USER MOD reduce.3.24.130724 H: found=0, std=0, add=640, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 640 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 71 SER OG : rot 180:sc= 0.358 USER MOD Set 1.2: A 75 LYS NZ :NH3+ -142:sc= 0.392 (180deg=0) USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 13 CYS SG : rot 180:sc= 0 USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 LYS NZ :NH3+ -163:sc= 2.02 (180deg=1.57) USER MOD Single : A 19 TYR OH : rot -65:sc= 1.27 USER MOD Single : A 21 GLN : amide:sc= -1.25 X(o=-1.2,f=-1.4) USER MOD Single : A 23 LYS NZ :NH3+ 159:sc= 1.04 (180deg=-0.207) USER MOD Single : A 25 LYS NZ :NH3+ -141:sc= 0.459 (180deg=-0.553!) USER MOD Single : A 28 HIS : no HE2:sc= -0.25 K(o=-0.25,f=-2) USER MOD Single : A 33 CYS SG : rot 56:sc= 0.184 USER MOD Single : A 37 CYS SG : rot 67:sc= 0.448 USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 HIS : no HE2:sc= 0.829 K(o=0.83,f=-4.4!) USER MOD Single : A 59 SER OG : rot 83:sc= 1.77 USER MOD Single : A 60 LYS NZ :NH3+ -171:sc= 0.601 (180deg=0.554) USER MOD Single : A 61 LYS NZ :NH3+ -172:sc=-0.00619 (180deg=-0.087) USER MOD Single : A 66 TYR OH : rot 180:sc= -0.0802 USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 LYS NZ :NH3+ -162:sc= 2.54 (180deg=1.32) USER MOD Single : A 78 THR OG1 : rot 95:sc= 1.23 USER MOD Single : A 81 LYS NZ :NH3+ 166:sc= 0.0463! (180deg=-0.065) USER MOD Single : A 86 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 87 CYS SG : rot 180:sc= 0 USER MOD Single : A 88 GLN : amide:sc= -0.165 X(o=-0.17,f=0) USER MOD ----------------------------------------------------------------- ATOM 20 N ALA A 2 4.340 1.420 -2.007 1.00 0.00 N ATOM 21 CA ALA A 2 4.971 2.452 -2.841 1.00 0.00 C ATOM 22 C ALA A 2 4.086 2.870 -4.038 1.00 0.00 C ATOM 23 O ALA A 2 3.165 2.140 -4.417 1.00 0.00 O ATOM 24 CB ALA A 2 6.348 1.961 -3.305 1.00 0.00 C ATOM 0 HA ALA A 2 5.095 3.349 -2.234 1.00 0.00 H new ATOM 0 HB1 ALA A 2 6.817 2.726 -3.924 1.00 0.00 H new ATOM 0 HB2 ALA A 2 6.975 1.762 -2.436 1.00 0.00 H new ATOM 0 HB3 ALA A 2 6.231 1.046 -3.885 1.00 0.00 H new ATOM 30 N LEU A 3 4.377 4.033 -4.636 1.00 0.00 N ATOM 31 CA LEU A 3 3.449 4.765 -5.502 1.00 0.00 C ATOM 32 C LEU A 3 4.113 5.256 -6.798 1.00 0.00 C ATOM 33 O LEU A 3 5.115 5.956 -6.767 1.00 0.00 O ATOM 34 CB LEU A 3 2.877 5.945 -4.696 1.00 0.00 C ATOM 35 CG LEU A 3 1.478 6.415 -5.129 1.00 0.00 C ATOM 36 CD1 LEU A 3 0.403 5.352 -4.887 1.00 0.00 C ATOM 37 CD2 LEU A 3 1.066 7.661 -4.343 1.00 0.00 C ATOM 0 H LEU A 3 5.279 4.497 -4.529 1.00 0.00 H new ATOM 0 HA LEU A 3 2.651 4.091 -5.814 1.00 0.00 H new ATOM 0 HB2 LEU A 3 2.838 5.661 -3.644 1.00 0.00 H new ATOM 0 HB3 LEU A 3 3.566 6.786 -4.774 1.00 0.00 H new ATOM 0 HG LEU A 3 1.547 6.623 -6.197 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -0.566 5.734 -5.210 1.00 0.00 H new ATOM 0 HD12 LEU A 3 0.646 4.453 -5.454 1.00 0.00 H new ATOM 0 HD13 LEU A 3 0.362 5.111 -3.825 1.00 0.00 H new ATOM 0 HD21 LEU A 3 0.074 7.981 -4.662 1.00 0.00 H new ATOM 0 HD22 LEU A 3 1.048 7.430 -3.278 1.00 0.00 H new ATOM 0 HD23 LEU A 3 1.782 8.462 -4.529 1.00 0.00 H new ATOM 49 N ALA A 4 3.526 4.884 -7.929 1.00 0.00 N ATOM 50 CA ALA A 4 4.020 5.064 -9.295 1.00 0.00 C ATOM 51 C ALA A 4 3.795 6.478 -9.883 1.00 0.00 C ATOM 52 O ALA A 4 2.740 6.741 -10.467 1.00 0.00 O ATOM 53 CB ALA A 4 3.338 3.970 -10.132 1.00 0.00 C ATOM 0 H ALA A 4 2.622 4.412 -7.917 1.00 0.00 H new ATOM 0 HA ALA A 4 5.106 4.972 -9.305 1.00 0.00 H new ATOM 0 HB1 ALA A 4 3.665 4.048 -11.169 1.00 0.00 H new ATOM 0 HB2 ALA A 4 3.608 2.990 -9.739 1.00 0.00 H new ATOM 0 HB3 ALA A 4 2.256 4.095 -10.082 1.00 0.00 H new ATOM 59 N VAL A 5 4.774 7.386 -9.795 1.00 0.00 N ATOM 60 CA VAL A 5 4.761 8.677 -10.504 1.00 0.00 C ATOM 61 C VAL A 5 5.345 8.492 -11.903 1.00 0.00 C ATOM 62 O VAL A 5 6.282 7.726 -12.110 1.00 0.00 O ATOM 63 CB VAL A 5 5.507 9.804 -9.759 1.00 0.00 C ATOM 64 CG1 VAL A 5 5.285 11.208 -10.340 1.00 0.00 C ATOM 65 CG2 VAL A 5 5.185 9.912 -8.268 1.00 0.00 C ATOM 0 H VAL A 5 5.608 7.246 -9.224 1.00 0.00 H new ATOM 0 HA VAL A 5 3.720 8.995 -10.561 1.00 0.00 H new ATOM 0 HB VAL A 5 6.541 9.490 -9.900 1.00 0.00 H new ATOM 0 HG11 VAL A 5 5.846 11.937 -9.755 1.00 0.00 H new ATOM 0 HG12 VAL A 5 5.627 11.232 -11.375 1.00 0.00 H new ATOM 0 HG13 VAL A 5 4.224 11.453 -10.303 1.00 0.00 H new ATOM 0 HG21 VAL A 5 5.756 10.731 -7.831 1.00 0.00 H new ATOM 0 HG22 VAL A 5 4.120 10.103 -8.139 1.00 0.00 H new ATOM 0 HG23 VAL A 5 5.449 8.979 -7.770 1.00 0.00 H new ATOM 75 N ARG A 6 4.807 9.198 -12.887 1.00 0.00 N ATOM 76 CA ARG A 6 5.380 9.402 -14.234 1.00 0.00 C ATOM 77 C ARG A 6 5.426 10.891 -14.571 1.00 0.00 C ATOM 78 O ARG A 6 4.704 11.690 -13.975 1.00 0.00 O ATOM 79 CB ARG A 6 4.653 8.597 -15.343 1.00 0.00 C ATOM 80 CG ARG A 6 5.290 7.217 -15.611 1.00 0.00 C ATOM 81 CD ARG A 6 4.718 6.174 -14.651 1.00 0.00 C ATOM 82 NE ARG A 6 5.540 4.951 -14.502 1.00 0.00 N ATOM 83 CZ ARG A 6 5.916 4.417 -13.350 1.00 0.00 C ATOM 84 NH1 ARG A 6 5.778 5.048 -12.234 1.00 0.00 N ATOM 85 NH2 ARG A 6 6.463 3.244 -13.242 1.00 0.00 N ATOM 0 H ARG A 6 3.912 9.674 -12.774 1.00 0.00 H new ATOM 0 HA ARG A 6 6.397 9.011 -14.204 1.00 0.00 H new ATOM 0 HB2 ARG A 6 3.610 8.459 -15.058 1.00 0.00 H new ATOM 0 HB3 ARG A 6 4.657 9.177 -16.266 1.00 0.00 H new ATOM 0 HG2 ARG A 6 5.101 6.915 -16.641 1.00 0.00 H new ATOM 0 HG3 ARG A 6 6.372 7.278 -15.490 1.00 0.00 H new ATOM 0 HD2 ARG A 6 4.593 6.633 -13.670 1.00 0.00 H new ATOM 0 HD3 ARG A 6 3.725 5.888 -14.997 1.00 0.00 H new ATOM 0 HE ARG A 6 5.841 4.482 -15.356 1.00 0.00 H new ATOM 0 HH11 ARG A 6 5.370 5.983 -12.224 1.00 0.00 H new ATOM 0 HH12 ARG A 6 6.076 4.612 -11.361 1.00 0.00 H new ATOM 0 HH21 ARG A 6 6.625 2.678 -14.075 1.00 0.00 H new ATOM 0 HH22 ARG A 6 6.731 2.889 -12.324 1.00 0.00 H new ATOM 99 N VAL A 7 6.253 11.223 -15.560 1.00 0.00 N ATOM 100 CA VAL A 7 6.521 12.561 -16.114 1.00 0.00 C ATOM 101 C VAL A 7 6.502 12.438 -17.642 1.00 0.00 C ATOM 102 O VAL A 7 7.533 12.123 -18.244 1.00 0.00 O ATOM 103 CB VAL A 7 7.891 13.114 -15.628 1.00 0.00 C ATOM 104 CG1 VAL A 7 8.074 14.577 -16.045 1.00 0.00 C ATOM 105 CG2 VAL A 7 8.132 13.049 -14.114 1.00 0.00 C ATOM 0 H VAL A 7 6.801 10.508 -16.038 1.00 0.00 H new ATOM 0 HA VAL A 7 5.760 13.263 -15.773 1.00 0.00 H new ATOM 0 HB VAL A 7 8.611 12.451 -16.107 1.00 0.00 H new ATOM 0 HG11 VAL A 7 9.040 14.938 -15.692 1.00 0.00 H new ATOM 0 HG12 VAL A 7 8.033 14.654 -17.132 1.00 0.00 H new ATOM 0 HG13 VAL A 7 7.279 15.182 -15.608 1.00 0.00 H new ATOM 0 HG21 VAL A 7 9.115 13.459 -13.884 1.00 0.00 H new ATOM 0 HG22 VAL A 7 7.367 13.630 -13.599 1.00 0.00 H new ATOM 0 HG23 VAL A 7 8.085 12.012 -13.782 1.00 0.00 H new ATOM 115 N VAL A 8 5.340 12.584 -18.282 1.00 0.00 N ATOM 116 CA VAL A 8 5.238 12.486 -19.751 1.00 0.00 C ATOM 117 C VAL A 8 5.827 13.747 -20.373 1.00 0.00 C ATOM 118 O VAL A 8 5.350 14.835 -20.048 1.00 0.00 O ATOM 119 CB VAL A 8 3.795 12.294 -20.249 1.00 0.00 C ATOM 120 CG1 VAL A 8 3.771 11.991 -21.754 1.00 0.00 C ATOM 121 CG2 VAL A 8 3.080 11.149 -19.523 1.00 0.00 C ATOM 0 H VAL A 8 4.454 12.770 -17.812 1.00 0.00 H new ATOM 0 HA VAL A 8 5.794 11.599 -20.055 1.00 0.00 H new ATOM 0 HB VAL A 8 3.275 13.229 -20.040 1.00 0.00 H new ATOM 0 HG11 VAL A 8 2.740 11.859 -22.082 1.00 0.00 H new ATOM 0 HG12 VAL A 8 4.222 12.820 -22.299 1.00 0.00 H new ATOM 0 HG13 VAL A 8 4.334 11.078 -21.950 1.00 0.00 H new ATOM 0 HG21 VAL A 8 2.065 11.052 -19.908 1.00 0.00 H new ATOM 0 HG22 VAL A 8 3.622 10.218 -19.689 1.00 0.00 H new ATOM 0 HG23 VAL A 8 3.044 11.362 -18.455 1.00 0.00 H new ATOM 131 N TYR A 9 6.861 13.647 -21.219 1.00 0.00 N ATOM 132 CA TYR A 9 7.395 14.845 -21.879 1.00 0.00 C ATOM 133 C TYR A 9 8.036 14.553 -23.233 1.00 0.00 C ATOM 134 O TYR A 9 8.757 13.576 -23.412 1.00 0.00 O ATOM 135 CB TYR A 9 8.407 15.556 -20.965 1.00 0.00 C ATOM 136 CG TYR A 9 9.056 16.802 -21.552 1.00 0.00 C ATOM 137 CD1 TYR A 9 8.255 17.828 -22.086 1.00 0.00 C ATOM 138 CD2 TYR A 9 10.460 16.932 -21.577 1.00 0.00 C ATOM 139 CE1 TYR A 9 8.836 18.950 -22.704 1.00 0.00 C ATOM 140 CE2 TYR A 9 11.052 18.074 -22.156 1.00 0.00 C ATOM 141 CZ TYR A 9 10.239 19.074 -22.739 1.00 0.00 C ATOM 142 OH TYR A 9 10.805 20.160 -23.327 1.00 0.00 O ATOM 0 H TYR A 9 7.333 12.775 -21.458 1.00 0.00 H new ATOM 0 HA TYR A 9 6.541 15.496 -22.066 1.00 0.00 H new ATOM 0 HB2 TYR A 9 7.903 15.832 -20.039 1.00 0.00 H new ATOM 0 HB3 TYR A 9 9.193 14.848 -20.701 1.00 0.00 H new ATOM 0 HD1 TYR A 9 7.180 17.753 -22.021 1.00 0.00 H new ATOM 0 HD2 TYR A 9 11.082 16.157 -21.153 1.00 0.00 H new ATOM 0 HE1 TYR A 9 8.211 19.711 -23.148 1.00 0.00 H new ATOM 0 HE2 TYR A 9 12.126 18.185 -22.154 1.00 0.00 H new ATOM 0 HH TYR A 9 11.781 20.094 -23.266 1.00 0.00 H new ATOM 152 N SER A 10 7.865 15.484 -24.167 1.00 0.00 N ATOM 153 CA SER A 10 8.595 15.503 -25.440 1.00 0.00 C ATOM 154 C SER A 10 10.040 15.940 -25.207 1.00 0.00 C ATOM 155 O SER A 10 10.381 17.120 -25.291 1.00 0.00 O ATOM 156 CB SER A 10 7.912 16.405 -26.461 1.00 0.00 C ATOM 157 OG SER A 10 8.265 15.995 -27.763 1.00 0.00 O ATOM 0 H SER A 10 7.209 16.258 -24.064 1.00 0.00 H new ATOM 0 HA SER A 10 8.595 14.493 -25.849 1.00 0.00 H new ATOM 0 HB2 SER A 10 6.830 16.360 -26.335 1.00 0.00 H new ATOM 0 HB3 SER A 10 8.209 17.442 -26.302 1.00 0.00 H new ATOM 0 HG SER A 10 7.824 16.574 -28.419 1.00 0.00 H new ATOM 163 N GLY A 11 10.898 14.980 -24.861 1.00 0.00 N ATOM 164 CA GLY A 11 12.236 15.211 -24.312 1.00 0.00 C ATOM 165 C GLY A 11 13.270 15.896 -25.219 1.00 0.00 C ATOM 166 O GLY A 11 14.444 15.980 -24.844 1.00 0.00 O ATOM 0 H GLY A 11 10.675 13.989 -24.958 1.00 0.00 H new ATOM 0 HA2 GLY A 11 12.129 15.814 -23.410 1.00 0.00 H new ATOM 0 HA3 GLY A 11 12.644 14.248 -24.006 1.00 0.00 H new ATOM 170 N ALA A 12 12.849 16.388 -26.387 1.00 0.00 N ATOM 171 CA ALA A 12 13.694 16.838 -27.499 1.00 0.00 C ATOM 172 C ALA A 12 14.692 17.962 -27.149 1.00 0.00 C ATOM 173 O ALA A 12 15.733 18.087 -27.789 1.00 0.00 O ATOM 174 CB ALA A 12 12.766 17.261 -28.644 1.00 0.00 C ATOM 0 H ALA A 12 11.856 16.489 -26.595 1.00 0.00 H new ATOM 0 HA ALA A 12 14.334 16.003 -27.784 1.00 0.00 H new ATOM 0 HB1 ALA A 12 13.363 17.602 -29.489 1.00 0.00 H new ATOM 0 HB2 ALA A 12 12.156 16.412 -28.950 1.00 0.00 H new ATOM 0 HB3 ALA A 12 12.118 18.070 -28.307 1.00 0.00 H new ATOM 180 N CYS A 13 14.422 18.747 -26.101 1.00 0.00 N ATOM 181 CA CYS A 13 15.335 19.765 -25.583 1.00 0.00 C ATOM 182 C CYS A 13 15.976 19.304 -24.259 1.00 0.00 C ATOM 183 O CYS A 13 15.631 19.786 -23.178 1.00 0.00 O ATOM 184 CB CYS A 13 14.587 21.104 -25.491 1.00 0.00 C ATOM 185 SG CYS A 13 15.757 22.440 -25.107 1.00 0.00 S ATOM 0 H CYS A 13 13.546 18.690 -25.581 1.00 0.00 H new ATOM 0 HA CYS A 13 16.173 19.914 -26.264 1.00 0.00 H new ATOM 0 HB2 CYS A 13 14.080 21.313 -26.433 1.00 0.00 H new ATOM 0 HB3 CYS A 13 13.818 21.049 -24.720 1.00 0.00 H new ATOM 0 HG CYS A 13 15.117 23.569 -25.033 1.00 0.00 H new ATOM 191 N GLY A 14 16.923 18.360 -24.325 1.00 0.00 N ATOM 192 CA GLY A 14 17.793 17.948 -23.208 1.00 0.00 C ATOM 193 C GLY A 14 17.060 17.559 -21.913 1.00 0.00 C ATOM 194 O GLY A 14 17.279 18.166 -20.860 1.00 0.00 O ATOM 0 H GLY A 14 17.114 17.843 -25.183 1.00 0.00 H new ATOM 0 HA2 GLY A 14 18.397 17.101 -23.533 1.00 0.00 H new ATOM 0 HA3 GLY A 14 18.481 18.763 -22.985 1.00 0.00 H new ATOM 198 N TYR A 15 16.164 16.572 -21.988 1.00 0.00 N ATOM 199 CA TYR A 15 15.294 16.148 -20.883 1.00 0.00 C ATOM 200 C TYR A 15 16.001 15.577 -19.649 1.00 0.00 C ATOM 201 O TYR A 15 15.648 15.948 -18.535 1.00 0.00 O ATOM 202 CB TYR A 15 14.262 15.143 -21.407 1.00 0.00 C ATOM 203 CG TYR A 15 14.762 13.743 -21.753 1.00 0.00 C ATOM 204 CD1 TYR A 15 15.558 13.509 -22.894 1.00 0.00 C ATOM 205 CD2 TYR A 15 14.391 12.654 -20.938 1.00 0.00 C ATOM 206 CE1 TYR A 15 15.979 12.202 -23.212 1.00 0.00 C ATOM 207 CE2 TYR A 15 14.796 11.344 -21.258 1.00 0.00 C ATOM 208 CZ TYR A 15 15.591 11.115 -22.403 1.00 0.00 C ATOM 209 OH TYR A 15 15.994 9.856 -22.718 1.00 0.00 O ATOM 0 H TYR A 15 16.018 16.030 -22.840 1.00 0.00 H new ATOM 0 HA TYR A 15 14.823 17.064 -20.525 1.00 0.00 H new ATOM 0 HB2 TYR A 15 13.476 15.045 -20.658 1.00 0.00 H new ATOM 0 HB3 TYR A 15 13.801 15.567 -22.299 1.00 0.00 H new ATOM 0 HD1 TYR A 15 15.846 14.335 -23.527 1.00 0.00 H new ATOM 0 HD2 TYR A 15 13.789 12.827 -20.058 1.00 0.00 H new ATOM 0 HE1 TYR A 15 16.601 12.033 -24.079 1.00 0.00 H new ATOM 0 HE2 TYR A 15 14.500 10.517 -20.630 1.00 0.00 H new ATOM 0 HH TYR A 15 15.640 9.224 -22.057 1.00 0.00 H new ATOM 219 N LYS A 16 16.977 14.676 -19.825 1.00 0.00 N ATOM 220 CA LYS A 16 17.526 13.806 -18.763 1.00 0.00 C ATOM 221 C LYS A 16 17.840 14.524 -17.435 1.00 0.00 C ATOM 222 O LYS A 16 17.287 14.102 -16.422 1.00 0.00 O ATOM 223 CB LYS A 16 18.710 12.969 -19.290 1.00 0.00 C ATOM 224 CG LYS A 16 18.268 12.032 -20.428 1.00 0.00 C ATOM 225 CD LYS A 16 19.400 11.205 -21.050 1.00 0.00 C ATOM 226 CE LYS A 16 19.927 10.126 -20.096 1.00 0.00 C ATOM 227 NZ LYS A 16 20.902 9.238 -20.777 1.00 0.00 N ATOM 0 H LYS A 16 17.421 14.524 -20.731 1.00 0.00 H new ATOM 0 HA LYS A 16 16.722 13.120 -18.497 1.00 0.00 H new ATOM 0 HB2 LYS A 16 19.497 13.633 -19.647 1.00 0.00 H new ATOM 0 HB3 LYS A 16 19.134 12.381 -18.476 1.00 0.00 H new ATOM 0 HG2 LYS A 16 17.507 11.352 -20.046 1.00 0.00 H new ATOM 0 HG3 LYS A 16 17.799 12.628 -21.211 1.00 0.00 H new ATOM 0 HD2 LYS A 16 19.042 10.734 -21.965 1.00 0.00 H new ATOM 0 HD3 LYS A 16 20.218 11.868 -21.332 1.00 0.00 H new ATOM 0 HE2 LYS A 16 20.400 10.598 -19.235 1.00 0.00 H new ATOM 0 HE3 LYS A 16 19.094 9.533 -19.717 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 21.242 8.518 -20.108 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 20.441 8.771 -21.584 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 21.707 9.802 -21.117 1.00 0.00 H new ATOM 241 N PRO A 17 18.643 15.608 -17.393 1.00 0.00 N ATOM 242 CA PRO A 17 18.886 16.334 -16.145 1.00 0.00 C ATOM 243 C PRO A 17 17.652 17.093 -15.635 1.00 0.00 C ATOM 244 O PRO A 17 17.478 17.178 -14.426 1.00 0.00 O ATOM 245 CB PRO A 17 20.050 17.284 -16.448 1.00 0.00 C ATOM 246 CG PRO A 17 19.910 17.545 -17.948 1.00 0.00 C ATOM 247 CD PRO A 17 19.405 16.208 -18.482 1.00 0.00 C ATOM 0 HA PRO A 17 19.122 15.640 -15.339 1.00 0.00 H new ATOM 0 HB2 PRO A 17 19.977 18.206 -15.871 1.00 0.00 H new ATOM 0 HB3 PRO A 17 21.012 16.832 -16.206 1.00 0.00 H new ATOM 0 HG2 PRO A 17 19.208 18.353 -18.153 1.00 0.00 H new ATOM 0 HG3 PRO A 17 20.861 17.827 -18.399 1.00 0.00 H new ATOM 0 HD2 PRO A 17 18.781 16.350 -19.364 1.00 0.00 H new ATOM 0 HD3 PRO A 17 20.235 15.567 -18.778 1.00 0.00 H new ATOM 255 N LYS A 18 16.764 17.602 -16.504 1.00 0.00 N ATOM 256 CA LYS A 18 15.521 18.276 -16.076 1.00 0.00 C ATOM 257 C LYS A 18 14.485 17.310 -15.492 1.00 0.00 C ATOM 258 O LYS A 18 13.723 17.707 -14.620 1.00 0.00 O ATOM 259 CB LYS A 18 14.924 19.124 -17.206 1.00 0.00 C ATOM 260 CG LYS A 18 15.835 20.315 -17.552 1.00 0.00 C ATOM 261 CD LYS A 18 15.132 21.385 -18.404 1.00 0.00 C ATOM 262 CE LYS A 18 14.804 20.948 -19.839 1.00 0.00 C ATOM 263 NZ LYS A 18 16.026 20.727 -20.648 1.00 0.00 N ATOM 0 H LYS A 18 16.883 17.560 -17.516 1.00 0.00 H new ATOM 0 HA LYS A 18 15.803 18.947 -15.265 1.00 0.00 H new ATOM 0 HB2 LYS A 18 14.780 18.505 -18.091 1.00 0.00 H new ATOM 0 HB3 LYS A 18 13.941 19.489 -16.909 1.00 0.00 H new ATOM 0 HG2 LYS A 18 16.193 20.771 -16.629 1.00 0.00 H new ATOM 0 HG3 LYS A 18 16.711 19.951 -18.088 1.00 0.00 H new ATOM 0 HD2 LYS A 18 14.207 21.676 -17.907 1.00 0.00 H new ATOM 0 HD3 LYS A 18 15.765 22.272 -18.444 1.00 0.00 H new ATOM 0 HE2 LYS A 18 14.216 20.030 -19.813 1.00 0.00 H new ATOM 0 HE3 LYS A 18 14.186 21.708 -20.317 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 15.777 20.719 -21.658 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 16.706 21.492 -20.465 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 16.453 19.815 -20.389 1.00 0.00 H new ATOM 277 N TYR A 19 14.493 16.048 -15.921 1.00 0.00 N ATOM 278 CA TYR A 19 13.859 14.945 -15.203 1.00 0.00 C ATOM 279 C TYR A 19 14.544 14.727 -13.847 1.00 0.00 C ATOM 280 O TYR A 19 13.907 14.892 -12.811 1.00 0.00 O ATOM 281 CB TYR A 19 13.916 13.665 -16.062 1.00 0.00 C ATOM 282 CG TYR A 19 12.794 13.382 -17.049 1.00 0.00 C ATOM 283 CD1 TYR A 19 11.820 14.343 -17.399 1.00 0.00 C ATOM 284 CD2 TYR A 19 12.736 12.095 -17.621 1.00 0.00 C ATOM 285 CE1 TYR A 19 10.787 14.007 -18.298 1.00 0.00 C ATOM 286 CE2 TYR A 19 11.722 11.767 -18.540 1.00 0.00 C ATOM 287 CZ TYR A 19 10.742 12.720 -18.877 1.00 0.00 C ATOM 288 OH TYR A 19 9.754 12.377 -19.737 1.00 0.00 O ATOM 0 H TYR A 19 14.946 15.760 -16.788 1.00 0.00 H new ATOM 0 HA TYR A 19 12.814 15.192 -15.015 1.00 0.00 H new ATOM 0 HB2 TYR A 19 14.849 13.689 -16.625 1.00 0.00 H new ATOM 0 HB3 TYR A 19 13.976 12.816 -15.381 1.00 0.00 H new ATOM 0 HD1 TYR A 19 11.866 15.336 -16.978 1.00 0.00 H new ATOM 0 HD2 TYR A 19 13.475 11.355 -17.352 1.00 0.00 H new ATOM 0 HE1 TYR A 19 10.029 14.736 -18.544 1.00 0.00 H new ATOM 0 HE2 TYR A 19 11.696 10.784 -18.987 1.00 0.00 H new ATOM 0 HH TYR A 19 8.895 12.379 -19.266 1.00 0.00 H new ATOM 298 N LEU A 20 15.832 14.363 -13.843 1.00 0.00 N ATOM 299 CA LEU A 20 16.581 13.980 -12.640 1.00 0.00 C ATOM 300 C LEU A 20 16.532 15.030 -11.538 1.00 0.00 C ATOM 301 O LEU A 20 16.412 14.669 -10.386 1.00 0.00 O ATOM 302 CB LEU A 20 18.054 13.758 -12.985 1.00 0.00 C ATOM 303 CG LEU A 20 18.373 12.489 -13.790 1.00 0.00 C ATOM 304 CD1 LEU A 20 19.803 12.553 -14.328 1.00 0.00 C ATOM 305 CD2 LEU A 20 18.246 11.233 -12.927 1.00 0.00 C ATOM 0 H LEU A 20 16.394 14.326 -14.693 1.00 0.00 H new ATOM 0 HA LEU A 20 16.105 13.069 -12.276 1.00 0.00 H new ATOM 0 HB2 LEU A 20 18.409 14.621 -13.549 1.00 0.00 H new ATOM 0 HB3 LEU A 20 18.624 13.728 -12.056 1.00 0.00 H new ATOM 0 HG LEU A 20 17.656 12.437 -14.609 1.00 0.00 H new ATOM 0 HD11 LEU A 20 20.019 11.649 -14.897 1.00 0.00 H new ATOM 0 HD12 LEU A 20 19.909 13.423 -14.976 1.00 0.00 H new ATOM 0 HD13 LEU A 20 20.502 12.633 -13.495 1.00 0.00 H new ATOM 0 HD21 LEU A 20 18.478 10.354 -13.528 1.00 0.00 H new ATOM 0 HD22 LEU A 20 18.941 11.295 -12.090 1.00 0.00 H new ATOM 0 HD23 LEU A 20 17.227 11.154 -12.547 1.00 0.00 H new ATOM 317 N GLN A 21 16.630 16.314 -11.848 1.00 0.00 N ATOM 318 CA GLN A 21 16.648 17.385 -10.871 1.00 0.00 C ATOM 319 C GLN A 21 15.348 17.438 -10.052 1.00 0.00 C ATOM 320 O GLN A 21 15.405 17.596 -8.831 1.00 0.00 O ATOM 321 CB GLN A 21 16.937 18.668 -11.666 1.00 0.00 C ATOM 322 CG GLN A 21 17.018 19.915 -10.795 1.00 0.00 C ATOM 323 CD GLN A 21 15.644 20.458 -10.399 1.00 0.00 C ATOM 324 OE1 GLN A 21 14.751 20.618 -11.214 1.00 0.00 O ATOM 325 NE2 GLN A 21 15.404 20.764 -9.144 1.00 0.00 N ATOM 0 H GLN A 21 16.701 16.645 -12.810 1.00 0.00 H new ATOM 0 HA GLN A 21 17.418 17.235 -10.114 1.00 0.00 H new ATOM 0 HB2 GLN A 21 17.877 18.549 -12.205 1.00 0.00 H new ATOM 0 HB3 GLN A 21 16.156 18.807 -12.414 1.00 0.00 H new ATOM 0 HG2 GLN A 21 17.585 19.685 -9.893 1.00 0.00 H new ATOM 0 HG3 GLN A 21 17.568 20.689 -11.329 1.00 0.00 H new ATOM 0 HE21 GLN A 21 16.132 20.640 -8.441 1.00 0.00 H new ATOM 0 HE22 GLN A 21 14.489 21.125 -8.873 1.00 0.00 H new ATOM 334 N LEU A 22 14.191 17.250 -10.699 1.00 0.00 N ATOM 335 CA LEU A 22 12.923 17.029 -10.003 1.00 0.00 C ATOM 336 C LEU A 22 12.940 15.677 -9.277 1.00 0.00 C ATOM 337 O LEU A 22 12.576 15.595 -8.100 1.00 0.00 O ATOM 338 CB LEU A 22 11.779 17.142 -11.031 1.00 0.00 C ATOM 339 CG LEU A 22 10.364 17.012 -10.429 1.00 0.00 C ATOM 340 CD1 LEU A 22 9.359 17.758 -11.310 1.00 0.00 C ATOM 341 CD2 LEU A 22 9.867 15.565 -10.318 1.00 0.00 C ATOM 0 H LEU A 22 14.110 17.247 -11.716 1.00 0.00 H new ATOM 0 HA LEU A 22 12.767 17.785 -9.233 1.00 0.00 H new ATOM 0 HB2 LEU A 22 11.857 18.103 -11.539 1.00 0.00 H new ATOM 0 HB3 LEU A 22 11.910 16.369 -11.789 1.00 0.00 H new ATOM 0 HG LEU A 22 10.436 17.430 -9.425 1.00 0.00 H new ATOM 0 HD11 LEU A 22 8.361 17.664 -10.883 1.00 0.00 H new ATOM 0 HD12 LEU A 22 9.634 18.811 -11.363 1.00 0.00 H new ATOM 0 HD13 LEU A 22 9.366 17.330 -12.312 1.00 0.00 H new ATOM 0 HD21 LEU A 22 8.866 15.556 -9.886 1.00 0.00 H new ATOM 0 HD22 LEU A 22 9.838 15.113 -11.309 1.00 0.00 H new ATOM 0 HD23 LEU A 22 10.543 14.996 -9.679 1.00 0.00 H new ATOM 353 N LYS A 23 13.348 14.620 -9.994 1.00 0.00 N ATOM 354 CA LYS A 23 13.241 13.218 -9.567 1.00 0.00 C ATOM 355 C LYS A 23 14.066 12.937 -8.318 1.00 0.00 C ATOM 356 O LYS A 23 13.512 12.541 -7.299 1.00 0.00 O ATOM 357 CB LYS A 23 13.627 12.276 -10.726 1.00 0.00 C ATOM 358 CG LYS A 23 12.774 11.021 -10.767 1.00 0.00 C ATOM 359 CD LYS A 23 13.412 9.870 -9.989 1.00 0.00 C ATOM 360 CE LYS A 23 14.400 9.113 -10.865 1.00 0.00 C ATOM 361 NZ LYS A 23 14.721 7.827 -10.213 1.00 0.00 N ATOM 0 H LYS A 23 13.775 14.721 -10.915 1.00 0.00 H new ATOM 0 HA LYS A 23 12.202 13.027 -9.300 1.00 0.00 H new ATOM 0 HB2 LYS A 23 13.528 12.809 -11.671 1.00 0.00 H new ATOM 0 HB3 LYS A 23 14.676 11.995 -10.627 1.00 0.00 H new ATOM 0 HG2 LYS A 23 11.790 11.238 -10.352 1.00 0.00 H new ATOM 0 HG3 LYS A 23 12.623 10.719 -11.803 1.00 0.00 H new ATOM 0 HD2 LYS A 23 13.923 10.259 -9.108 1.00 0.00 H new ATOM 0 HD3 LYS A 23 12.637 9.190 -9.634 1.00 0.00 H new ATOM 0 HE2 LYS A 23 13.974 8.940 -11.853 1.00 0.00 H new ATOM 0 HE3 LYS A 23 15.307 9.701 -11.008 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 15.089 7.161 -10.922 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 15.439 7.981 -9.477 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 13.861 7.433 -9.781 1.00 0.00 H new ATOM 375 N GLU A 24 15.370 13.202 -8.396 1.00 0.00 N ATOM 376 CA GLU A 24 16.338 13.184 -7.288 1.00 0.00 C ATOM 377 C GLU A 24 15.788 13.828 -6.012 1.00 0.00 C ATOM 378 O GLU A 24 15.896 13.242 -4.943 1.00 0.00 O ATOM 379 CB GLU A 24 17.629 13.911 -7.722 1.00 0.00 C ATOM 380 CG GLU A 24 18.808 13.747 -6.741 1.00 0.00 C ATOM 381 CD GLU A 24 19.108 15.048 -5.983 1.00 0.00 C ATOM 382 OE1 GLU A 24 19.481 16.055 -6.628 1.00 0.00 O ATOM 383 OE2 GLU A 24 18.885 15.150 -4.755 1.00 0.00 O ATOM 0 H GLU A 24 15.809 13.450 -9.283 1.00 0.00 H new ATOM 0 HA GLU A 24 16.547 12.140 -7.056 1.00 0.00 H new ATOM 0 HB2 GLU A 24 17.931 13.538 -8.701 1.00 0.00 H new ATOM 0 HB3 GLU A 24 17.413 14.973 -7.838 1.00 0.00 H new ATOM 0 HG2 GLU A 24 18.579 12.956 -6.027 1.00 0.00 H new ATOM 0 HG3 GLU A 24 19.696 13.434 -7.290 1.00 0.00 H new ATOM 390 N LYS A 25 15.168 15.011 -6.110 1.00 0.00 N ATOM 391 CA LYS A 25 14.585 15.710 -4.961 1.00 0.00 C ATOM 392 C LYS A 25 13.403 14.978 -4.332 1.00 0.00 C ATOM 393 O LYS A 25 13.302 14.931 -3.113 1.00 0.00 O ATOM 394 CB LYS A 25 14.214 17.149 -5.370 1.00 0.00 C ATOM 395 CG LYS A 25 14.702 18.168 -4.332 1.00 0.00 C ATOM 396 CD LYS A 25 16.146 18.672 -4.542 1.00 0.00 C ATOM 397 CE LYS A 25 17.083 17.552 -4.998 1.00 0.00 C ATOM 398 NZ LYS A 25 18.521 17.852 -4.852 1.00 0.00 N ATOM 0 H LYS A 25 15.057 15.511 -6.992 1.00 0.00 H new ATOM 0 HA LYS A 25 15.343 15.738 -4.179 1.00 0.00 H new ATOM 0 HB2 LYS A 25 14.653 17.378 -6.341 1.00 0.00 H new ATOM 0 HB3 LYS A 25 13.133 17.230 -5.482 1.00 0.00 H new ATOM 0 HG2 LYS A 25 14.029 19.025 -4.342 1.00 0.00 H new ATOM 0 HG3 LYS A 25 14.630 17.718 -3.342 1.00 0.00 H new ATOM 0 HD2 LYS A 25 16.147 19.470 -5.284 1.00 0.00 H new ATOM 0 HD3 LYS A 25 16.519 19.101 -3.612 1.00 0.00 H new ATOM 0 HE2 LYS A 25 16.854 16.651 -4.429 1.00 0.00 H new ATOM 0 HE3 LYS A 25 16.877 17.328 -6.045 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 19.039 17.476 -5.671 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 18.657 18.882 -4.799 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 18.881 17.410 -3.982 1.00 0.00 H new ATOM 412 N LEU A 26 12.523 14.419 -5.153 1.00 0.00 N ATOM 413 CA LEU A 26 11.384 13.603 -4.752 1.00 0.00 C ATOM 414 C LEU A 26 11.822 12.301 -4.062 1.00 0.00 C ATOM 415 O LEU A 26 11.405 11.987 -2.954 1.00 0.00 O ATOM 416 CB LEU A 26 10.531 13.365 -6.015 1.00 0.00 C ATOM 417 CG LEU A 26 9.238 14.178 -5.986 1.00 0.00 C ATOM 418 CD1 LEU A 26 9.478 15.679 -6.123 1.00 0.00 C ATOM 419 CD2 LEU A 26 8.266 13.761 -7.088 1.00 0.00 C ATOM 0 H LEU A 26 12.587 14.528 -6.165 1.00 0.00 H new ATOM 0 HA LEU A 26 10.786 14.117 -4.000 1.00 0.00 H new ATOM 0 HB2 LEU A 26 11.109 13.632 -6.900 1.00 0.00 H new ATOM 0 HB3 LEU A 26 10.292 12.305 -6.098 1.00 0.00 H new ATOM 0 HG LEU A 26 8.805 13.968 -5.008 1.00 0.00 H new ATOM 0 HD11 LEU A 26 8.523 16.204 -6.096 1.00 0.00 H new ATOM 0 HD12 LEU A 26 10.105 16.024 -5.301 1.00 0.00 H new ATOM 0 HD13 LEU A 26 9.977 15.883 -7.070 1.00 0.00 H new ATOM 0 HD21 LEU A 26 7.363 14.368 -7.025 1.00 0.00 H new ATOM 0 HD22 LEU A 26 8.735 13.908 -8.061 1.00 0.00 H new ATOM 0 HD23 LEU A 26 8.006 12.710 -6.965 1.00 0.00 H new ATOM 431 N GLU A 27 12.701 11.554 -4.710 1.00 0.00 N ATOM 432 CA GLU A 27 13.359 10.361 -4.186 1.00 0.00 C ATOM 433 C GLU A 27 14.192 10.609 -2.923 1.00 0.00 C ATOM 434 O GLU A 27 14.157 9.788 -2.018 1.00 0.00 O ATOM 435 CB GLU A 27 14.214 9.751 -5.308 1.00 0.00 C ATOM 436 CG GLU A 27 13.560 8.471 -5.838 1.00 0.00 C ATOM 437 CD GLU A 27 14.086 8.044 -7.219 1.00 0.00 C ATOM 438 OE1 GLU A 27 15.237 8.371 -7.598 1.00 0.00 O ATOM 439 OE2 GLU A 27 13.328 7.415 -7.996 1.00 0.00 O ATOM 0 H GLU A 27 12.992 11.771 -5.663 1.00 0.00 H new ATOM 0 HA GLU A 27 12.583 9.665 -3.869 1.00 0.00 H new ATOM 0 HB2 GLU A 27 14.330 10.471 -6.118 1.00 0.00 H new ATOM 0 HB3 GLU A 27 15.213 9.529 -4.933 1.00 0.00 H new ATOM 0 HG2 GLU A 27 13.731 7.663 -5.127 1.00 0.00 H new ATOM 0 HG3 GLU A 27 12.482 8.620 -5.898 1.00 0.00 H new ATOM 446 N HIS A 28 14.895 11.735 -2.807 1.00 0.00 N ATOM 447 CA HIS A 28 15.496 12.185 -1.547 1.00 0.00 C ATOM 448 C HIS A 28 14.437 12.374 -0.454 1.00 0.00 C ATOM 449 O HIS A 28 14.655 11.998 0.701 1.00 0.00 O ATOM 450 CB HIS A 28 16.247 13.504 -1.793 1.00 0.00 C ATOM 451 CG HIS A 28 16.805 14.213 -0.575 1.00 0.00 C ATOM 452 ND1 HIS A 28 16.868 13.748 0.722 1.00 0.00 N ATOM 453 CD2 HIS A 28 17.244 15.507 -0.557 1.00 0.00 C ATOM 454 CE1 HIS A 28 17.344 14.739 1.496 1.00 0.00 C ATOM 455 NE2 HIS A 28 17.593 15.832 0.758 1.00 0.00 N ATOM 0 H HIS A 28 15.066 12.367 -3.589 1.00 0.00 H new ATOM 0 HA HIS A 28 16.190 11.420 -1.199 1.00 0.00 H new ATOM 0 HB2 HIS A 28 17.072 13.302 -2.476 1.00 0.00 H new ATOM 0 HB3 HIS A 28 15.571 14.189 -2.304 1.00 0.00 H new ATOM 0 HD1 HIS A 28 16.600 12.816 1.038 1.00 0.00 H new ATOM 0 HD2 HIS A 28 17.310 16.165 -1.411 1.00 0.00 H new ATOM 0 HE1 HIS A 28 17.504 14.666 2.562 1.00 0.00 H new ATOM 463 N GLU A 29 13.316 12.998 -0.806 1.00 0.00 N ATOM 464 CA GLU A 29 12.261 13.371 0.117 1.00 0.00 C ATOM 465 C GLU A 29 11.536 12.147 0.695 1.00 0.00 C ATOM 466 O GLU A 29 11.172 12.148 1.875 1.00 0.00 O ATOM 467 CB GLU A 29 11.281 14.299 -0.620 1.00 0.00 C ATOM 468 CG GLU A 29 11.515 15.779 -0.297 1.00 0.00 C ATOM 469 CD GLU A 29 11.039 16.091 1.122 1.00 0.00 C ATOM 470 OE1 GLU A 29 9.826 16.303 1.342 1.00 0.00 O ATOM 471 OE2 GLU A 29 11.827 15.959 2.081 1.00 0.00 O ATOM 0 H GLU A 29 13.116 13.263 -1.770 1.00 0.00 H new ATOM 0 HA GLU A 29 12.701 13.890 0.968 1.00 0.00 H new ATOM 0 HB2 GLU A 29 11.379 14.145 -1.695 1.00 0.00 H new ATOM 0 HB3 GLU A 29 10.260 14.029 -0.352 1.00 0.00 H new ATOM 0 HG2 GLU A 29 12.574 16.017 -0.394 1.00 0.00 H new ATOM 0 HG3 GLU A 29 10.981 16.404 -1.013 1.00 0.00 H new ATOM 478 N PHE A 30 11.313 11.111 -0.119 1.00 0.00 N ATOM 479 CA PHE A 30 10.623 9.870 0.265 1.00 0.00 C ATOM 480 C PHE A 30 11.132 8.611 -0.493 1.00 0.00 C ATOM 481 O PHE A 30 10.393 8.015 -1.289 1.00 0.00 O ATOM 482 CB PHE A 30 9.095 10.098 0.194 1.00 0.00 C ATOM 483 CG PHE A 30 8.584 11.113 -0.818 1.00 0.00 C ATOM 484 CD1 PHE A 30 8.696 10.878 -2.200 1.00 0.00 C ATOM 485 CD2 PHE A 30 8.005 12.313 -0.366 1.00 0.00 C ATOM 486 CE1 PHE A 30 8.230 11.834 -3.121 1.00 0.00 C ATOM 487 CE2 PHE A 30 7.573 13.285 -1.282 1.00 0.00 C ATOM 488 CZ PHE A 30 7.682 13.045 -2.660 1.00 0.00 C ATOM 0 H PHE A 30 11.616 11.110 -1.093 1.00 0.00 H new ATOM 0 HA PHE A 30 10.873 9.634 1.299 1.00 0.00 H new ATOM 0 HB2 PHE A 30 8.621 9.140 -0.021 1.00 0.00 H new ATOM 0 HB3 PHE A 30 8.754 10.407 1.182 1.00 0.00 H new ATOM 0 HD1 PHE A 30 9.141 9.961 -2.556 1.00 0.00 H new ATOM 0 HD2 PHE A 30 7.892 12.488 0.694 1.00 0.00 H new ATOM 0 HE1 PHE A 30 8.293 11.638 -4.181 1.00 0.00 H new ATOM 0 HE2 PHE A 30 7.157 14.216 -0.926 1.00 0.00 H new ATOM 0 HZ PHE A 30 7.345 13.789 -3.366 1.00 0.00 H new ATOM 498 N PRO A 31 12.379 8.155 -0.235 1.00 0.00 N ATOM 499 CA PRO A 31 13.025 7.072 -0.986 1.00 0.00 C ATOM 500 C PRO A 31 12.373 5.719 -0.729 1.00 0.00 C ATOM 501 O PRO A 31 12.132 5.347 0.417 1.00 0.00 O ATOM 502 CB PRO A 31 14.486 7.036 -0.536 1.00 0.00 C ATOM 503 CG PRO A 31 14.464 7.704 0.839 1.00 0.00 C ATOM 504 CD PRO A 31 13.291 8.681 0.772 1.00 0.00 C ATOM 0 HA PRO A 31 12.929 7.262 -2.055 1.00 0.00 H new ATOM 0 HB2 PRO A 31 14.861 6.014 -0.478 1.00 0.00 H new ATOM 0 HB3 PRO A 31 15.131 7.573 -1.231 1.00 0.00 H new ATOM 0 HG2 PRO A 31 14.325 6.971 1.634 1.00 0.00 H new ATOM 0 HG3 PRO A 31 15.401 8.222 1.043 1.00 0.00 H new ATOM 0 HD2 PRO A 31 12.797 8.762 1.740 1.00 0.00 H new ATOM 0 HD3 PRO A 31 13.632 9.681 0.503 1.00 0.00 H new ATOM 512 N GLY A 32 12.093 4.976 -1.801 1.00 0.00 N ATOM 513 CA GLY A 32 11.403 3.676 -1.795 1.00 0.00 C ATOM 514 C GLY A 32 9.985 3.664 -1.214 1.00 0.00 C ATOM 515 O GLY A 32 9.228 2.719 -1.422 1.00 0.00 O ATOM 0 H GLY A 32 12.351 5.274 -2.742 1.00 0.00 H new ATOM 0 HA2 GLY A 32 11.356 3.309 -2.820 1.00 0.00 H new ATOM 0 HA3 GLY A 32 12.010 2.969 -1.230 1.00 0.00 H new ATOM 519 N CYS A 33 9.559 4.739 -0.549 1.00 0.00 N ATOM 520 CA CYS A 33 8.167 5.056 -0.294 1.00 0.00 C ATOM 521 C CYS A 33 7.401 5.334 -1.595 1.00 0.00 C ATOM 522 O CYS A 33 6.169 5.370 -1.598 1.00 0.00 O ATOM 523 CB CYS A 33 8.081 6.288 0.605 1.00 0.00 C ATOM 524 SG CYS A 33 9.233 6.299 2.010 1.00 0.00 S ATOM 0 H CYS A 33 10.201 5.431 -0.163 1.00 0.00 H new ATOM 0 HA CYS A 33 7.713 4.193 0.194 1.00 0.00 H new ATOM 0 HB2 CYS A 33 8.264 7.175 -0.002 1.00 0.00 H new ATOM 0 HB3 CYS A 33 7.064 6.368 0.989 1.00 0.00 H new ATOM 0 HG CYS A 33 10.450 6.163 1.574 1.00 0.00 H new ATOM 530 N LEU A 34 8.132 5.576 -2.687 1.00 0.00 N ATOM 531 CA LEU A 34 7.624 5.988 -3.981 1.00 0.00 C ATOM 532 C LEU A 34 8.538 5.577 -5.137 1.00 0.00 C ATOM 533 O LEU A 34 9.737 5.366 -4.973 1.00 0.00 O ATOM 534 CB LEU A 34 7.465 7.520 -3.959 1.00 0.00 C ATOM 535 CG LEU A 34 6.005 7.953 -3.743 1.00 0.00 C ATOM 536 CD1 LEU A 34 5.814 8.682 -2.421 1.00 0.00 C ATOM 537 CD2 LEU A 34 5.546 8.845 -4.894 1.00 0.00 C ATOM 0 H LEU A 34 9.148 5.482 -2.682 1.00 0.00 H new ATOM 0 HA LEU A 34 6.670 5.489 -4.152 1.00 0.00 H new ATOM 0 HB2 LEU A 34 8.086 7.936 -3.166 1.00 0.00 H new ATOM 0 HB3 LEU A 34 7.829 7.934 -4.899 1.00 0.00 H new ATOM 0 HG LEU A 34 5.399 7.047 -3.713 1.00 0.00 H new ATOM 0 HD11 LEU A 34 4.768 8.969 -2.311 1.00 0.00 H new ATOM 0 HD12 LEU A 34 6.098 8.025 -1.599 1.00 0.00 H new ATOM 0 HD13 LEU A 34 6.439 9.575 -2.404 1.00 0.00 H new ATOM 0 HD21 LEU A 34 4.511 9.146 -4.731 1.00 0.00 H new ATOM 0 HD22 LEU A 34 6.178 9.732 -4.942 1.00 0.00 H new ATOM 0 HD23 LEU A 34 5.621 8.295 -5.832 1.00 0.00 H new ATOM 549 N ASP A 35 7.931 5.568 -6.318 1.00 0.00 N ATOM 550 CA ASP A 35 8.548 5.489 -7.642 1.00 0.00 C ATOM 551 C ASP A 35 8.282 6.809 -8.365 1.00 0.00 C ATOM 552 O ASP A 35 7.165 7.322 -8.356 1.00 0.00 O ATOM 553 CB ASP A 35 7.858 4.336 -8.374 1.00 0.00 C ATOM 554 CG ASP A 35 8.010 4.189 -9.897 1.00 0.00 C ATOM 555 OD1 ASP A 35 8.862 4.838 -10.535 1.00 0.00 O ATOM 556 OD2 ASP A 35 7.151 3.496 -10.498 1.00 0.00 O ATOM 0 H ASP A 35 6.914 5.620 -6.382 1.00 0.00 H new ATOM 0 HA ASP A 35 9.624 5.320 -7.594 1.00 0.00 H new ATOM 0 HB2 ASP A 35 8.211 3.409 -7.922 1.00 0.00 H new ATOM 0 HB3 ASP A 35 6.792 4.409 -8.161 1.00 0.00 H new ATOM 561 N ILE A 36 9.277 7.310 -9.077 1.00 0.00 N ATOM 562 CA ILE A 36 9.100 8.289 -10.136 1.00 0.00 C ATOM 563 C ILE A 36 9.869 7.813 -11.369 1.00 0.00 C ATOM 564 O ILE A 36 11.102 7.765 -11.438 1.00 0.00 O ATOM 565 CB ILE A 36 9.583 9.691 -9.760 1.00 0.00 C ATOM 566 CG1 ILE A 36 9.448 10.159 -8.295 1.00 0.00 C ATOM 567 CG2 ILE A 36 9.118 10.770 -10.758 1.00 0.00 C ATOM 568 CD1 ILE A 36 10.831 10.100 -7.624 1.00 0.00 C ATOM 0 H ILE A 36 10.250 7.042 -8.932 1.00 0.00 H new ATOM 0 HA ILE A 36 8.030 8.367 -10.327 1.00 0.00 H new ATOM 0 HB ILE A 36 10.662 9.558 -9.845 1.00 0.00 H new ATOM 0 HG12 ILE A 36 9.054 11.175 -8.258 1.00 0.00 H new ATOM 0 HG13 ILE A 36 8.742 9.524 -7.760 1.00 0.00 H new ATOM 0 HG21 ILE A 36 9.490 11.744 -10.440 1.00 0.00 H new ATOM 0 HG22 ILE A 36 9.506 10.539 -11.750 1.00 0.00 H new ATOM 0 HG23 ILE A 36 8.029 10.791 -10.790 1.00 0.00 H new ATOM 0 HD11 ILE A 36 10.747 10.429 -6.588 1.00 0.00 H new ATOM 0 HD12 ILE A 36 11.205 9.077 -7.651 1.00 0.00 H new ATOM 0 HD13 ILE A 36 11.522 10.753 -8.157 1.00 0.00 H new ATOM 580 N CYS A 37 9.083 7.545 -12.382 1.00 0.00 N ATOM 581 CA CYS A 37 9.477 7.371 -13.764 1.00 0.00 C ATOM 582 C CYS A 37 9.277 8.675 -14.550 1.00 0.00 C ATOM 583 O CYS A 37 8.672 9.637 -14.084 1.00 0.00 O ATOM 584 CB CYS A 37 8.634 6.214 -14.307 1.00 0.00 C ATOM 585 SG CYS A 37 9.384 4.649 -13.772 1.00 0.00 S ATOM 0 H CYS A 37 8.077 7.434 -12.256 1.00 0.00 H new ATOM 0 HA CYS A 37 10.536 7.134 -13.862 1.00 0.00 H new ATOM 0 HB2 CYS A 37 7.610 6.287 -13.940 1.00 0.00 H new ATOM 0 HB3 CYS A 37 8.587 6.258 -15.395 1.00 0.00 H new ATOM 0 HG CYS A 37 9.277 4.536 -12.481 1.00 0.00 H new ATOM 591 N GLY A 38 9.732 8.681 -15.793 1.00 0.00 N ATOM 592 CA GLY A 38 9.402 9.654 -16.829 1.00 0.00 C ATOM 593 C GLY A 38 9.248 8.915 -18.153 1.00 0.00 C ATOM 594 O GLY A 38 9.802 7.826 -18.306 1.00 0.00 O ATOM 0 H GLY A 38 10.379 7.967 -16.128 1.00 0.00 H new ATOM 0 HA2 GLY A 38 8.480 10.177 -16.577 1.00 0.00 H new ATOM 0 HA3 GLY A 38 10.186 10.408 -16.905 1.00 0.00 H new ATOM 598 N GLU A 39 8.499 9.479 -19.096 1.00 0.00 N ATOM 599 CA GLU A 39 8.144 8.812 -20.345 1.00 0.00 C ATOM 600 C GLU A 39 8.082 9.806 -21.501 1.00 0.00 C ATOM 601 O GLU A 39 7.174 10.625 -21.638 1.00 0.00 O ATOM 602 CB GLU A 39 6.839 8.023 -20.204 1.00 0.00 C ATOM 603 CG GLU A 39 6.689 7.031 -21.367 1.00 0.00 C ATOM 604 CD GLU A 39 5.317 6.353 -21.375 1.00 0.00 C ATOM 605 OE1 GLU A 39 4.949 5.772 -20.326 1.00 0.00 O ATOM 606 OE2 GLU A 39 4.664 6.432 -22.445 1.00 0.00 O ATOM 0 H GLU A 39 8.118 10.421 -19.014 1.00 0.00 H new ATOM 0 HA GLU A 39 8.931 8.094 -20.575 1.00 0.00 H new ATOM 0 HB2 GLU A 39 6.831 7.486 -19.255 1.00 0.00 H new ATOM 0 HB3 GLU A 39 5.991 8.708 -20.189 1.00 0.00 H new ATOM 0 HG2 GLU A 39 6.839 7.555 -22.311 1.00 0.00 H new ATOM 0 HG3 GLU A 39 7.467 6.271 -21.297 1.00 0.00 H new ATOM 702 N PHE A 47 3.991 18.759 -24.753 1.00 0.00 N ATOM 703 CA PHE A 47 3.362 18.782 -23.427 1.00 0.00 C ATOM 704 C PHE A 47 4.216 18.085 -22.347 1.00 0.00 C ATOM 705 O PHE A 47 5.037 17.231 -22.674 1.00 0.00 O ATOM 706 CB PHE A 47 1.937 18.217 -23.539 1.00 0.00 C ATOM 707 CG PHE A 47 1.717 16.979 -24.388 1.00 0.00 C ATOM 708 CD1 PHE A 47 2.037 15.706 -23.879 1.00 0.00 C ATOM 709 CD2 PHE A 47 1.095 17.091 -25.647 1.00 0.00 C ATOM 710 CE1 PHE A 47 1.700 14.551 -24.605 1.00 0.00 C ATOM 711 CE2 PHE A 47 0.758 15.935 -26.375 1.00 0.00 C ATOM 712 CZ PHE A 47 1.040 14.665 -25.841 1.00 0.00 C ATOM 0 HA PHE A 47 3.294 19.815 -23.085 1.00 0.00 H new ATOM 0 HB2 PHE A 47 1.588 17.995 -22.531 1.00 0.00 H new ATOM 0 HB3 PHE A 47 1.296 19.007 -23.931 1.00 0.00 H new ATOM 0 HD1 PHE A 47 2.542 15.617 -22.929 1.00 0.00 H new ATOM 0 HD2 PHE A 47 0.876 18.067 -26.055 1.00 0.00 H new ATOM 0 HE1 PHE A 47 1.948 13.576 -24.213 1.00 0.00 H new ATOM 0 HE2 PHE A 47 0.284 16.023 -27.341 1.00 0.00 H new ATOM 0 HZ PHE A 47 0.749 13.776 -26.381 1.00 0.00 H new ATOM 722 N PHE A 48 4.035 18.468 -21.075 1.00 0.00 N ATOM 723 CA PHE A 48 4.839 18.107 -19.891 1.00 0.00 C ATOM 724 C PHE A 48 3.888 17.774 -18.726 1.00 0.00 C ATOM 725 O PHE A 48 3.393 18.675 -18.042 1.00 0.00 O ATOM 726 CB PHE A 48 5.796 19.260 -19.498 1.00 0.00 C ATOM 727 CG PHE A 48 6.978 18.871 -18.620 1.00 0.00 C ATOM 728 CD1 PHE A 48 6.767 18.427 -17.299 1.00 0.00 C ATOM 729 CD2 PHE A 48 8.298 19.015 -19.090 1.00 0.00 C ATOM 730 CE1 PHE A 48 7.857 18.101 -16.472 1.00 0.00 C ATOM 731 CE2 PHE A 48 9.388 18.685 -18.266 1.00 0.00 C ATOM 732 CZ PHE A 48 9.170 18.228 -16.956 1.00 0.00 C ATOM 0 H PHE A 48 3.264 19.086 -20.824 1.00 0.00 H new ATOM 0 HA PHE A 48 5.452 17.237 -20.125 1.00 0.00 H new ATOM 0 HB2 PHE A 48 6.180 19.715 -20.411 1.00 0.00 H new ATOM 0 HB3 PHE A 48 5.219 20.025 -18.979 1.00 0.00 H new ATOM 0 HD1 PHE A 48 5.760 18.336 -16.919 1.00 0.00 H new ATOM 0 HD2 PHE A 48 8.474 19.382 -20.091 1.00 0.00 H new ATOM 0 HE1 PHE A 48 7.685 17.753 -15.464 1.00 0.00 H new ATOM 0 HE2 PHE A 48 10.396 18.783 -18.641 1.00 0.00 H new ATOM 0 HZ PHE A 48 10.008 17.975 -16.323 1.00 0.00 H new ATOM 742 N GLU A 49 3.550 16.504 -18.523 1.00 0.00 N ATOM 743 CA GLU A 49 2.349 16.122 -17.796 1.00 0.00 C ATOM 744 C GLU A 49 2.707 15.160 -16.655 1.00 0.00 C ATOM 745 O GLU A 49 3.266 14.091 -16.909 1.00 0.00 O ATOM 746 CB GLU A 49 1.390 15.499 -18.815 1.00 0.00 C ATOM 747 CG GLU A 49 1.158 16.283 -20.126 1.00 0.00 C ATOM 748 CD GLU A 49 0.609 17.705 -19.939 1.00 0.00 C ATOM 749 OE1 GLU A 49 -0.571 17.838 -19.552 1.00 0.00 O ATOM 750 OE2 GLU A 49 1.310 18.697 -20.266 1.00 0.00 O ATOM 0 H GLU A 49 4.101 15.714 -18.858 1.00 0.00 H new ATOM 0 HA GLU A 49 1.868 16.980 -17.327 1.00 0.00 H new ATOM 0 HB2 GLU A 49 1.766 14.509 -19.074 1.00 0.00 H new ATOM 0 HB3 GLU A 49 0.425 15.357 -18.329 1.00 0.00 H new ATOM 0 HG2 GLU A 49 2.101 16.342 -20.669 1.00 0.00 H new ATOM 0 HG3 GLU A 49 0.465 15.720 -20.751 1.00 0.00 H new ATOM 757 N VAL A 50 2.440 15.527 -15.392 1.00 0.00 N ATOM 758 CA VAL A 50 2.908 14.731 -14.237 1.00 0.00 C ATOM 759 C VAL A 50 1.745 13.998 -13.598 1.00 0.00 C ATOM 760 O VAL A 50 0.700 14.588 -13.316 1.00 0.00 O ATOM 761 CB VAL A 50 3.749 15.558 -13.237 1.00 0.00 C ATOM 762 CG1 VAL A 50 3.137 15.778 -11.848 1.00 0.00 C ATOM 763 CG2 VAL A 50 5.098 14.891 -13.000 1.00 0.00 C ATOM 0 H VAL A 50 1.908 16.361 -15.142 1.00 0.00 H new ATOM 0 HA VAL A 50 3.601 13.974 -14.605 1.00 0.00 H new ATOM 0 HB VAL A 50 3.816 16.531 -13.723 1.00 0.00 H new ATOM 0 HG11 VAL A 50 3.820 16.371 -11.239 1.00 0.00 H new ATOM 0 HG12 VAL A 50 2.189 16.306 -11.948 1.00 0.00 H new ATOM 0 HG13 VAL A 50 2.967 14.814 -11.368 1.00 0.00 H new ATOM 0 HG21 VAL A 50 5.678 15.485 -12.294 1.00 0.00 H new ATOM 0 HG22 VAL A 50 4.943 13.892 -12.593 1.00 0.00 H new ATOM 0 HG23 VAL A 50 5.639 14.818 -13.944 1.00 0.00 H new ATOM 773 N THR A 51 1.916 12.701 -13.379 1.00 0.00 N ATOM 774 CA THR A 51 0.870 11.802 -12.893 1.00 0.00 C ATOM 775 C THR A 51 1.411 10.944 -11.763 1.00 0.00 C ATOM 776 O THR A 51 2.547 10.500 -11.843 1.00 0.00 O ATOM 777 CB THR A 51 0.393 10.844 -14.002 1.00 0.00 C ATOM 778 OG1 THR A 51 0.854 11.179 -15.288 1.00 0.00 O ATOM 779 CG2 THR A 51 -1.122 10.789 -14.109 1.00 0.00 C ATOM 0 H THR A 51 2.807 12.230 -13.537 1.00 0.00 H new ATOM 0 HA THR A 51 0.040 12.425 -12.558 1.00 0.00 H new ATOM 0 HB THR A 51 0.811 9.886 -13.694 1.00 0.00 H new ATOM 0 HG1 THR A 51 0.514 10.528 -15.937 1.00 0.00 H new ATOM 0 HG21 THR A 51 -1.406 10.100 -14.905 1.00 0.00 H new ATOM 0 HG22 THR A 51 -1.541 10.444 -13.164 1.00 0.00 H new ATOM 0 HG23 THR A 51 -1.507 11.783 -14.335 1.00 0.00 H new ATOM 787 N VAL A 52 0.597 10.621 -10.759 1.00 0.00 N ATOM 788 CA VAL A 52 0.920 9.678 -9.674 1.00 0.00 C ATOM 789 C VAL A 52 -0.197 8.657 -9.483 1.00 0.00 C ATOM 790 O VAL A 52 -1.346 9.040 -9.306 1.00 0.00 O ATOM 791 CB VAL A 52 1.275 10.436 -8.380 1.00 0.00 C ATOM 792 CG1 VAL A 52 0.152 11.322 -7.824 1.00 0.00 C ATOM 793 CG2 VAL A 52 1.712 9.463 -7.283 1.00 0.00 C ATOM 0 H VAL A 52 -0.338 11.018 -10.670 1.00 0.00 H new ATOM 0 HA VAL A 52 1.807 9.109 -9.955 1.00 0.00 H new ATOM 0 HB VAL A 52 2.090 11.099 -8.669 1.00 0.00 H new ATOM 0 HG11 VAL A 52 0.494 11.815 -6.914 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -0.118 12.075 -8.565 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -0.719 10.707 -7.598 1.00 0.00 H new ATOM 0 HG21 VAL A 52 1.958 10.020 -6.379 1.00 0.00 H new ATOM 0 HG22 VAL A 52 0.901 8.766 -7.071 1.00 0.00 H new ATOM 0 HG23 VAL A 52 2.589 8.908 -7.617 1.00 0.00 H new ATOM 803 N ALA A 53 0.101 7.361 -9.608 1.00 0.00 N ATOM 804 CA ALA A 53 -0.861 6.248 -9.586 1.00 0.00 C ATOM 805 C ALA A 53 -2.173 6.505 -10.375 1.00 0.00 C ATOM 806 O ALA A 53 -3.261 6.100 -9.963 1.00 0.00 O ATOM 807 CB ALA A 53 -1.084 5.832 -8.128 1.00 0.00 C ATOM 0 H ALA A 53 1.061 7.041 -9.733 1.00 0.00 H new ATOM 0 HA ALA A 53 -0.428 5.412 -10.136 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -1.795 5.007 -8.090 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -0.137 5.515 -7.691 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -1.479 6.678 -7.565 1.00 0.00 H new ATOM 813 N GLY A 54 -2.078 7.207 -11.514 1.00 0.00 N ATOM 814 CA GLY A 54 -3.225 7.564 -12.359 1.00 0.00 C ATOM 815 C GLY A 54 -3.927 8.876 -11.979 1.00 0.00 C ATOM 816 O GLY A 54 -5.086 9.075 -12.339 1.00 0.00 O ATOM 0 H GLY A 54 -1.188 7.547 -11.879 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -2.887 7.636 -13.393 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -3.954 6.754 -12.318 1.00 0.00 H new ATOM 820 N LYS A 55 -3.254 9.778 -11.254 1.00 0.00 N ATOM 821 CA LYS A 55 -3.757 11.091 -10.816 1.00 0.00 C ATOM 822 C LYS A 55 -2.843 12.204 -11.327 1.00 0.00 C ATOM 823 O LYS A 55 -1.711 12.328 -10.862 1.00 0.00 O ATOM 824 CB LYS A 55 -3.897 11.140 -9.289 1.00 0.00 C ATOM 825 CG LYS A 55 -4.673 9.977 -8.646 1.00 0.00 C ATOM 826 CD LYS A 55 -6.134 9.898 -9.106 1.00 0.00 C ATOM 827 CE LYS A 55 -6.757 8.601 -8.584 1.00 0.00 C ATOM 828 NZ LYS A 55 -8.104 8.380 -9.162 1.00 0.00 N ATOM 0 H LYS A 55 -2.299 9.607 -10.941 1.00 0.00 H new ATOM 0 HA LYS A 55 -4.749 11.245 -11.241 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -2.898 11.170 -8.853 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -4.391 12.074 -9.019 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -4.172 9.039 -8.885 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -4.646 10.086 -7.562 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -6.691 10.758 -8.735 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -6.187 9.929 -10.194 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -6.110 7.759 -8.831 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -6.827 8.641 -7.497 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -8.500 7.494 -8.790 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -8.726 9.173 -8.905 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -8.032 8.319 -10.198 1.00 0.00 H new ATOM 842 N LEU A 56 -3.276 12.947 -12.348 1.00 0.00 N ATOM 843 CA LEU A 56 -2.546 14.121 -12.840 1.00 0.00 C ATOM 844 C LEU A 56 -2.487 15.205 -11.765 1.00 0.00 C ATOM 845 O LEU A 56 -3.505 15.558 -11.174 1.00 0.00 O ATOM 846 CB LEU A 56 -3.143 14.599 -14.174 1.00 0.00 C ATOM 847 CG LEU A 56 -2.470 15.851 -14.779 1.00 0.00 C ATOM 848 CD1 LEU A 56 -2.519 15.789 -16.309 1.00 0.00 C ATOM 849 CD2 LEU A 56 -3.155 17.153 -14.345 1.00 0.00 C ATOM 0 H LEU A 56 -4.139 12.754 -12.856 1.00 0.00 H new ATOM 0 HA LEU A 56 -1.511 13.852 -13.049 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -3.078 13.785 -14.896 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -4.202 14.810 -14.026 1.00 0.00 H new ATOM 0 HG LEU A 56 -1.443 15.853 -14.415 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -2.042 16.677 -16.725 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -1.993 14.899 -16.654 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -3.557 15.747 -16.638 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -2.643 18.002 -14.798 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -4.196 17.142 -14.669 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -3.114 17.241 -13.259 1.00 0.00 H new ATOM 861 N VAL A 57 -1.279 15.716 -11.545 1.00 0.00 N ATOM 862 CA VAL A 57 -0.992 16.798 -10.583 1.00 0.00 C ATOM 863 C VAL A 57 -0.580 18.078 -11.317 1.00 0.00 C ATOM 864 O VAL A 57 -0.833 19.183 -10.844 1.00 0.00 O ATOM 865 CB VAL A 57 0.087 16.381 -9.552 1.00 0.00 C ATOM 866 CG1 VAL A 57 0.056 17.280 -8.311 1.00 0.00 C ATOM 867 CG2 VAL A 57 -0.053 14.927 -9.070 1.00 0.00 C ATOM 0 H VAL A 57 -0.448 15.388 -12.037 1.00 0.00 H new ATOM 0 HA VAL A 57 -1.909 16.996 -10.029 1.00 0.00 H new ATOM 0 HB VAL A 57 1.031 16.486 -10.087 1.00 0.00 H new ATOM 0 HG11 VAL A 57 0.826 16.959 -7.610 1.00 0.00 H new ATOM 0 HG12 VAL A 57 0.242 18.313 -8.605 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -0.922 17.209 -7.834 1.00 0.00 H new ATOM 0 HG21 VAL A 57 0.735 14.705 -8.351 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -1.025 14.793 -8.596 1.00 0.00 H new ATOM 0 HG23 VAL A 57 0.032 14.252 -9.921 1.00 0.00 H new ATOM 877 N HIS A 58 0.011 17.918 -12.505 1.00 0.00 N ATOM 878 CA HIS A 58 0.592 18.980 -13.323 1.00 0.00 C ATOM 879 C HIS A 58 0.315 18.774 -14.808 1.00 0.00 C ATOM 880 O HIS A 58 0.246 17.642 -15.287 1.00 0.00 O ATOM 881 CB HIS A 58 2.100 18.926 -13.145 1.00 0.00 C ATOM 882 CG HIS A 58 2.861 19.968 -13.925 1.00 0.00 C ATOM 883 ND1 HIS A 58 2.660 21.328 -13.891 1.00 0.00 N ATOM 884 CD2 HIS A 58 3.701 19.701 -14.975 1.00 0.00 C ATOM 885 CE1 HIS A 58 3.361 21.863 -14.902 1.00 0.00 C ATOM 886 NE2 HIS A 58 4.020 20.917 -15.582 1.00 0.00 N ATOM 0 H HIS A 58 0.100 17.000 -12.941 1.00 0.00 H new ATOM 0 HA HIS A 58 0.156 19.928 -13.009 1.00 0.00 H new ATOM 0 HB2 HIS A 58 2.332 19.042 -12.086 1.00 0.00 H new ATOM 0 HB3 HIS A 58 2.453 17.939 -13.443 1.00 0.00 H new ATOM 0 HD1 HIS A 58 2.084 21.837 -13.220 1.00 0.00 H new ATOM 0 HD2 HIS A 58 4.053 18.726 -15.278 1.00 0.00 H new ATOM 0 HE1 HIS A 58 3.390 22.917 -15.136 1.00 0.00 H new ATOM 894 N SER A 59 0.246 19.876 -15.545 1.00 0.00 N ATOM 895 CA SER A 59 0.030 19.896 -16.982 1.00 0.00 C ATOM 896 C SER A 59 0.542 21.183 -17.636 1.00 0.00 C ATOM 897 O SER A 59 -0.048 22.262 -17.475 1.00 0.00 O ATOM 898 CB SER A 59 -1.473 19.783 -17.195 1.00 0.00 C ATOM 899 OG SER A 59 -1.805 19.780 -18.566 1.00 0.00 O ATOM 0 H SER A 59 0.342 20.809 -15.144 1.00 0.00 H new ATOM 0 HA SER A 59 0.580 19.075 -17.442 1.00 0.00 H new ATOM 0 HB2 SER A 59 -1.839 18.868 -16.730 1.00 0.00 H new ATOM 0 HB3 SER A 59 -1.975 20.615 -16.701 1.00 0.00 H new ATOM 0 HG SER A 59 -1.702 18.874 -18.925 1.00 0.00 H new ATOM 905 N LYS A 60 1.602 21.102 -18.442 1.00 0.00 N ATOM 906 CA LYS A 60 1.945 22.186 -19.369 1.00 0.00 C ATOM 907 C LYS A 60 0.939 22.346 -20.505 1.00 0.00 C ATOM 908 O LYS A 60 0.778 23.472 -20.971 1.00 0.00 O ATOM 909 CB LYS A 60 3.350 21.952 -19.916 1.00 0.00 C ATOM 910 CG LYS A 60 4.413 22.554 -18.984 1.00 0.00 C ATOM 911 CD LYS A 60 4.488 24.082 -18.987 1.00 0.00 C ATOM 912 CE LYS A 60 4.734 24.621 -20.399 1.00 0.00 C ATOM 913 NZ LYS A 60 5.239 26.015 -20.376 1.00 0.00 N ATOM 0 H LYS A 60 2.235 20.303 -18.473 1.00 0.00 H new ATOM 0 HA LYS A 60 1.912 23.121 -18.810 1.00 0.00 H new ATOM 0 HB2 LYS A 60 3.526 20.882 -20.030 1.00 0.00 H new ATOM 0 HB3 LYS A 60 3.437 22.397 -20.907 1.00 0.00 H new ATOM 0 HG2 LYS A 60 4.214 22.217 -17.966 1.00 0.00 H new ATOM 0 HG3 LYS A 60 5.388 22.157 -19.266 1.00 0.00 H new ATOM 0 HD2 LYS A 60 3.559 24.495 -18.594 1.00 0.00 H new ATOM 0 HD3 LYS A 60 5.289 24.411 -18.325 1.00 0.00 H new ATOM 0 HE2 LYS A 60 5.453 23.982 -20.912 1.00 0.00 H new ATOM 0 HE3 LYS A 60 3.807 24.580 -20.971 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 5.249 26.397 -21.343 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 4.619 26.599 -19.780 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 6.204 26.028 -19.989 1.00 0.00 H new ATOM 927 N LYS A 61 0.235 21.279 -20.902 1.00 0.00 N ATOM 928 CA LYS A 61 -0.866 21.303 -21.882 1.00 0.00 C ATOM 929 C LYS A 61 -2.044 22.172 -21.421 1.00 0.00 C ATOM 930 O LYS A 61 -2.659 22.839 -22.247 1.00 0.00 O ATOM 931 CB LYS A 61 -1.308 19.856 -22.157 1.00 0.00 C ATOM 932 CG LYS A 61 -2.151 19.749 -23.431 1.00 0.00 C ATOM 933 CD LYS A 61 -2.568 18.294 -23.689 1.00 0.00 C ATOM 934 CE LYS A 61 -3.354 18.154 -25.000 1.00 0.00 C ATOM 935 NZ LYS A 61 -4.610 18.950 -24.994 1.00 0.00 N ATOM 0 H LYS A 61 0.419 20.343 -20.540 1.00 0.00 H new ATOM 0 HA LYS A 61 -0.505 21.761 -22.803 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -0.428 19.219 -22.249 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -1.883 19.485 -21.309 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -3.038 20.375 -23.339 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -1.582 20.125 -24.281 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -1.681 17.662 -23.727 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -3.178 17.937 -22.859 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -2.728 18.475 -25.832 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -3.593 17.104 -25.167 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -5.171 18.720 -25.839 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -5.160 18.724 -24.141 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -4.378 19.964 -24.998 1.00 0.00 H new ATOM 949 N ARG A 62 -2.354 22.163 -20.118 1.00 0.00 N ATOM 950 CA ARG A 62 -3.324 23.042 -19.448 1.00 0.00 C ATOM 951 C ARG A 62 -2.858 24.485 -19.337 1.00 0.00 C ATOM 952 O ARG A 62 -3.674 25.397 -19.364 1.00 0.00 O ATOM 953 CB ARG A 62 -3.539 22.447 -18.054 1.00 0.00 C ATOM 954 CG ARG A 62 -4.265 23.321 -17.034 1.00 0.00 C ATOM 955 CD ARG A 62 -4.583 22.495 -15.784 1.00 0.00 C ATOM 956 NE ARG A 62 -3.724 22.831 -14.626 1.00 0.00 N ATOM 957 CZ ARG A 62 -3.944 22.380 -13.390 1.00 0.00 C ATOM 958 NH1 ARG A 62 -4.903 21.528 -13.131 1.00 0.00 N ATOM 959 NH2 ARG A 62 -3.253 22.758 -12.357 1.00 0.00 N ATOM 0 H ARG A 62 -1.914 21.510 -19.469 1.00 0.00 H new ATOM 0 HA ARG A 62 -4.242 23.084 -20.035 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -4.099 21.518 -18.164 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -2.564 22.185 -17.643 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -3.646 24.178 -16.768 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -5.185 23.714 -17.466 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -5.627 22.650 -15.510 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -4.468 21.436 -16.018 1.00 0.00 H new ATOM 0 HE ARG A 62 -2.921 23.440 -14.782 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -5.504 21.193 -13.884 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -5.049 21.199 -12.177 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -2.497 23.434 -12.469 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -3.466 22.379 -11.434 1.00 0.00 H new ATOM 973 N GLY A 63 -1.558 24.667 -19.135 1.00 0.00 N ATOM 974 CA GLY A 63 -0.960 25.948 -18.785 1.00 0.00 C ATOM 975 C GLY A 63 -0.744 26.148 -17.297 1.00 0.00 C ATOM 976 O GLY A 63 -0.708 27.277 -16.827 1.00 0.00 O ATOM 0 H GLY A 63 -0.877 23.912 -19.212 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -0.001 26.040 -19.295 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -1.598 26.748 -19.159 1.00 0.00 H new ATOM 980 N ASP A 64 -0.529 25.052 -16.570 1.00 0.00 N ATOM 981 CA ASP A 64 -0.168 25.101 -15.157 1.00 0.00 C ATOM 982 C ASP A 64 1.158 25.836 -14.877 1.00 0.00 C ATOM 983 O ASP A 64 1.309 26.440 -13.820 1.00 0.00 O ATOM 984 CB ASP A 64 -0.107 23.660 -14.662 1.00 0.00 C ATOM 985 CG ASP A 64 -0.087 23.590 -13.146 1.00 0.00 C ATOM 986 OD1 ASP A 64 -0.995 24.210 -12.551 1.00 0.00 O ATOM 987 OD2 ASP A 64 0.744 22.818 -12.625 1.00 0.00 O ATOM 0 H ASP A 64 -0.601 24.106 -16.946 1.00 0.00 H new ATOM 0 HA ASP A 64 -0.922 25.680 -14.624 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -0.967 23.108 -15.041 1.00 0.00 H new ATOM 0 HB3 ASP A 64 0.784 23.175 -15.061 1.00 0.00 H new ATOM 992 N GLY A 65 2.113 25.803 -15.821 1.00 0.00 N ATOM 993 CA GLY A 65 3.438 26.425 -15.688 1.00 0.00 C ATOM 994 C GLY A 65 4.410 25.564 -14.874 1.00 0.00 C ATOM 995 O GLY A 65 3.991 24.776 -14.031 1.00 0.00 O ATOM 0 H GLY A 65 1.981 25.333 -16.716 1.00 0.00 H new ATOM 0 HA2 GLY A 65 3.855 26.600 -16.680 1.00 0.00 H new ATOM 0 HA3 GLY A 65 3.333 27.399 -15.210 1.00 0.00 H new ATOM 999 N TYR A 66 5.710 25.701 -15.120 1.00 0.00 N ATOM 1000 CA TYR A 66 6.776 24.960 -14.436 1.00 0.00 C ATOM 1001 C TYR A 66 6.895 25.332 -12.945 1.00 0.00 C ATOM 1002 O TYR A 66 5.977 25.908 -12.362 1.00 0.00 O ATOM 1003 CB TYR A 66 8.077 25.178 -15.217 1.00 0.00 C ATOM 1004 CG TYR A 66 8.029 24.685 -16.656 1.00 0.00 C ATOM 1005 CD1 TYR A 66 7.834 23.312 -16.917 1.00 0.00 C ATOM 1006 CD2 TYR A 66 8.194 25.582 -17.729 1.00 0.00 C ATOM 1007 CE1 TYR A 66 7.791 22.837 -18.240 1.00 0.00 C ATOM 1008 CE2 TYR A 66 8.154 25.112 -19.058 1.00 0.00 C ATOM 1009 CZ TYR A 66 7.938 23.740 -19.314 1.00 0.00 C ATOM 1010 OH TYR A 66 7.811 23.306 -20.596 1.00 0.00 O ATOM 0 H TYR A 66 6.066 26.350 -15.822 1.00 0.00 H new ATOM 0 HA TYR A 66 6.537 23.897 -14.426 1.00 0.00 H new ATOM 0 HB2 TYR A 66 8.314 26.242 -15.217 1.00 0.00 H new ATOM 0 HB3 TYR A 66 8.889 24.670 -14.697 1.00 0.00 H new ATOM 0 HD1 TYR A 66 7.717 22.621 -16.095 1.00 0.00 H new ATOM 0 HD2 TYR A 66 8.352 26.632 -17.534 1.00 0.00 H new ATOM 0 HE1 TYR A 66 7.646 21.784 -18.433 1.00 0.00 H new ATOM 0 HE2 TYR A 66 8.288 25.801 -19.879 1.00 0.00 H new ATOM 0 HH TYR A 66 7.941 24.058 -21.210 1.00 0.00 H new ATOM 1020 N VAL A 67 7.985 24.959 -12.263 1.00 0.00 N ATOM 1021 CA VAL A 67 8.209 25.406 -10.871 1.00 0.00 C ATOM 1022 C VAL A 67 8.667 26.859 -10.801 1.00 0.00 C ATOM 1023 O VAL A 67 9.769 27.232 -10.415 1.00 0.00 O ATOM 1024 CB VAL A 67 9.049 24.489 -9.999 1.00 0.00 C ATOM 1025 CG1 VAL A 67 8.291 23.173 -9.762 1.00 0.00 C ATOM 1026 CG2 VAL A 67 10.448 24.159 -10.539 1.00 0.00 C ATOM 0 H VAL A 67 8.719 24.359 -12.639 1.00 0.00 H new ATOM 0 HA VAL A 67 7.220 25.340 -10.418 1.00 0.00 H new ATOM 0 HB VAL A 67 9.210 25.047 -9.077 1.00 0.00 H new ATOM 0 HG11 VAL A 67 8.893 22.514 -9.136 1.00 0.00 H new ATOM 0 HG12 VAL A 67 7.345 23.383 -9.263 1.00 0.00 H new ATOM 0 HG13 VAL A 67 8.097 22.688 -10.718 1.00 0.00 H new ATOM 0 HG21 VAL A 67 10.961 23.499 -9.840 1.00 0.00 H new ATOM 0 HG22 VAL A 67 10.357 23.664 -11.506 1.00 0.00 H new ATOM 0 HG23 VAL A 67 11.020 25.080 -10.655 1.00 0.00 H new ATOM 1036 N ASP A 68 7.696 27.676 -11.155 1.00 0.00 N ATOM 1037 CA ASP A 68 7.693 29.116 -11.286 1.00 0.00 C ATOM 1038 C ASP A 68 7.901 29.788 -9.922 1.00 0.00 C ATOM 1039 O ASP A 68 8.345 30.928 -9.827 1.00 0.00 O ATOM 1040 CB ASP A 68 6.338 29.494 -11.874 1.00 0.00 C ATOM 1041 CG ASP A 68 5.975 28.869 -13.241 1.00 0.00 C ATOM 1042 OD1 ASP A 68 6.865 28.558 -14.065 1.00 0.00 O ATOM 1043 OD2 ASP A 68 4.757 28.644 -13.432 1.00 0.00 O ATOM 0 H ASP A 68 6.778 27.297 -11.386 1.00 0.00 H new ATOM 0 HA ASP A 68 8.507 29.452 -11.929 1.00 0.00 H new ATOM 0 HB2 ASP A 68 5.566 29.215 -11.157 1.00 0.00 H new ATOM 0 HB3 ASP A 68 6.302 30.579 -11.975 1.00 0.00 H new ATOM 1048 N THR A 69 7.609 29.056 -8.837 1.00 0.00 N ATOM 1049 CA THR A 69 8.009 29.376 -7.483 1.00 0.00 C ATOM 1050 C THR A 69 8.429 28.102 -6.752 1.00 0.00 C ATOM 1051 O THR A 69 7.892 27.021 -7.003 1.00 0.00 O ATOM 1052 CB THR A 69 6.836 29.999 -6.725 1.00 0.00 C ATOM 1053 OG1 THR A 69 5.586 29.442 -7.061 1.00 0.00 O ATOM 1054 CG2 THR A 69 6.723 31.507 -6.917 1.00 0.00 C ATOM 0 H THR A 69 7.066 28.194 -8.894 1.00 0.00 H new ATOM 0 HA THR A 69 8.842 30.078 -7.525 1.00 0.00 H new ATOM 0 HB THR A 69 7.071 29.773 -5.685 1.00 0.00 H new ATOM 0 HG1 THR A 69 4.881 29.882 -6.541 1.00 0.00 H new ATOM 0 HG21 THR A 69 5.870 31.883 -6.352 1.00 0.00 H new ATOM 0 HG22 THR A 69 7.634 31.988 -6.562 1.00 0.00 H new ATOM 0 HG23 THR A 69 6.584 31.730 -7.975 1.00 0.00 H new ATOM 1062 N GLU A 70 9.287 28.260 -5.743 1.00 0.00 N ATOM 1063 CA GLU A 70 9.605 27.233 -4.732 1.00 0.00 C ATOM 1064 C GLU A 70 8.344 26.611 -4.153 1.00 0.00 C ATOM 1065 O GLU A 70 8.116 25.405 -4.203 1.00 0.00 O ATOM 1066 CB GLU A 70 10.398 27.910 -3.600 1.00 0.00 C ATOM 1067 CG GLU A 70 11.270 26.946 -2.781 1.00 0.00 C ATOM 1068 CD GLU A 70 10.616 26.409 -1.495 1.00 0.00 C ATOM 1069 OE1 GLU A 70 9.370 26.349 -1.369 1.00 0.00 O ATOM 1070 OE2 GLU A 70 11.376 26.003 -0.592 1.00 0.00 O ATOM 0 H GLU A 70 9.799 29.130 -5.596 1.00 0.00 H new ATOM 0 HA GLU A 70 10.184 26.439 -5.203 1.00 0.00 H new ATOM 0 HB2 GLU A 70 11.035 28.683 -4.029 1.00 0.00 H new ATOM 0 HB3 GLU A 70 9.699 28.409 -2.929 1.00 0.00 H new ATOM 0 HG2 GLU A 70 11.542 26.100 -3.413 1.00 0.00 H new ATOM 0 HG3 GLU A 70 12.196 27.455 -2.514 1.00 0.00 H new ATOM 1077 N SER A 71 7.469 27.514 -3.728 1.00 0.00 N ATOM 1078 CA SER A 71 6.166 27.201 -3.157 1.00 0.00 C ATOM 1079 C SER A 71 5.331 26.326 -4.087 1.00 0.00 C ATOM 1080 O SER A 71 4.598 25.472 -3.595 1.00 0.00 O ATOM 1081 CB SER A 71 5.395 28.482 -2.842 1.00 0.00 C ATOM 1082 OG SER A 71 4.575 28.287 -1.696 1.00 0.00 O ATOM 0 H SER A 71 7.653 28.516 -3.773 1.00 0.00 H new ATOM 0 HA SER A 71 6.348 26.646 -2.237 1.00 0.00 H new ATOM 0 HB2 SER A 71 6.092 29.302 -2.666 1.00 0.00 H new ATOM 0 HB3 SER A 71 4.779 28.765 -3.696 1.00 0.00 H new ATOM 0 HG SER A 71 4.085 29.113 -1.500 1.00 0.00 H new ATOM 1088 N LYS A 72 5.453 26.487 -5.417 1.00 0.00 N ATOM 1089 CA LYS A 72 4.821 25.565 -6.369 1.00 0.00 C ATOM 1090 C LYS A 72 5.371 24.147 -6.202 1.00 0.00 C ATOM 1091 O LYS A 72 4.596 23.215 -5.987 1.00 0.00 O ATOM 1092 CB LYS A 72 4.873 26.025 -7.845 1.00 0.00 C ATOM 1093 CG LYS A 72 3.733 25.272 -8.574 1.00 0.00 C ATOM 1094 CD LYS A 72 3.696 25.379 -10.099 1.00 0.00 C ATOM 1095 CE LYS A 72 3.553 26.817 -10.600 1.00 0.00 C ATOM 1096 NZ LYS A 72 3.373 26.826 -12.066 1.00 0.00 N ATOM 0 H LYS A 72 5.981 27.244 -5.852 1.00 0.00 H new ATOM 0 HA LYS A 72 3.761 25.567 -6.116 1.00 0.00 H new ATOM 0 HB2 LYS A 72 4.738 27.104 -7.921 1.00 0.00 H new ATOM 0 HB3 LYS A 72 5.840 25.793 -8.291 1.00 0.00 H new ATOM 0 HG2 LYS A 72 3.801 24.217 -8.310 1.00 0.00 H new ATOM 0 HG3 LYS A 72 2.783 25.638 -8.185 1.00 0.00 H new ATOM 0 HD2 LYS A 72 4.609 24.948 -10.509 1.00 0.00 H new ATOM 0 HD3 LYS A 72 2.865 24.785 -10.478 1.00 0.00 H new ATOM 0 HE2 LYS A 72 2.701 27.296 -10.118 1.00 0.00 H new ATOM 0 HE3 LYS A 72 4.437 27.394 -10.330 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 3.580 27.776 -12.435 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 4.021 26.138 -12.500 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 2.392 26.571 -12.297 1.00 0.00 H new ATOM 1110 N PHE A 73 6.695 23.990 -6.243 1.00 0.00 N ATOM 1111 CA PHE A 73 7.341 22.680 -6.054 1.00 0.00 C ATOM 1112 C PHE A 73 6.957 22.036 -4.710 1.00 0.00 C ATOM 1113 O PHE A 73 6.564 20.870 -4.634 1.00 0.00 O ATOM 1114 CB PHE A 73 8.868 22.812 -6.166 1.00 0.00 C ATOM 1115 CG PHE A 73 9.590 21.479 -6.107 1.00 0.00 C ATOM 1116 CD1 PHE A 73 9.236 20.442 -6.993 1.00 0.00 C ATOM 1117 CD2 PHE A 73 10.578 21.249 -5.128 1.00 0.00 C ATOM 1118 CE1 PHE A 73 9.833 19.177 -6.877 1.00 0.00 C ATOM 1119 CE2 PHE A 73 11.178 19.984 -5.018 1.00 0.00 C ATOM 1120 CZ PHE A 73 10.794 18.945 -5.881 1.00 0.00 C ATOM 0 H PHE A 73 7.349 24.756 -6.406 1.00 0.00 H new ATOM 0 HA PHE A 73 6.981 22.024 -6.846 1.00 0.00 H new ATOM 0 HB2 PHE A 73 9.115 23.310 -7.103 1.00 0.00 H new ATOM 0 HB3 PHE A 73 9.231 23.450 -5.360 1.00 0.00 H new ATOM 0 HD1 PHE A 73 8.502 20.621 -7.765 1.00 0.00 H new ATOM 0 HD2 PHE A 73 10.874 22.046 -4.462 1.00 0.00 H new ATOM 0 HE1 PHE A 73 9.553 18.383 -7.554 1.00 0.00 H new ATOM 0 HE2 PHE A 73 11.936 19.810 -4.269 1.00 0.00 H new ATOM 0 HZ PHE A 73 11.239 17.966 -5.778 1.00 0.00 H new ATOM 1130 N ARG A 74 6.983 22.837 -3.643 1.00 0.00 N ATOM 1131 CA ARG A 74 6.657 22.441 -2.273 1.00 0.00 C ATOM 1132 C ARG A 74 5.196 22.023 -2.076 1.00 0.00 C ATOM 1133 O ARG A 74 4.940 21.192 -1.209 1.00 0.00 O ATOM 1134 CB ARG A 74 7.093 23.584 -1.339 1.00 0.00 C ATOM 1135 CG ARG A 74 7.126 23.185 0.144 1.00 0.00 C ATOM 1136 CD ARG A 74 7.712 24.304 1.022 1.00 0.00 C ATOM 1137 NE ARG A 74 9.173 24.461 0.861 1.00 0.00 N ATOM 1138 CZ ARG A 74 10.140 23.858 1.536 1.00 0.00 C ATOM 1139 NH1 ARG A 74 9.893 22.930 2.420 1.00 0.00 N ATOM 1140 NH2 ARG A 74 11.383 24.165 1.339 1.00 0.00 N ATOM 0 H ARG A 74 7.243 23.821 -3.714 1.00 0.00 H new ATOM 0 HA ARG A 74 7.206 21.532 -2.026 1.00 0.00 H new ATOM 0 HB2 ARG A 74 8.084 23.928 -1.637 1.00 0.00 H new ATOM 0 HB3 ARG A 74 6.412 24.426 -1.466 1.00 0.00 H new ATOM 0 HG2 ARG A 74 6.116 22.950 0.480 1.00 0.00 H new ATOM 0 HG3 ARG A 74 7.721 22.279 0.264 1.00 0.00 H new ATOM 0 HD2 ARG A 74 7.222 25.246 0.775 1.00 0.00 H new ATOM 0 HD3 ARG A 74 7.488 24.092 2.068 1.00 0.00 H new ATOM 0 HE ARG A 74 9.474 25.116 0.139 1.00 0.00 H new ATOM 0 HH11 ARG A 74 8.931 22.649 2.609 1.00 0.00 H new ATOM 0 HH12 ARG A 74 10.662 22.486 2.922 1.00 0.00 H new ATOM 0 HH21 ARG A 74 11.629 24.881 0.655 1.00 0.00 H new ATOM 0 HH22 ARG A 74 12.115 23.691 1.867 1.00 0.00 H new ATOM 1154 N LYS A 75 4.247 22.501 -2.894 1.00 0.00 N ATOM 1155 CA LYS A 75 2.854 22.023 -2.895 1.00 0.00 C ATOM 1156 C LYS A 75 2.758 20.560 -3.334 1.00 0.00 C ATOM 1157 O LYS A 75 1.946 19.823 -2.783 1.00 0.00 O ATOM 1158 CB LYS A 75 1.928 22.913 -3.758 1.00 0.00 C ATOM 1159 CG LYS A 75 1.070 23.890 -2.929 1.00 0.00 C ATOM 1160 CD LYS A 75 1.856 25.143 -2.538 1.00 0.00 C ATOM 1161 CE LYS A 75 1.058 26.104 -1.655 1.00 0.00 C ATOM 1162 NZ LYS A 75 1.788 27.387 -1.484 1.00 0.00 N ATOM 0 H LYS A 75 4.425 23.236 -3.579 1.00 0.00 H new ATOM 0 HA LYS A 75 2.506 22.092 -1.864 1.00 0.00 H new ATOM 0 HB2 LYS A 75 2.536 23.482 -4.461 1.00 0.00 H new ATOM 0 HB3 LYS A 75 1.270 22.275 -4.348 1.00 0.00 H new ATOM 0 HG2 LYS A 75 0.189 24.178 -3.503 1.00 0.00 H new ATOM 0 HG3 LYS A 75 0.714 23.388 -2.029 1.00 0.00 H new ATOM 0 HD2 LYS A 75 2.763 24.846 -2.012 1.00 0.00 H new ATOM 0 HD3 LYS A 75 2.168 25.665 -3.442 1.00 0.00 H new ATOM 0 HE2 LYS A 75 0.082 26.292 -2.102 1.00 0.00 H new ATOM 0 HE3 LYS A 75 0.880 25.648 -0.681 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 1.660 27.732 -0.511 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 2.801 27.237 -1.668 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 1.415 28.090 -2.153 1.00 0.00 H new ATOM 1176 N LEU A 76 3.613 20.131 -4.266 1.00 0.00 N ATOM 1177 CA LEU A 76 3.649 18.731 -4.705 1.00 0.00 C ATOM 1178 C LEU A 76 4.414 17.880 -3.717 1.00 0.00 C ATOM 1179 O LEU A 76 3.909 16.867 -3.244 1.00 0.00 O ATOM 1180 CB LEU A 76 4.234 18.634 -6.129 1.00 0.00 C ATOM 1181 CG LEU A 76 4.036 17.251 -6.791 1.00 0.00 C ATOM 1182 CD1 LEU A 76 3.970 17.393 -8.312 1.00 0.00 C ATOM 1183 CD2 LEU A 76 5.190 16.283 -6.504 1.00 0.00 C ATOM 0 H LEU A 76 4.291 20.733 -4.733 1.00 0.00 H new ATOM 0 HA LEU A 76 2.631 18.343 -4.740 1.00 0.00 H new ATOM 0 HB2 LEU A 76 3.770 19.396 -6.755 1.00 0.00 H new ATOM 0 HB3 LEU A 76 5.300 18.859 -6.090 1.00 0.00 H new ATOM 0 HG LEU A 76 3.110 16.857 -6.372 1.00 0.00 H new ATOM 0 HD11 LEU A 76 3.830 16.411 -8.763 1.00 0.00 H new ATOM 0 HD12 LEU A 76 3.134 18.038 -8.581 1.00 0.00 H new ATOM 0 HD13 LEU A 76 4.899 17.831 -8.677 1.00 0.00 H new ATOM 0 HD21 LEU A 76 4.995 15.329 -6.994 1.00 0.00 H new ATOM 0 HD22 LEU A 76 6.121 16.703 -6.885 1.00 0.00 H new ATOM 0 HD23 LEU A 76 5.275 16.127 -5.429 1.00 0.00 H new ATOM 1195 N VAL A 77 5.600 18.348 -3.348 1.00 0.00 N ATOM 1196 CA VAL A 77 6.447 17.621 -2.393 1.00 0.00 C ATOM 1197 C VAL A 77 5.705 17.350 -1.093 1.00 0.00 C ATOM 1198 O VAL A 77 5.664 16.213 -0.620 1.00 0.00 O ATOM 1199 CB VAL A 77 7.772 18.365 -2.164 1.00 0.00 C ATOM 1200 CG1 VAL A 77 8.541 17.873 -0.942 1.00 0.00 C ATOM 1201 CG2 VAL A 77 8.674 18.190 -3.384 1.00 0.00 C ATOM 0 H VAL A 77 6.001 19.222 -3.689 1.00 0.00 H new ATOM 0 HA VAL A 77 6.692 16.649 -2.822 1.00 0.00 H new ATOM 0 HB VAL A 77 7.508 19.409 -1.998 1.00 0.00 H new ATOM 0 HG11 VAL A 77 9.465 18.442 -0.841 1.00 0.00 H new ATOM 0 HG12 VAL A 77 7.931 18.010 -0.049 1.00 0.00 H new ATOM 0 HG13 VAL A 77 8.777 16.816 -1.062 1.00 0.00 H new ATOM 0 HG21 VAL A 77 9.613 18.718 -3.221 1.00 0.00 H new ATOM 0 HG22 VAL A 77 8.876 17.130 -3.538 1.00 0.00 H new ATOM 0 HG23 VAL A 77 8.178 18.597 -4.265 1.00 0.00 H new ATOM 1211 N THR A 78 5.005 18.358 -0.575 1.00 0.00 N ATOM 1212 CA THR A 78 4.202 18.203 0.634 1.00 0.00 C ATOM 1213 C THR A 78 3.029 17.274 0.408 1.00 0.00 C ATOM 1214 O THR A 78 2.755 16.433 1.259 1.00 0.00 O ATOM 1215 CB THR A 78 3.706 19.549 1.184 1.00 0.00 C ATOM 1216 OG1 THR A 78 4.786 20.438 1.336 1.00 0.00 O ATOM 1217 CG2 THR A 78 3.036 19.436 2.553 1.00 0.00 C ATOM 0 H THR A 78 4.979 19.295 -0.977 1.00 0.00 H new ATOM 0 HA THR A 78 4.862 17.759 1.380 1.00 0.00 H new ATOM 0 HB THR A 78 2.974 19.906 0.459 1.00 0.00 H new ATOM 0 HG1 THR A 78 4.854 21.009 0.542 1.00 0.00 H new ATOM 0 HG21 THR A 78 2.710 20.423 2.881 1.00 0.00 H new ATOM 0 HG22 THR A 78 2.173 18.774 2.482 1.00 0.00 H new ATOM 0 HG23 THR A 78 3.746 19.030 3.273 1.00 0.00 H new ATOM 1225 N ALA A 79 2.369 17.359 -0.745 1.00 0.00 N ATOM 1226 CA ALA A 79 1.173 16.556 -0.963 1.00 0.00 C ATOM 1227 C ALA A 79 1.470 15.076 -1.167 1.00 0.00 C ATOM 1228 O ALA A 79 0.687 14.227 -0.742 1.00 0.00 O ATOM 1229 CB ALA A 79 0.349 17.144 -2.111 1.00 0.00 C ATOM 0 H ALA A 79 2.635 17.961 -1.524 1.00 0.00 H new ATOM 0 HA ALA A 79 0.579 16.601 -0.050 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -0.543 16.537 -2.267 1.00 0.00 H new ATOM 0 HB2 ALA A 79 0.055 18.164 -1.863 1.00 0.00 H new ATOM 0 HB3 ALA A 79 0.947 17.150 -3.022 1.00 0.00 H new ATOM 1235 N ILE A 80 2.637 14.759 -1.722 1.00 0.00 N ATOM 1236 CA ILE A 80 3.067 13.374 -1.892 1.00 0.00 C ATOM 1237 C ILE A 80 3.560 12.830 -0.548 1.00 0.00 C ATOM 1238 O ILE A 80 3.262 11.688 -0.207 1.00 0.00 O ATOM 1239 CB ILE A 80 4.120 13.282 -3.012 1.00 0.00 C ATOM 1240 CG1 ILE A 80 3.585 13.738 -4.392 1.00 0.00 C ATOM 1241 CG2 ILE A 80 4.675 11.856 -3.128 1.00 0.00 C ATOM 1242 CD1 ILE A 80 2.464 12.887 -5.000 1.00 0.00 C ATOM 0 H ILE A 80 3.306 15.449 -2.064 1.00 0.00 H new ATOM 0 HA ILE A 80 2.232 12.747 -2.205 1.00 0.00 H new ATOM 0 HB ILE A 80 4.917 13.969 -2.726 1.00 0.00 H new ATOM 0 HG12 ILE A 80 3.224 14.762 -4.298 1.00 0.00 H new ATOM 0 HG13 ILE A 80 4.419 13.757 -5.093 1.00 0.00 H new ATOM 0 HG21 ILE A 80 5.417 11.818 -3.926 1.00 0.00 H new ATOM 0 HG22 ILE A 80 5.141 11.569 -2.185 1.00 0.00 H new ATOM 0 HG23 ILE A 80 3.862 11.166 -3.355 1.00 0.00 H new ATOM 0 HD11 ILE A 80 2.173 13.304 -5.964 1.00 0.00 H new ATOM 0 HD12 ILE A 80 2.817 11.865 -5.138 1.00 0.00 H new ATOM 0 HD13 ILE A 80 1.604 12.886 -4.330 1.00 0.00 H new ATOM 1254 N LYS A 81 4.228 13.657 0.267 1.00 0.00 N ATOM 1255 CA LYS A 81 4.738 13.255 1.590 1.00 0.00 C ATOM 1256 C LYS A 81 3.599 13.014 2.572 1.00 0.00 C ATOM 1257 O LYS A 81 3.578 12.025 3.300 1.00 0.00 O ATOM 1258 CB LYS A 81 5.671 14.348 2.129 1.00 0.00 C ATOM 1259 CG LYS A 81 6.320 13.922 3.459 1.00 0.00 C ATOM 1260 CD LYS A 81 7.676 14.585 3.731 1.00 0.00 C ATOM 1261 CE LYS A 81 8.746 13.912 2.870 1.00 0.00 C ATOM 1262 NZ LYS A 81 10.116 14.268 3.291 1.00 0.00 N ATOM 0 H LYS A 81 4.432 14.628 0.029 1.00 0.00 H new ATOM 0 HA LYS A 81 5.288 12.320 1.479 1.00 0.00 H new ATOM 0 HB2 LYS A 81 6.448 14.561 1.395 1.00 0.00 H new ATOM 0 HB3 LYS A 81 5.109 15.270 2.275 1.00 0.00 H new ATOM 0 HG2 LYS A 81 5.640 14.161 4.276 1.00 0.00 H new ATOM 0 HG3 LYS A 81 6.450 12.840 3.458 1.00 0.00 H new ATOM 0 HD2 LYS A 81 7.626 15.650 3.504 1.00 0.00 H new ATOM 0 HD3 LYS A 81 7.933 14.496 4.787 1.00 0.00 H new ATOM 0 HE2 LYS A 81 8.623 12.830 2.922 1.00 0.00 H new ATOM 0 HE3 LYS A 81 8.603 14.199 1.828 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 10.796 13.619 2.846 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 10.327 15.243 2.998 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 10.192 14.193 4.326 1.00 0.00 H new ATOM 1276 N ALA A 82 2.650 13.937 2.568 1.00 0.00 N ATOM 1277 CA ALA A 82 1.432 13.894 3.371 1.00 0.00 C ATOM 1278 C ALA A 82 0.559 12.696 2.981 1.00 0.00 C ATOM 1279 O ALA A 82 0.161 11.917 3.845 1.00 0.00 O ATOM 1280 CB ALA A 82 0.674 15.219 3.228 1.00 0.00 C ATOM 0 H ALA A 82 2.707 14.771 1.983 1.00 0.00 H new ATOM 0 HA ALA A 82 1.700 13.763 4.419 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -0.235 15.185 3.828 1.00 0.00 H new ATOM 0 HB2 ALA A 82 1.305 16.038 3.572 1.00 0.00 H new ATOM 0 HB3 ALA A 82 0.412 15.377 2.182 1.00 0.00 H new ATOM 1286 N ALA A 83 0.324 12.499 1.678 1.00 0.00 N ATOM 1287 CA ALA A 83 -0.398 11.330 1.183 1.00 0.00 C ATOM 1288 C ALA A 83 0.292 10.011 1.545 1.00 0.00 C ATOM 1289 O ALA A 83 -0.378 9.040 1.898 1.00 0.00 O ATOM 1290 CB ALA A 83 -0.628 11.455 -0.327 1.00 0.00 C ATOM 0 H ALA A 83 0.628 13.141 0.946 1.00 0.00 H new ATOM 0 HA ALA A 83 -1.366 11.304 1.683 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -1.167 10.579 -0.687 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -1.214 12.351 -0.533 1.00 0.00 H new ATOM 0 HB3 ALA A 83 0.333 11.524 -0.837 1.00 0.00 H new ATOM 1296 N LEU A 84 1.625 9.990 1.522 1.00 0.00 N ATOM 1297 CA LEU A 84 2.419 8.817 1.904 1.00 0.00 C ATOM 1298 C LEU A 84 2.201 8.474 3.375 1.00 0.00 C ATOM 1299 O LEU A 84 1.798 7.364 3.717 1.00 0.00 O ATOM 1300 CB LEU A 84 3.905 9.065 1.596 1.00 0.00 C ATOM 1301 CG LEU A 84 4.861 7.867 1.707 1.00 0.00 C ATOM 1302 CD1 LEU A 84 5.335 7.588 3.135 1.00 0.00 C ATOM 1303 CD2 LEU A 84 4.279 6.576 1.115 1.00 0.00 C ATOM 0 H LEU A 84 2.190 10.790 1.236 1.00 0.00 H new ATOM 0 HA LEU A 84 2.090 7.959 1.318 1.00 0.00 H new ATOM 0 HB2 LEU A 84 3.977 9.461 0.583 1.00 0.00 H new ATOM 0 HB3 LEU A 84 4.263 9.844 2.269 1.00 0.00 H new ATOM 0 HG LEU A 84 5.724 8.171 1.114 1.00 0.00 H new ATOM 0 HD11 LEU A 84 6.006 6.729 3.134 1.00 0.00 H new ATOM 0 HD12 LEU A 84 5.863 8.460 3.520 1.00 0.00 H new ATOM 0 HD13 LEU A 84 4.474 7.375 3.769 1.00 0.00 H new ATOM 0 HD21 LEU A 84 5.002 5.767 1.224 1.00 0.00 H new ATOM 0 HD22 LEU A 84 3.361 6.316 1.642 1.00 0.00 H new ATOM 0 HD23 LEU A 84 4.060 6.727 0.058 1.00 0.00 H new ATOM 1315 N ALA A 85 2.427 9.449 4.248 1.00 0.00 N ATOM 1316 CA ALA A 85 2.209 9.290 5.688 1.00 0.00 C ATOM 1317 C ALA A 85 0.762 8.925 6.081 1.00 0.00 C ATOM 1318 O ALA A 85 0.544 8.314 7.123 1.00 0.00 O ATOM 1319 CB ALA A 85 2.689 10.560 6.397 1.00 0.00 C ATOM 0 H ALA A 85 2.766 10.373 3.981 1.00 0.00 H new ATOM 0 HA ALA A 85 2.793 8.429 6.014 1.00 0.00 H new ATOM 0 HB1 ALA A 85 2.534 10.458 7.471 1.00 0.00 H new ATOM 0 HB2 ALA A 85 3.750 10.710 6.196 1.00 0.00 H new ATOM 0 HB3 ALA A 85 2.126 11.417 6.029 1.00 0.00 H new ATOM 1325 N GLN A 86 -0.209 9.236 5.222 1.00 0.00 N ATOM 1326 CA GLN A 86 -1.633 8.911 5.382 1.00 0.00 C ATOM 1327 C GLN A 86 -1.953 7.491 4.899 1.00 0.00 C ATOM 1328 O GLN A 86 -2.727 6.765 5.516 1.00 0.00 O ATOM 1329 CB GLN A 86 -2.474 9.978 4.659 1.00 0.00 C ATOM 1330 CG GLN A 86 -3.982 9.841 4.918 1.00 0.00 C ATOM 1331 CD GLN A 86 -4.772 10.970 4.263 1.00 0.00 C ATOM 1332 OE1 GLN A 86 -5.283 11.871 4.901 1.00 0.00 O ATOM 1333 NE2 GLN A 86 -4.904 10.989 2.956 1.00 0.00 N ATOM 0 H GLN A 86 -0.020 9.743 4.357 1.00 0.00 H new ATOM 0 HA GLN A 86 -1.887 8.925 6.442 1.00 0.00 H new ATOM 0 HB2 GLN A 86 -2.146 10.967 4.978 1.00 0.00 H new ATOM 0 HB3 GLN A 86 -2.289 9.912 3.587 1.00 0.00 H new ATOM 0 HG2 GLN A 86 -4.331 8.882 4.535 1.00 0.00 H new ATOM 0 HG3 GLN A 86 -4.168 9.842 5.992 1.00 0.00 H new ATOM 0 HE21 GLN A 86 -4.488 10.249 2.391 1.00 0.00 H new ATOM 0 HE22 GLN A 86 -5.422 11.744 2.507 1.00 0.00 H new ATOM 1342 N CYS A 87 -1.299 7.080 3.816 1.00 0.00 N ATOM 1343 CA CYS A 87 -1.276 5.714 3.289 1.00 0.00 C ATOM 1344 C CYS A 87 -0.682 4.713 4.285 1.00 0.00 C ATOM 1345 O CYS A 87 -1.131 3.575 4.348 1.00 0.00 O ATOM 1346 CB CYS A 87 -0.448 5.715 1.995 1.00 0.00 C ATOM 1347 SG CYS A 87 -0.611 4.145 1.091 1.00 0.00 S ATOM 0 H CYS A 87 -0.742 7.722 3.252 1.00 0.00 H new ATOM 0 HA CYS A 87 -2.302 5.399 3.100 1.00 0.00 H new ATOM 0 HB2 CYS A 87 -0.771 6.538 1.357 1.00 0.00 H new ATOM 0 HB3 CYS A 87 0.601 5.890 2.234 1.00 0.00 H new ATOM 0 HG CYS A 87 0.103 4.193 0.006 1.00 0.00 H new ATOM 1353 N GLN A 88 0.326 5.126 5.059 1.00 0.00 N ATOM 1354 CA GLN A 88 1.049 4.226 5.976 1.00 0.00 C ATOM 1355 C GLN A 88 0.248 3.680 7.176 1.00 0.00 C ATOM 1356 O GLN A 88 0.747 2.797 7.868 1.00 0.00 O ATOM 1357 CB GLN A 88 2.358 4.886 6.430 1.00 0.00 C ATOM 1358 CG GLN A 88 3.416 4.765 5.321 1.00 0.00 C ATOM 1359 CD GLN A 88 4.825 5.166 5.739 1.00 0.00 C ATOM 1360 OE1 GLN A 88 5.797 4.733 5.149 1.00 0.00 O ATOM 1361 NE2 GLN A 88 5.020 5.988 6.748 1.00 0.00 N ATOM 0 H GLN A 88 0.666 6.088 5.071 1.00 0.00 H new ATOM 0 HA GLN A 88 1.253 3.332 5.387 1.00 0.00 H new ATOM 0 HB2 GLN A 88 2.184 5.936 6.666 1.00 0.00 H new ATOM 0 HB3 GLN A 88 2.718 4.410 7.342 1.00 0.00 H new ATOM 0 HG2 GLN A 88 3.436 3.734 4.968 1.00 0.00 H new ATOM 0 HG3 GLN A 88 3.111 5.385 4.478 1.00 0.00 H new ATOM 0 HE21 GLN A 88 4.222 6.366 7.260 1.00 0.00 H new ATOM 0 HE22 GLN A 88 5.969 6.248 7.018 1.00 0.00 H new