9.680 2.339 1.00 0.00 H new ATOM 690 N LYS A 51 18.094 -13.352 2.504 1.00 0.00 N ATOM 691 CA LYS A 51 18.070 -14.797 2.697 1.00 0.00 C ATOM 692 C LYS A 51 16.638 -15.307 2.812 1.00 0.00 C ATOM 693 O LYS A 51 16.347 -16.454 2.471 1.00 0.00 O ATOM 694 CB LYS A 51 18.861 -15.178 3.950 1.00 0.00 C ATOM 695 CG LYS A 51 20.128 -14.364 4.141 1.00 0.00 C ATOM 696 CD LYS A 51 20.906 -14.821 5.363 1.00 0.00 C ATOM 697 CE LYS A 51 21.336 -16.274 5.239 1.00 0.00 C ATOM 698 NZ LYS A 51 22.028 -16.540 3.947 1.00 0.00 N ATOM 0 H LYS A 51 18.119 -12.812 3.369 1.00 0.00 H new ATOM 0 HA LYS A 51 18.533 -15.262 1.827 1.00 0.00 H new ATOM 0 HB2 LYS A 51 18.223 -15.052 4.825 1.00 0.00 H new ATOM 0 HB3 LYS A 51 19.123 -16.235 3.897 1.00 0.00 H new ATOM 0 HG2 LYS A 51 20.756 -14.453 3.255 1.00 0.00 H new ATOM 0 HG3 LYS A 51 19.872 -13.310 4.245 1.00 0.00 H new ATOM 0 HD2 LYS A 51 21.785 -14.190 5.493 1.00 0.00 H new ATOM 0 HD3 LYS A 51 20.291 -14.697 6.254 1.00 0.00 H new ATOM 0 HE2 LYS A 51 22.000 -16.528 6.065 1.00 0.00 H new ATOM 0 HE3 LYS A 51 20.462 -16.920 5.322 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 22.766 -17.258 4.090 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 21.339 -16.886 3.249 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 22.462 -15.662 3.599 1.00 0.00 H new ATOM 712 N ARG A 52 15.745 -14.447 3.293 1.00 0.00 N ATOM 713 CA ARG A 52 14.342 -14.811 3.453 1.00 0.00 C ATOM 714 C ARG A 52 13.898 -15.761 2.344 1.00 0.00 C ATOM 715 O ARG A 52 14.181 -15.534 1.168 1.00 0.00 O ATOM 716 CB ARG A 52 13.465 -13.558 3.449 1.00 0.00 C ATOM 717 CG ARG A 52 12.030 -13.818 3.877 1.00 0.00 C ATOM 718 CD ARG A 52 11.965 -14.412 5.275 1.00 0.00 C ATOM 719 NE ARG A 52 12.753 -13.643 6.234 1.00 0.00 N ATOM 720 CZ ARG A 52 13.155 -14.121 7.407 1.00 0.00 C ATOM 721 NH1 ARG A 52 12.844 -15.359 7.763 1.00 0.00 N ATOM 722 NH2 ARG A 52 13.870 -13.359 8.225 1.00 0.00 N ATOM 0 H ARG A 52 15.968 -13.494 3.579 1.00 0.00 H new ATOM 0 HA ARG A 52 14.230 -15.320 4.410 1.00 0.00 H new ATOM 0 HB2 ARG A 52 13.905 -12.815 4.114 1.00 0.00 H new ATOM 0 HB3 ARG A 52 13.464 -13.128 2.447 1.00 0.00 H new ATOM 0 HG2 ARG A 52 11.466 -12.885 3.850 1.00 0.00 H new ATOM 0 HG3 ARG A 52 11.555 -14.498 3.169 1.00 0.00 H new ATOM 0 HD2 ARG A 52 10.927 -14.448 5.605 1.00 0.00 H new ATOM 0 HD3 ARG A 52 12.328 -15.440 5.249 1.00 0.00 H new ATOM 0 HE ARG A 52 13.009 -12.686 5.990 1.00 0.00 H new ATOM 0 HH11 ARG A 52 12.295 -15.947 7.136 1.00 0.00 H new ATOM 0 HH12 ARG A 52 13.154 -15.724 8.664 1.00 0.00 H new ATOM 0 HH21 ARG A 52 14.111 -12.406 7.954 1.00 0.00 H new ATOM 0 HH22 ARG A 52 14.178 -13.726 9.125 1.00 0.00 H new ATOM 736 N ARG A 53 13.198 -16.824 2.728 1.00 0.00 N ATOM 737 CA ARG A 53 12.716 -17.809 1.767 1.00 0.00 C ATOM 738 C ARG A 53 11.462 -18.506 2.287 1.00 0.00 C ATOM 739 O ARG A 53 11.458 -19.063 3.386 1.00 0.00 O ATOM 740 CB ARG A 53 13.804 -18.843 1.475 1.00 0.00 C ATOM 741 CG ARG A 53 13.773 -19.375 0.051 1.00 0.00 C ATOM 742 CD ARG A 53 14.531 -18.464 -0.901 1.00 0.00 C ATOM 743 NE ARG A 53 15.979 -18.605 -0.756 1.00 0.00 N ATOM 744 CZ ARG A 53 16.853 -17.710 -1.202 1.00 0.00 C ATOM 745 NH1 ARG A 53 16.428 -16.615 -1.818 1.00 0.00 N ATOM 746 NH2 ARG A 53 18.153 -17.909 -1.033 1.00 0.00 N ATOM 0 H ARG A 53 12.952 -17.025 3.697 1.00 0.00 H new ATOM 0 HA ARG A 53 12.465 -17.287 0.844 1.00 0.00 H new ATOM 0 HB2 ARG A 53 14.779 -18.395 1.665 1.00 0.00 H new ATOM 0 HB3 ARG A 53 13.696 -19.677 2.168 1.00 0.00 H new ATOM 0 HG2 ARG A 53 14.209 -20.374 0.025 1.00 0.00 H new ATOM 0 HG3 ARG A 53 12.739 -19.470 -0.281 1.00 0.00 H new ATOM 0 HD2 ARG A 53 14.245 -18.694 -1.927 1.00 0.00 H new ATOM 0 HD3 ARG A 53 14.247 -17.428 -0.715 1.00 0.00 H new ATOM 0 HE ARG A 53 16.338 -19.436 -0.286 1.00 0.00 H new ATOM 0 HH11 ARG A 53 15.429 -16.459 -1.950 1.00 0.00 H new ATOM 0 HH12 ARG A 53 17.101 -15.929 -2.160 1.00 0.00 H new ATOM 0 HH21 ARG A 53 18.483 -18.750 -0.560 1.00 0.00 H new ATOM 0 HH22 ARG A 53 18.823 -17.221 -1.376 1.00 0.00 H new ATOM 760 N THR A 54 10.399 -18.472 1.490 1.00 0.00 N ATOM 761 CA THR A 54 9.139 -19.099 1.870 1.00 0.00 C ATOM 762 C THR A 54 8.587 -19.954 0.735 1.00 0.00 C ATOM 763 O THR A 54 8.813 -19.667 -0.441 1.00 0.00 O ATOM 764 CB THR A 54 8.085 -18.048 2.265 1.00 0.00 C ATOM 765 OG1 THR A 54 6.911 -18.696 2.768 1.00 0.00 O ATOM 766 CG2 THR A 54 7.717 -17.176 1.073 1.00 0.00 C ATOM 0 H THR A 54 10.385 -18.017 0.577 1.00 0.00 H new ATOM 0 HA THR A 54 9.349 -19.734 2.731 1.00 0.00 H new ATOM 0 HB THR A 54 8.511 -17.413 3.042 1.00 0.00 H new ATOM 0 HG1 THR A 54 6.837 -18.536 3.732 1.00 0.00 H new ATOM 0 HG21 THR A 54 6.971 -16.441 1.376 1.00 0.00 H new ATOM 0 HG22 THR A 54 8.607 -16.661 0.710 1.00 0.00 H new ATOM 0 HG23 THR A 54 7.309 -17.800 0.278 1.00 0.00 H new ATOM 774 N THR A 55 7.859 -21.008 1.094 1.00 0.00 N ATOM 775 CA THR A 55 7.275 -21.905 0.106 1.00 0.00 C ATOM 776 C THR A 55 5.859 -21.473 -0.260 1.00 0.00 C ATOM 777 O THR A 55 5.399 -21.704 -1.379 1.00 0.00 O ATOM 778 CB THR A 55 7.240 -23.358 0.618 1.00 0.00 C ATOM 779 OG1 THR A 55 6.353 -23.461 1.738 1.00 0.00 O ATOM 780 CG2 THR A 55 8.632 -23.823 1.020 1.00 0.00 C ATOM 0 H THR A 55 7.660 -21.260 2.062 1.00 0.00 H new ATOM 0 HA THR A 55 7.908 -21.855 -0.780 1.00 0.00 H new ATOM 0 HB THR A 55 6.880 -23.997 -0.189 1.00 0.00 H new ATOM 0 HG1 THR A 55 6.335 -24.388 2.057 1.00 0.00 H new ATOM 0 HG21 THR A 55 8.583 -24.851 1.378 1.00 0.00 H new ATOM 0 HG22 THR A 55 9.296 -23.771 0.157 1.00 0.00 H new ATOM 0 HG23 THR A 55 9.015 -23.181 1.813 1.00 0.00 H new ATOM 788 N ASP A 56 5.174 -20.845 0.688 1.00 0.00 N ATOM 789 CA ASP A 56 3.811 -20.378 0.464 1.00 0.00 C ATOM 790 C ASP A 56 3.795 -19.174 -0.472 1.00 0.00 C ATOM 791 O ASP A 56 4.161 -18.066 -0.082 1.00 0.00 O ATOM 792 CB ASP A 56 3.148 -20.014 1.794 1.00 0.00 C ATOM 793 CG ASP A 56 2.702 -21.236 2.572 1.00 0.00 C ATOM 794 OD1 ASP A 56 2.932 -22.364 2.089 1.00 0.00 O ATOM 795 OD2 ASP A 56 2.122 -21.065 3.665 1.00 0.00 O ATOM 0 H ASP A 56 5.540 -20.647 1.619 1.00 0.00 H new ATOM 0 HA ASP A 56 3.250 -21.187 -0.004 1.00 0.00 H new ATOM 0 HB2 ASP A 56 3.847 -19.437 2.399 1.00 0.00 H new ATOM 0 HB3 ASP A 56 2.287 -19.374 1.604 1.00 0.00 H new ATOM 800 N PHE A 57 3.370 -19.400 -1.711 1.00 0.00 N ATOM 801 CA PHE A 57 3.308 -18.334 -2.704 1.00 0.00 C ATOM 802 C PHE A 57 2.828 -17.030 -2.074 1.00 0.00 C ATOM 803 O PHE A 57 3.179 -15.942 -2.531 1.00 0.00 O ATOM 804 CB PHE A 57 2.378 -18.732 -3.853 1.00 0.00 C ATOM 805 CG PHE A 57 2.103 -17.612 -4.816 1.00 0.00 C ATOM 806 CD1 PHE A 57 3.127 -17.063 -5.570 1.00 0.00 C ATOM 807 CD2 PHE A 57 0.821 -17.111 -4.967 1.00 0.00 C ATOM 808 CE1 PHE A 57 2.877 -16.032 -6.457 1.00 0.00 C ATOM 809 CE2 PHE A 57 0.564 -16.080 -5.852 1.00 0.00 C ATOM 810 CZ PHE A 57 1.593 -15.541 -6.599 1.00 0.00 C ATOM 0 H PHE A 57 3.064 -20.312 -2.051 1.00 0.00 H new ATOM 0 HA PHE A 57 4.313 -18.178 -3.096 1.00 0.00 H new ATOM 0 HB2 PHE A 57 2.821 -19.567 -4.396 1.00 0.00 H new ATOM 0 HB3 PHE A 57 1.433 -19.086 -3.440 1.00 0.00 H new ATOM 0 HD1 PHE A 57 4.132 -17.444 -5.464 1.00 0.00 H new ATOM 0 HD2 PHE A 57 0.012 -17.530 -4.387 1.00 0.00 H new ATOM 0 HE1 PHE A 57 3.684 -15.611 -7.038 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -0.440 -15.697 -5.959 1.00 0.00 H new ATOM 0 HZ PHE A 57 1.395 -14.737 -7.293 1.00 0.00 H new ATOM 820 N SER A 58 2.023 -17.149 -1.023 1.00 0.00 N ATOM 821 CA SER A 58 1.491 -15.981 -0.332 1.00 0.00 C ATOM 822 C SER A 58 2.583 -15.278 0.469 1.00 0.00 C ATOM 823 O SER A 58 2.799 -14.075 0.322 1.00 0.00 O ATOM 824 CB SER A 58 0.345 -16.389 0.597 1.00 0.00 C ATOM 825 OG SER A 58 0.179 -15.450 1.645 1.00 0.00 O ATOM 0 H SER A 58 1.725 -18.043 -0.632 1.00 0.00 H new ATOM 0 HA SER A 58 1.112 -15.288 -1.083 1.00 0.00 H new ATOM 0 HB2 SER A 58 -0.580 -16.468 0.026 1.00 0.00 H new ATOM 0 HB3 SER A 58 0.546 -17.375 1.016 1.00 0.00 H new ATOM 0 HG SER A 58 -0.560 -15.733 2.223 1.00 0.00 H new ATOM 831 N ASP A 59 3.271 -16.038 1.314 1.00 0.00 N ATOM 832 CA ASP A 59 4.342 -15.490 2.138 1.00 0.00 C ATOM 833 C ASP A 59 5.375 -14.769 1.277 1.00 0.00 C ATOM 834 O ASP A 59 5.851 -13.691 1.634 1.00 0.00 O ATOM 835 CB ASP A 59 5.016 -16.603 2.941 1.00 0.00 C ATOM 836 CG ASP A 59 4.283 -16.913 4.231 1.00 0.00 C ATOM 837 OD1 ASP A 59 3.193 -17.518 4.164 1.00 0.00 O ATOM 838 OD2 ASP A 59 4.800 -16.551 5.309 1.00 0.00 O ATOM 0 H ASP A 59 3.106 -17.036 1.446 1.00 0.00 H new ATOM 0 HA ASP A 59 3.904 -14.769 2.828 1.00 0.00 H new ATOM 0 HB2 ASP A 59 5.070 -17.505 2.331 1.00 0.00 H new ATOM 0 HB3 ASP A 59 6.041 -16.312 3.170 1.00 0.00 H new ATOM 843 N PHE A 60 5.717 -15.371 0.144 1.00 0.00 N ATOM 844 CA PHE A 60 6.694 -14.788 -0.767 1.00 0.00 C ATOM 845 C PHE A 60 6.344 -13.337 -1.084 1.00 0.00 C ATOM 846 O PHE A 60 7.226 -12.484 -1.200 1.00 0.00 O ATOM 847 CB PHE A 60 6.766 -15.601 -2.061 1.00 0.00 C ATOM 848 CG PHE A 60 7.194 -14.794 -3.253 1.00 0.00 C ATOM 849 CD1 PHE A 60 8.536 -14.544 -3.491 1.00 0.00 C ATOM 850 CD2 PHE A 60 6.255 -14.284 -4.136 1.00 0.00 C ATOM 851 CE1 PHE A 60 8.934 -13.802 -4.587 1.00 0.00 C ATOM 852 CE2 PHE A 60 6.648 -13.542 -5.234 1.00 0.00 C ATOM 853 CZ PHE A 60 7.988 -13.300 -5.459 1.00 0.00 C ATOM 0 H PHE A 60 5.332 -16.263 -0.166 1.00 0.00 H new ATOM 0 HA PHE A 60 7.668 -14.810 -0.278 1.00 0.00 H new ATOM 0 HB2 PHE A 60 7.463 -16.428 -1.923 1.00 0.00 H new ATOM 0 HB3 PHE A 60 5.788 -16.038 -2.261 1.00 0.00 H new ATOM 0 HD1 PHE A 60 9.280 -14.934 -2.812 1.00 0.00 H new ATOM 0 HD2 PHE A 60 5.205 -14.468 -3.964 1.00 0.00 H new ATOM 0 HE1 PHE A 60 9.983 -13.615 -4.761 1.00 0.00 H new ATOM 0 HE2 PHE A 60 5.907 -13.152 -5.916 1.00 0.00 H new ATOM 0 HZ PHE A 60 8.296 -12.719 -6.316 1.00 0.00 H new ATOM 863 N LEU A 61 5.051 -13.063 -1.223 1.00 0.00 N ATOM 864 CA LEU A 61 4.583 -11.715 -1.527 1.00 0.00 C ATOM 865 C LEU A 61 4.530 -10.860 -0.265 1.00 0.00 C ATOM 866 O LEU A 61 4.424 -9.636 -0.337 1.00 0.00 O ATOM 867 CB LEU A 61 3.200 -11.769 -2.178 1.00 0.00 C ATOM 868 CG LEU A 61 3.082 -12.639 -3.430 1.00 0.00 C ATOM 869 CD1 LEU A 61 1.620 -12.881 -3.775 1.00 0.00 C ATOM 870 CD2 LEU A 61 3.808 -11.992 -4.600 1.00 0.00 C ATOM 0 H LEU A 61 4.309 -13.756 -1.130 1.00 0.00 H new ATOM 0 HA LEU A 61 5.288 -11.260 -2.223 1.00 0.00 H new ATOM 0 HB2 LEU A 61 2.486 -12.132 -1.439 1.00 0.00 H new ATOM 0 HB3 LEU A 61 2.902 -10.753 -2.436 1.00 0.00 H new ATOM 0 HG LEU A 61 3.551 -13.602 -3.226 1.00 0.00 H new ATOM 0 HD11 LEU A 61 1.555 -13.502 -4.669 1.00 0.00 H new ATOM 0 HD12 LEU A 61 1.129 -13.388 -2.944 1.00 0.00 H new ATOM 0 HD13 LEU A 61 1.127 -11.927 -3.960 1.00 0.00 H new ATOM 0 HD21 LEU A 61 3.713 -12.625 -5.482 1.00 0.00 H new ATOM 0 HD22 LEU A 61 3.369 -11.016 -4.805 1.00 0.00 H new ATOM 0 HD23 LEU A 61 4.862 -11.871 -4.352 1.00 0.00 H new ATOM 882 N SER A 62 4.609 -11.513 0.890 1.00 0.00 N ATOM 883 CA SER A 62 4.569 -10.812 2.168 1.00 0.00 C ATOM 884 C SER A 62 5.976 -10.455 2.637 1.00 0.00 C ATOM 885 O SER A 62 6.182 -9.439 3.302 1.00 0.00 O ATOM 886 CB SER A 62 3.872 -11.672 3.224 1.00 0.00 C ATOM 887 OG SER A 62 3.257 -10.866 4.213 1.00 0.00 O ATOM 0 H SER A 62 4.701 -12.526 0.967 1.00 0.00 H new ATOM 0 HA SER A 62 4.005 -9.889 2.030 1.00 0.00 H new ATOM 0 HB2 SER A 62 3.122 -12.303 2.747 1.00 0.00 H new ATOM 0 HB3 SER A 62 4.597 -12.338 3.692 1.00 0.00 H new ATOM 0 HG SER A 62 2.817 -11.439 4.875 1.00 0.00 H new ATOM 893 N ILE A 63 6.943 -11.298 2.285 1.00 0.00 N ATOM 894 CA ILE A 63 8.330 -11.071 2.668 1.00 0.00 C ATOM 895 C ILE A 63 8.656 -9.582 2.698 1.00 0.00 C ATOM 896 O ILE A 63 8.879 -8.962 1.658 1.00 0.00 O ATOM 897 CB ILE A 63 9.302 -11.778 1.705 1.00 0.00 C ATOM 898 CG1 ILE A 63 9.186 -13.296 1.851 1.00 0.00 C ATOM 899 CG2 ILE A 63 10.730 -11.324 1.966 1.00 0.00 C ATOM 900 CD1 ILE A 63 9.851 -14.064 0.730 1.00 0.00 C ATOM 0 H ILE A 63 6.790 -12.144 1.735 1.00 0.00 H new ATOM 0 HA ILE A 63 8.453 -11.487 3.668 1.00 0.00 H new ATOM 0 HB ILE A 63 9.036 -11.509 0.683 1.00 0.00 H new ATOM 0 HG12 ILE A 63 9.630 -13.597 2.800 1.00 0.00 H new ATOM 0 HG13 ILE A 63 8.132 -13.569 1.892 1.00 0.00 H new ATOM 0 HG21 ILE A 63 11.405 -11.832 1.278 1.00 0.00 H new ATOM 0 HG22 ILE A 63 10.802 -10.247 1.816 1.00 0.00 H new ATOM 0 HG23 ILE A 63 11.007 -11.567 2.992 1.00 0.00 H new ATOM 0 HD11 ILE A 63 9.729 -15.134 0.899 1.00 0.00 H new ATOM 0 HD12 ILE A 63 9.391 -13.792 -0.220 1.00 0.00 H new ATOM 0 HD13 ILE A 63 10.913 -13.820 0.702 1.00 0.00 H new ATOM 912 N VAL A 64 8.682 -9.012 3.899 1.00 0.00 N ATOM 913 CA VAL A 64 8.984 -7.595 4.067 1.00 0.00 C ATOM 914 C VAL A 64 10.347 -7.250 3.477 1.00 0.00 C ATOM 915 O VAL A 64 11.302 -8.014 3.605 1.00 0.00 O ATOM 916 CB VAL A 64 8.962 -7.189 5.552 1.00 0.00 C ATOM 917 CG1 VAL A 64 9.577 -8.281 6.414 1.00 0.00 C ATOM 918 CG2 VAL A 64 9.688 -5.867 5.753 1.00 0.00 C ATOM 0 H VAL A 64 8.498 -9.510 4.770 1.00 0.00 H new ATOM 0 HA VAL A 64 8.210 -7.041 3.535 1.00 0.00 H new ATOM 0 HB VAL A 64 7.925 -7.058 5.860 1.00 0.00 H new ATOM 0 HG11 VAL A 64 9.552 -7.976 7.460 1.00 0.00 H new ATOM 0 HG12 VAL A 64 9.010 -9.204 6.292 1.00 0.00 H new ATOM 0 HG13 VAL A 64 10.610 -8.447 6.109 1.00 0.00 H new ATOM 0 HG21 VAL A 64 9.663 -5.595 6.808 1.00 0.00 H new ATOM 0 HG22 VAL A 64 10.724 -5.968 5.429 1.00 0.00 H new ATOM 0 HG23 VAL A 64 9.198 -5.090 5.166 1.00 0.00 H new ATOM 928 N GLY A 65 10.428 -6.092 2.829 1.00 0.00 N ATOM 929 CA GLY A 65 11.678 -5.665 2.228 1.00 0.00 C ATOM 930 C GLY A 65 12.856 -5.820 3.170 1.00 0.00 C ATOM 931 O GLY A 65 12.720 -5.644 4.381 1.00 0.00 O ATOM 0 H GLY A 65 9.651 -5.442 2.710 1.00 0.00 H new ATOM 0 HA2 GLY A 65 11.860 -6.246 1.324 1.00 0.00 H new ATOM 0 HA3 GLY A 65 11.594 -4.621 1.924 1.00 0.00 H new ATOM 935 N CYS A 66 14.017 -6.151 2.613 1.00 0.00 N ATOM 936 CA CYS A 66 15.224 -6.332 3.411 1.00 0.00 C ATOM 937 C CYS A 66 16.106 -5.089 3.353 1.00 0.00 C ATOM 938 O CYS A 66 16.979 -4.892 4.199 1.00 0.00 O ATOM 939 CB CYS A 66 16.008 -7.550 2.918 1.00 0.00 C ATOM 940 SG CYS A 66 16.611 -7.403 1.205 1.00 0.00 S ATOM 0 H CYS A 66 14.147 -6.299 1.612 1.00 0.00 H new ATOM 0 HA CYS A 66 14.924 -6.495 4.446 1.00 0.00 H new ATOM 0 HB2 CYS A 66 16.859 -7.712 3.579 1.00 0.00 H new ATOM 0 HB3 CYS A 66 15.373 -8.433 2.994 1.00 0.00 H new ATOM 945 N THR A 67 15.872 -4.250 2.348 1.00 0.00 N ATOM 946 CA THR A 67 16.646 -3.026 2.178 1.00 0.00 C ATOM 947 C THR A 67 15.844 -1.805 2.616 1.00 0.00 C ATOM 948 O THR A 67 14.625 -1.875 2.779 1.00 0.00 O ATOM 949 CB THR A 67 17.085 -2.838 0.714 1.00 0.00 C ATOM 950 OG1 THR A 67 17.902 -3.941 0.303 1.00 0.00 O ATOM 951 CG2 THR A 67 17.858 -1.539 0.544 1.00 0.00 C ATOM 0 H THR A 67 15.153 -4.396 1.640 1.00 0.00 H new ATOM 0 HA THR A 67 17.532 -3.122 2.806 1.00 0.00 H new ATOM 0 HB THR A 67 16.191 -2.795 0.092 1.00 0.00 H new ATOM 0 HG1 THR A 67 18.846 -3.681 0.342 1.00 0.00 H new ATOM 0 HG21 THR A 67 18.158 -1.428 -0.498 1.00 0.00 H new ATOM 0 HG22 THR A 67 17.226 -0.699 0.831 1.00 0.00 H new ATOM 0 HG23 THR A 67 18.745 -1.558 1.177 1.00 0.00 H new ATOM 959 N LYS A 68 16.536 -0.687 2.806 1.00 0.00 N ATOM 960 CA LYS A 68 15.889 0.551 3.224 1.00 0.00 C ATOM 961 C LYS A 68 16.250 1.697 2.283 1.00 0.00 C ATOM 962 O LYS A 68 17.374 1.779 1.791 1.00 0.00 O ATOM 963 CB LYS A 68 16.298 0.906 4.655 1.00 0.00 C ATOM 964 CG LYS A 68 15.470 0.199 5.716 1.00 0.00 C ATOM 965 CD LYS A 68 14.223 0.992 6.070 1.00 0.00 C ATOM 966 CE LYS A 68 13.406 0.294 7.146 1.00 0.00 C ATOM 967 NZ LYS A 68 14.179 0.123 8.407 1.00 0.00 N ATOM 0 H LYS A 68 17.545 -0.613 2.677 1.00 0.00 H new ATOM 0 HA LYS A 68 14.810 0.399 3.188 1.00 0.00 H new ATOM 0 HB2 LYS A 68 17.349 0.653 4.797 1.00 0.00 H new ATOM 0 HB3 LYS A 68 16.208 1.983 4.793 1.00 0.00 H new ATOM 0 HG2 LYS A 68 15.184 -0.790 5.357 1.00 0.00 H new ATOM 0 HG3 LYS A 68 16.074 0.050 6.611 1.00 0.00 H new ATOM 0 HD2 LYS A 68 14.508 1.986 6.415 1.00 0.00 H new ATOM 0 HD3 LYS A 68 13.611 1.128 5.178 1.00 0.00 H new ATOM 0 HE2 LYS A 68 12.504 0.871 7.349 1.00 0.00 H new ATOM 0 HE3 LYS A 68 13.085 -0.682 6.782 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 13.531 -0.133 9.179 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 14.884 -0.631 8.282 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 14.662 1.014 8.642 1.00 0.00 H new ATOM 981 N GLY A 69 15.286 2.582 2.039 1.00 0.00 N ATOM 982 CA GLY A 69 15.523 3.712 1.160 1.00 0.00 C ATOM 983 C GLY A 69 14.306 4.606 1.025 1.00 0.00 C ATOM 984 O GLY A 69 13.458 4.649 1.917 1.00 0.00 O ATOM 0 H GLY A 69 14.347 2.536 2.434 1.00 0.00 H new ATOM 0 HA2 GLY A 69 16.359 4.297 1.543 1.00 0.00 H new ATOM 0 HA3 GLY A 69 15.813 3.347 0.175 1.00 0.00 H new ATOM 988 N ARG A 70 14.222 5.322 -0.091 1.00 0.00 N ATOM 989 CA ARG A 70 13.101 6.222 -0.337 1.00 0.00 C ATOM 990 C ARG A 70 12.132 5.618 -1.349 1.00 0.00 C ATOM 991 O ARG A 70 12.526 5.232 -2.449 1.00 0.00 O ATOM 992 CB ARG A 70 13.606 7.574 -0.844 1.00 0.00 C ATOM 993 CG ARG A 70 14.848 8.069 -0.121 1.00 0.00 C ATOM 994 CD ARG A 70 15.202 9.490 -0.531 1.00 0.00 C ATOM 995 NE ARG A 70 16.163 10.101 0.384 1.00 0.00 N ATOM 996 CZ ARG A 70 16.462 11.395 0.380 1.00 0.00 C ATOM 997 NH1 ARG A 70 15.875 12.211 -0.485 1.00 0.00 N ATOM 998 NH2 ARG A 70 17.347 11.876 1.244 1.00 0.00 N ATOM 0 H ARG A 70 14.916 5.297 -0.839 1.00 0.00 H new ATOM 0 HA ARG A 70 12.572 6.369 0.605 1.00 0.00 H new ATOM 0 HB2 ARG A 70 13.823 7.495 -1.909 1.00 0.00 H new ATOM 0 HB3 ARG A 70 12.813 8.313 -0.734 1.00 0.00 H new ATOM 0 HG2 ARG A 70 14.683 8.030 0.956 1.00 0.00 H new ATOM 0 HG3 ARG A 70 15.686 7.407 -0.339 1.00 0.00 H new ATOM 0 HD2 ARG A 70 15.615 9.484 -1.540 1.00 0.00 H new ATOM 0 HD3 ARG A 70 14.296 10.095 -0.562 1.00 0.00 H new ATOM 0 HE ARG A 70 16.630 9.501 1.063 1.00 0.00 H new ATOM 0 HH11 ARG A 70 15.192 11.845 -1.149 1.00 0.00 H new ATOM 0 HH12 ARG A 70 16.106 13.204 -0.486 1.00 0.00 H new ATOM 0 HH21 ARG A 70 17.799 11.252 1.912 1.00 0.00 H new ATOM 0 HH22 ARG A 70 17.576 12.870 1.240 1.00 0.00 H new ATOM 1012 N HIS A 71 10.859 5.539 -0.968 1.00 0.00 N ATOM 1013 CA HIS A 71 9.833 4.983 -1.842 1.00 0.00 C ATOM 1014 C HIS A 71 9.987 5.509 -3.266 1.00 0.00 C ATOM 1015 O HIS A 71 10.189 6.704 -3.477 1.00 0.00 O ATOM 1016 CB HIS A 71 8.441 5.322 -1.309 1.00 0.00 C ATOM 1017 CG HIS A 71 8.209 4.861 0.097 1.00 0.00 C ATOM 1018 ND1 HIS A 71 7.538 3.697 0.407 1.00 0.00 N ATOM 1019 CD2 HIS A 71 8.564 5.415 1.280 1.00 0.00 C ATOM 1020 CE1 HIS A 71 7.490 3.555 1.719 1.00 0.00 C ATOM 1021 NE2 HIS A 71 8.106 4.584 2.273 1.00 0.00 N ATOM 0 H HIS A 71 10.515 5.853 -0.060 1.00 0.00 H new ATOM 0 HA HIS A 71 9.954 3.900 -1.859 1.00 0.00 H new ATOM 0 HB2 HIS A 71 8.295 6.401 -1.357 1.00 0.00 H new ATOM 0 HB3 HIS A 71 7.692 4.870 -1.959 1.00 0.00 H new ATOM 0 HD2 HIS A 71 9.106 6.339 1.417 1.00 0.00 H new ATOM 0 HE1 HIS A 71 7.026 2.737 2.249 1.00 0.00 H new ATOM 0 HE2 HIS A 71 8.222 4.736 3.275 1.00 0.00 H new ATOM 1029 N ASN A 72 9.893 4.608 -4.238 1.00 0.00 N ATOM 1030 CA ASN A 72 10.024 4.981 -5.642 1.00 0.00 C ATOM 1031 C ASN A 72 8.665 5.336 -6.239 1.00 0.00 C ATOM 1032 O ASN A 72 7.825 4.463 -6.458 1.00 0.00 O ATOM 1033 CB ASN A 72 10.661 3.840 -6.437 1.00 0.00 C ATOM 1034 CG ASN A 72 12.151 3.719 -6.182 1.00 0.00 C ATOM 1035 OD1 ASN A 72 12.664 4.227 -5.184 1.00 0.00 O ATOM 1036 ND2 ASN A 72 12.854 3.045 -7.085 1.00 0.00 N ATOM 0 H ASN A 72 9.727 3.614 -4.080 1.00 0.00 H new ATOM 0 HA ASN A 72 10.668 5.859 -5.701 1.00 0.00 H new ATOM 0 HB2 ASN A 72 10.173 2.901 -6.175 1.00 0.00 H new ATOM 0 HB3 ASN A 72 10.489 4.002 -7.501 1.00 0.00 H new ATOM 0 HD21 ASN A 72 13.861 2.932 -6.967 1.00 0.00 H new ATOM 0 HD22 ASN A 72 12.387 2.641 -7.897 1.00 0.00 H new ATOM 1043 N SER A 73 8.458 6.622 -6.501 1.00 0.00 N ATOM 1044 CA SER A 73 7.201 7.093 -7.071 1.00 0.00 C ATOM 1045 C SER A 73 7.184 6.900 -8.584 1.00 0.00 C ATOM 1046 O SER A 73 6.262 7.345 -9.267 1.00 0.00 O ATOM 1047 CB SER A 73 6.983 8.569 -6.731 1.00 0.00 C ATOM 1048 OG SER A 73 6.077 9.173 -7.637 1.00 0.00 O ATOM 0 H SER A 73 9.144 7.357 -6.328 1.00 0.00 H new ATOM 0 HA SER A 73 6.392 6.505 -6.638 1.00 0.00 H new ATOM 0 HB2 SER A 73 6.599 8.658 -5.715 1.00 0.00 H new ATOM 0 HB3 SER A 73 7.936 9.097 -6.759 1.00 0.00 H new ATOM 0 HG SER A 73 5.574 8.477 -8.109 1.00 0.00 H new ATOM 1054 N GLU A 74 8.212 6.234 -9.101 1.00 0.00 N ATOM 1055 CA GLU A 74 8.316 5.983 -10.534 1.00 0.00 C ATOM 1056 C GLU A 74 8.679 4.526 -10.806 1.00 0.00 C ATOM 1057 O GLU A 74 9.653 4.004 -10.264 1.00 0.00 O ATOM 1058 CB GLU A 74 9.363 6.906 -11.161 1.00 0.00 C ATOM 1059 CG GLU A 74 9.014 8.381 -11.059 1.00 0.00 C ATOM 1060 CD GLU A 74 9.890 9.251 -11.939 1.00 0.00 C ATOM 1061 OE1 GLU A 74 10.744 8.694 -12.659 1.00 0.00 O ATOM 1062 OE2 GLU A 74 9.722 10.488 -11.907 1.00 0.00 O ATOM 0 H GLU A 74 8.984 5.859 -8.550 1.00 0.00 H new ATOM 0 HA GLU A 74 7.345 6.188 -10.984 1.00 0.00 H new ATOM 0 HB2 GLU A 74 10.324 6.734 -10.675 1.00 0.00 H new ATOM 0 HB3 GLU A 74 9.485 6.642 -12.211 1.00 0.00 H new ATOM 0 HG2 GLU A 74 7.970 8.523 -11.338 1.00 0.00 H new ATOM 0 HG3 GLU A 74 9.113 8.703 -10.022 1.00 0.00 H new ATOM 1069 N LYS A 75 7.886 3.873 -11.650 1.00 0.00 N ATOM 1070 CA LYS A 75 8.122 2.477 -11.997 1.00 0.00 C ATOM 1071 C LYS A 75 9.582 2.248 -12.372 1.00 0.00 C ATOM 1072 O LYS A 75 9.858 1.423 -13.242 1.00 0.00 O ATOM 1073 CB LYS A 75 7.214 2.058 -13.155 1.00 0.00 C ATOM 1074 CG LYS A 75 5.851 1.558 -12.710 1.00 0.00 C ATOM 1075 CD LYS A 75 5.886 0.081 -12.355 1.00 0.00 C ATOM 1076 CE LYS A 75 4.523 -0.568 -12.532 1.00 0.00 C ATOM 1077 NZ LYS A 75 4.462 -1.912 -11.896 1.00 0.00 N ATOM 0 H LYS A 75 7.074 4.289 -12.106 1.00 0.00 H new ATOM 0 HA LYS A 75 7.891 1.867 -11.123 1.00 0.00 H new ATOM 0 HB2 LYS A 75 7.079 2.907 -13.825 1.00 0.00 H new ATOM 0 HB3 LYS A 75 7.709 1.275 -13.729 1.00 0.00 H new ATOM 0 HG2 LYS A 75 5.516 2.133 -11.846 1.00 0.00 H new ATOM 0 HG3 LYS A 75 5.124 1.725 -13.505 1.00 0.00 H new ATOM 0 HD2 LYS A 75 6.617 -0.428 -12.984 1.00 0.00 H new ATOM 0 HD3 LYS A 75 6.215 -0.038 -11.323 1.00 0.00 H new ATOM 0 HE2 LYS A 75 3.756 0.074 -12.099 1.00 0.00 H new ATOM 0 HE3 LYS A 75 4.299 -0.659 -13.595 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 3.517 -2.321 -12.039 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 5.177 -2.533 -12.327 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 4.650 -1.823 -10.877 1.00 0.00 H new TER 1091 LYS A 75 HETATM 1092 ZN ZN A 201 8.111 2.094 -0.405 1.00 0.00 ZN HETATM 1093 ZN ZN A 401 15.097 -8.892 0.115 1.00 0.00 ZN