USER MOD reduce.3.24.130724 H: found=0, std=0, add=501, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 493 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 34 HIS : no HE2:sc= -3.78! C(o=-9.4!,f=-18!) USER MOD Set 1.2: A 49 CYS SG : rot 55:sc= -3.76 USER MOD Set 1.3: A 50 CYS SG : rot 180:sc= 0.564 USER MOD Set 1.4: A 66 CYS SG : rot -132:sc= -0.287 USER MOD Set 1.5: A 67 THR OG1 : rot -100:sc= -2.11 USER MOD Set 2.1: A 12 CYS SG : rot 154:sc= -1.38 USER MOD Set 2.2: A 14 ASN : amide:sc= -7.82! C(o=-21!,f=-29!) USER MOD Set 2.3: A 17 CYS SG : rot -151:sc= 0.519 USER MOD Set 2.4: A 26 ASN : amide:sc= -2.91 K(o=-21,f=-23!) USER MOD Set 2.5: A 31 CYS SG : rot 50:sc= -1.17 USER MOD Set 2.6: A 71 HIS : no HD1:sc= -4.8! C(o=-21!,f=-21!) USER MOD Set 2.7: A 72 ASN : amide:sc= -3.04! C(o=-21!,f=-21!) USER MOD Single : A 8 MET CE :methyl 166:sc= -0.0304 (180deg=-0.316) USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 19 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot 180:sc= 0 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= -7.92! C(o=-7.9!,f=-15!) USER MOD Single : A 45 LYS NZ :NH3+ -146:sc= -0.374 (180deg=-2.46!) USER MOD Single : A 48 SER OG : rot -40:sc= 0.574 USER MOD Single : A 51 LYS NZ :NH3+ 165:sc=-0.00351 (180deg=-0.135) USER MOD Single : A 54 THR OG1 : rot 140:sc= -0.071 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 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 66 N MET A 8 -0.432 14.115 -1.735 1.00 0.00 N ATOM 67 CA MET A 8 1.019 14.021 -1.823 1.00 0.00 C ATOM 68 C MET A 8 1.485 12.585 -1.606 1.00 0.00 C ATOM 69 O MET A 8 2.665 12.335 -1.362 1.00 0.00 O ATOM 70 CB MET A 8 1.675 14.943 -0.792 1.00 0.00 C ATOM 71 CG MET A 8 1.068 14.831 0.596 1.00 0.00 C ATOM 72 SD MET A 8 2.010 15.730 1.842 1.00 0.00 S ATOM 73 CE MET A 8 1.847 17.410 1.243 1.00 0.00 C ATOM 0 HA MET A 8 1.318 14.335 -2.823 1.00 0.00 H new ATOM 0 HB2 MET A 8 2.739 14.711 -0.734 1.00 0.00 H new ATOM 0 HB3 MET A 8 1.591 15.975 -1.134 1.00 0.00 H new ATOM 0 HG2 MET A 8 0.047 15.212 0.573 1.00 0.00 H new ATOM 0 HG3 MET A 8 1.010 13.780 0.879 1.00 0.00 H new ATOM 0 HE1 MET A 8 2.156 18.106 2.023 1.00 0.00 H new ATOM 0 HE2 MET A 8 2.478 17.546 0.365 1.00 0.00 H new ATOM 0 HE3 MET A 8 0.808 17.602 0.976 1.00 0.00 H new ATOM 83 N ALA A 9 0.551 11.644 -1.696 1.00 0.00 N ATOM 84 CA ALA A 9 0.866 10.233 -1.512 1.00 0.00 C ATOM 85 C ALA A 9 1.310 9.594 -2.823 1.00 0.00 C ATOM 86 O ALA A 9 0.481 9.173 -3.632 1.00 0.00 O ATOM 87 CB ALA A 9 -0.335 9.494 -0.941 1.00 0.00 C ATOM 0 H ALA A 9 -0.431 11.834 -1.895 1.00 0.00 H new ATOM 0 HA ALA A 9 1.693 10.160 -0.805 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -0.085 8.441 -0.809 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -0.604 9.927 0.022 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -1.177 9.584 -1.627 1.00 0.00 H new ATOM 93 N LEU A 10 2.620 9.524 -3.029 1.00 0.00 N ATOM 94 CA LEU A 10 3.174 8.936 -4.244 1.00 0.00 C ATOM 95 C LEU A 10 3.176 7.413 -4.159 1.00 0.00 C ATOM 96 O LEU A 10 3.485 6.838 -3.114 1.00 0.00 O ATOM 97 CB LEU A 10 4.596 9.447 -4.479 1.00 0.00 C ATOM 98 CG LEU A 10 4.833 10.929 -4.190 1.00 0.00 C ATOM 99 CD1 LEU A 10 6.240 11.335 -4.600 1.00 0.00 C ATOM 100 CD2 LEU A 10 3.799 11.784 -4.908 1.00 0.00 C ATOM 0 H LEU A 10 3.319 9.867 -2.370 1.00 0.00 H new ATOM 0 HA LEU A 10 2.545 9.234 -5.082 1.00 0.00 H new ATOM 0 HB2 LEU A 10 5.277 8.863 -3.860 1.00 0.00 H new ATOM 0 HB3 LEU A 10 4.863 9.253 -5.518 1.00 0.00 H new ATOM 0 HG LEU A 10 4.728 11.091 -3.117 1.00 0.00 H new ATOM 0 HD11 LEU A 10 6.390 12.393 -4.387 1.00 0.00 H new ATOM 0 HD12 LEU A 10 6.966 10.746 -4.041 1.00 0.00 H new ATOM 0 HD13 LEU A 10 6.373 11.158 -5.667 1.00 0.00 H new ATOM 0 HD21 LEU A 10 3.983 12.836 -4.691 1.00 0.00 H new ATOM 0 HD22 LEU A 10 3.872 11.617 -5.983 1.00 0.00 H new ATOM 0 HD23 LEU A 10 2.801 11.512 -4.565 1.00 0.00 H new ATOM 112 N LEU A 11 2.832 6.764 -5.266 1.00 0.00 N ATOM 113 CA LEU A 11 2.795 5.306 -5.319 1.00 0.00 C ATOM 114 C LEU A 11 4.196 4.733 -5.508 1.00 0.00 C ATOM 115 O LEU A 11 4.892 5.070 -6.466 1.00 0.00 O ATOM 116 CB LEU A 11 1.884 4.840 -6.455 1.00 0.00 C ATOM 117 CG LEU A 11 1.839 3.332 -6.704 1.00 0.00 C ATOM 118 CD1 LEU A 11 1.922 2.571 -5.389 1.00 0.00 C ATOM 119 CD2 LEU A 11 0.575 2.953 -7.463 1.00 0.00 C ATOM 0 H LEU A 11 2.575 7.224 -6.139 1.00 0.00 H new ATOM 0 HA LEU A 11 2.398 4.942 -4.371 1.00 0.00 H new ATOM 0 HB2 LEU A 11 0.871 5.184 -6.246 1.00 0.00 H new ATOM 0 HB3 LEU A 11 2.204 5.330 -7.375 1.00 0.00 H new ATOM 0 HG LEU A 11 2.700 3.058 -7.314 1.00 0.00 H new ATOM 0 HD11 LEU A 11 1.889 1.499 -5.586 1.00 0.00 H new ATOM 0 HD12 LEU A 11 2.856 2.818 -4.884 1.00 0.00 H new ATOM 0 HD13 LEU A 11 1.081 2.850 -4.754 1.00 0.00 H new ATOM 0 HD21 LEU A 11 0.561 1.876 -7.631 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -0.300 3.241 -6.880 1.00 0.00 H new ATOM 0 HD23 LEU A 11 0.558 3.470 -8.422 1.00 0.00 H new ATOM 131 N CYS A 12 4.603 3.864 -4.589 1.00 0.00 N ATOM 132 CA CYS A 12 5.920 3.242 -4.654 1.00 0.00 C ATOM 133 C CYS A 12 5.929 2.090 -5.654 1.00 0.00 C ATOM 134 O CYS A 12 4.983 1.304 -5.720 1.00 0.00 O ATOM 135 CB CYS A 12 6.337 2.735 -3.272 1.00 0.00 C ATOM 136 SG CYS A 12 8.076 2.203 -3.168 1.00 0.00 S ATOM 0 H CYS A 12 4.039 3.574 -3.790 1.00 0.00 H new ATOM 0 HA CYS A 12 6.633 3.995 -4.988 1.00 0.00 H new ATOM 0 HB2 CYS A 12 6.165 3.525 -2.540 1.00 0.00 H new ATOM 0 HB3 CYS A 12 5.695 1.899 -2.995 1.00 0.00 H new ATOM 0 HG CYS A 12 8.495 2.325 -1.943 1.00 0.00 H new ATOM 141 N TYR A 13 7.002 1.997 -6.431 1.00 0.00 N ATOM 142 CA TYR A 13 7.134 0.942 -7.430 1.00 0.00 C ATOM 143 C TYR A 13 8.356 0.074 -7.147 1.00 0.00 C ATOM 144 O TYR A 13 9.023 -0.398 -8.068 1.00 0.00 O ATOM 145 CB TYR A 13 7.238 1.548 -8.830 1.00 0.00 C ATOM 146 CG TYR A 13 6.030 2.369 -9.226 1.00 0.00 C ATOM 147 CD1 TYR A 13 4.872 1.759 -9.691 1.00 0.00 C ATOM 148 CD2 TYR A 13 6.049 3.756 -9.133 1.00 0.00 C ATOM 149 CE1 TYR A 13 3.768 2.506 -10.054 1.00 0.00 C ATOM 150 CE2 TYR A 13 4.950 4.510 -9.492 1.00 0.00 C ATOM 151 CZ TYR A 13 3.811 3.881 -9.953 1.00 0.00 C ATOM 152 OH TYR A 13 2.714 4.628 -10.312 1.00 0.00 O ATOM 0 H TYR A 13 7.793 2.639 -6.389 1.00 0.00 H new ATOM 0 HA TYR A 13 6.245 0.314 -7.378 1.00 0.00 H new ATOM 0 HB2 TYR A 13 8.127 2.177 -8.879 1.00 0.00 H new ATOM 0 HB3 TYR A 13 7.375 0.746 -9.555 1.00 0.00 H new ATOM 0 HD1 TYR A 13 4.834 0.683 -9.770 1.00 0.00 H new ATOM 0 HD2 TYR A 13 6.939 4.252 -8.774 1.00 0.00 H new ATOM 0 HE1 TYR A 13 2.876 2.016 -10.415 1.00 0.00 H new ATOM 0 HE2 TYR A 13 4.981 5.587 -9.413 1.00 0.00 H new ATOM 0 HH TYR A 13 2.909 5.579 -10.180 1.00 0.00 H new ATOM 162 N ASN A 14 8.643 -0.133 -5.866 1.00 0.00 N ATOM 163 CA ASN A 14 9.785 -0.945 -5.461 1.00 0.00 C ATOM 164 C ASN A 14 9.352 -2.374 -5.148 1.00 0.00 C ATOM 165 O ASN A 14 8.186 -2.628 -4.844 1.00 0.00 O ATOM 166 CB ASN A 14 10.469 -0.328 -4.239 1.00 0.00 C ATOM 167 CG ASN A 14 11.108 1.011 -4.549 1.00 0.00 C ATOM 168 OD1 ASN A 14 11.701 1.196 -5.612 1.00 0.00 O ATOM 169 ND2 ASN A 14 10.991 1.953 -3.620 1.00 0.00 N ATOM 0 H ASN A 14 8.101 0.250 -5.091 1.00 0.00 H new ATOM 0 HA ASN A 14 10.492 -0.971 -6.290 1.00 0.00 H new ATOM 0 HB2 ASN A 14 9.737 -0.202 -3.441 1.00 0.00 H new ATOM 0 HB3 ASN A 14 11.231 -1.014 -3.868 1.00 0.00 H new ATOM 0 HD21 ASN A 14 11.402 2.874 -3.773 1.00 0.00 H new ATOM 0 HD22 ASN A 14 10.491 1.755 -2.753 1.00 0.00 H new ATOM 176 N ARG A 15 10.299 -3.303 -5.223 1.00 0.00 N ATOM 177 CA ARG A 15 10.017 -4.707 -4.949 1.00 0.00 C ATOM 178 C ARG A 15 9.726 -4.923 -3.466 1.00 0.00 C ATOM 179 O ARG A 15 10.597 -4.727 -2.618 1.00 0.00 O ATOM 180 CB ARG A 15 11.195 -5.581 -5.381 1.00 0.00 C ATOM 181 CG ARG A 15 11.695 -5.279 -6.785 1.00 0.00 C ATOM 182 CD ARG A 15 11.071 -6.211 -7.811 1.00 0.00 C ATOM 183 NE ARG A 15 10.917 -5.568 -9.113 1.00 0.00 N ATOM 184 CZ ARG A 15 11.914 -5.404 -9.975 1.00 0.00 C ATOM 185 NH1 ARG A 15 13.132 -5.835 -9.674 1.00 0.00 N ATOM 186 NH2 ARG A 15 11.694 -4.808 -11.140 1.00 0.00 N ATOM 0 H ARG A 15 11.269 -3.109 -5.471 1.00 0.00 H new ATOM 0 HA ARG A 15 9.134 -4.992 -5.521 1.00 0.00 H new ATOM 0 HB2 ARG A 15 12.015 -5.446 -4.676 1.00 0.00 H new ATOM 0 HB3 ARG A 15 10.898 -6.628 -5.328 1.00 0.00 H new ATOM 0 HG2 ARG A 15 11.461 -4.246 -7.041 1.00 0.00 H new ATOM 0 HG3 ARG A 15 12.780 -5.377 -6.815 1.00 0.00 H new ATOM 0 HD2 ARG A 15 11.692 -7.101 -7.917 1.00 0.00 H new ATOM 0 HD3 ARG A 15 10.096 -6.543 -7.453 1.00 0.00 H new ATOM 0 HE ARG A 15 9.992 -5.226 -9.375 1.00 0.00 H new ATOM 0 HH11 ARG A 15 13.304 -6.293 -8.779 1.00 0.00 H new ATOM 0 HH12 ARG A 15 13.896 -5.708 -10.337 1.00 0.00 H new ATOM 0 HH21 ARG A 15 10.759 -4.475 -11.374 1.00 0.00 H new ATOM 0 HH22 ARG A 15 12.460 -4.682 -11.801 1.00 0.00 H new ATOM 200 N GLY A 16 8.497 -5.329 -3.162 1.00 0.00 N ATOM 201 CA GLY A 16 8.115 -5.564 -1.782 1.00 0.00 C ATOM 202 C GLY A 16 7.222 -4.468 -1.233 1.00 0.00 C ATOM 203 O GLY A 16 6.379 -4.718 -0.371 1.00 0.00 O ATOM 0 H GLY A 16 7.760 -5.499 -3.846 1.00 0.00 H new ATOM 0 HA2 GLY A 16 7.598 -6.521 -1.709 1.00 0.00 H new ATOM 0 HA3 GLY A 16 9.012 -5.639 -1.168 1.00 0.00 H new ATOM 207 N CYS A 17 7.410 -3.251 -1.731 1.00 0.00 N ATOM 208 CA CYS A 17 6.617 -2.111 -1.284 1.00 0.00 C ATOM 209 C CYS A 17 5.351 -1.968 -2.122 1.00 0.00 C ATOM 210 O CYS A 17 4.247 -2.247 -1.652 1.00 0.00 O ATOM 211 CB CYS A 17 7.443 -0.826 -1.364 1.00 0.00 C ATOM 212 SG CYS A 17 7.095 0.366 -0.032 1.00 0.00 S ATOM 0 H CYS A 17 8.104 -3.028 -2.444 1.00 0.00 H new ATOM 0 HA CYS A 17 6.328 -2.285 -0.248 1.00 0.00 H new ATOM 0 HB2 CYS A 17 8.501 -1.085 -1.338 1.00 0.00 H new ATOM 0 HB3 CYS A 17 7.256 -0.346 -2.325 1.00 0.00 H new ATOM 0 HG CYS A 17 7.309 1.573 -0.463 1.00 0.00 H new ATOM 217 N GLY A 18 5.516 -1.530 -3.366 1.00 0.00 N ATOM 218 CA GLY A 18 4.378 -1.357 -4.250 1.00 0.00 C ATOM 219 C GLY A 18 3.226 -0.640 -3.577 1.00 0.00 C ATOM 220 O GLY A 18 2.085 -0.719 -4.034 1.00 0.00 O ATOM 0 H GLY A 18 6.418 -1.292 -3.778 1.00 0.00 H new ATOM 0 HA2 GLY A 18 4.688 -0.794 -5.130 1.00 0.00 H new ATOM 0 HA3 GLY A 18 4.041 -2.333 -4.598 1.00 0.00 H new ATOM 224 N GLN A 19 3.521 0.061 -2.487 1.00 0.00 N ATOM 225 CA GLN A 19 2.500 0.793 -1.749 1.00 0.00 C ATOM 226 C GLN A 19 2.743 2.296 -1.827 1.00 0.00 C ATOM 227 O GLN A 19 3.790 2.742 -2.299 1.00 0.00 O ATOM 228 CB GLN A 19 2.476 0.344 -0.287 1.00 0.00 C ATOM 229 CG GLN A 19 2.070 -1.110 -0.103 1.00 0.00 C ATOM 230 CD GLN A 19 0.640 -1.261 0.371 1.00 0.00 C ATOM 231 OE1 GLN A 19 0.307 -0.904 1.501 1.00 0.00 O ATOM 232 NE2 GLN A 19 -0.219 -1.793 -0.492 1.00 0.00 N ATOM 0 H GLN A 19 4.460 0.137 -2.096 1.00 0.00 H new ATOM 0 HA GLN A 19 1.534 0.576 -2.205 1.00 0.00 H new ATOM 0 HB2 GLN A 19 3.465 0.494 0.147 1.00 0.00 H new ATOM 0 HB3 GLN A 19 1.785 0.978 0.268 1.00 0.00 H new ATOM 0 HG2 GLN A 19 2.193 -1.640 -1.048 1.00 0.00 H new ATOM 0 HG3 GLN A 19 2.739 -1.582 0.617 1.00 0.00 H new ATOM 0 HE21 GLN A 19 0.099 -2.076 -1.419 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -1.196 -1.919 -0.227 1.00 0.00 H new ATOM 241 N ARG A 20 1.771 3.074 -1.362 1.00 0.00 N ATOM 242 CA ARG A 20 1.879 4.527 -1.381 1.00 0.00 C ATOM 243 C ARG A 20 2.852 5.014 -0.311 1.00 0.00 C ATOM 244 O ARG A 20 3.361 4.225 0.486 1.00 0.00 O ATOM 245 CB ARG A 20 0.505 5.165 -1.164 1.00 0.00 C ATOM 246 CG ARG A 20 -0.446 4.973 -2.333 1.00 0.00 C ATOM 247 CD ARG A 20 -0.297 6.082 -3.362 1.00 0.00 C ATOM 248 NE ARG A 20 -1.511 6.263 -4.153 1.00 0.00 N ATOM 249 CZ ARG A 20 -1.959 5.369 -5.027 1.00 0.00 C ATOM 250 NH1 ARG A 20 -1.294 4.238 -5.222 1.00 0.00 N ATOM 251 NH2 ARG A 20 -3.071 5.606 -5.709 1.00 0.00 N ATOM 0 H ARG A 20 0.899 2.721 -0.967 1.00 0.00 H new ATOM 0 HA ARG A 20 2.260 4.825 -2.358 1.00 0.00 H new ATOM 0 HB2 ARG A 20 0.054 4.741 -0.267 1.00 0.00 H new ATOM 0 HB3 ARG A 20 0.634 6.232 -0.983 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -0.254 4.009 -2.805 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -1.473 4.950 -1.968 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -0.052 7.016 -2.856 1.00 0.00 H new ATOM 0 HD3 ARG A 20 0.537 5.851 -4.025 1.00 0.00 H new ATOM 0 HE ARG A 20 -2.044 7.123 -4.027 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -0.437 4.054 -4.700 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -1.640 3.553 -5.894 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -3.583 6.476 -5.563 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -3.414 4.919 -6.380 1.00 0.00 H new ATOM 265 N PHE A 21 3.108 6.318 -0.301 1.00 0.00 N ATOM 266 CA PHE A 21 4.023 6.910 0.669 1.00 0.00 C ATOM 267 C PHE A 21 4.002 8.433 0.577 1.00 0.00 C ATOM 268 O PHE A 21 3.493 9.000 -0.390 1.00 0.00 O ATOM 269 CB PHE A 21 5.444 6.394 0.443 1.00 0.00 C ATOM 270 CG PHE A 21 6.103 6.967 -0.779 1.00 0.00 C ATOM 271 CD1 PHE A 21 5.920 6.381 -2.021 1.00 0.00 C ATOM 272 CD2 PHE A 21 6.905 8.094 -0.686 1.00 0.00 C ATOM 273 CE1 PHE A 21 6.526 6.906 -3.147 1.00 0.00 C ATOM 274 CE2 PHE A 21 7.512 8.624 -1.808 1.00 0.00 C ATOM 275 CZ PHE A 21 7.323 8.030 -3.040 1.00 0.00 C ATOM 0 H PHE A 21 2.695 6.985 -0.953 1.00 0.00 H new ATOM 0 HA PHE A 21 3.693 6.619 1.666 1.00 0.00 H new ATOM 0 HB2 PHE A 21 6.051 6.630 1.317 1.00 0.00 H new ATOM 0 HB3 PHE A 21 5.418 5.308 0.356 1.00 0.00 H new ATOM 0 HD1 PHE A 21 5.297 5.504 -2.110 1.00 0.00 H new ATOM 0 HD2 PHE A 21 7.057 8.563 0.275 1.00 0.00 H new ATOM 0 HE1 PHE A 21 6.377 6.438 -4.109 1.00 0.00 H new ATOM 0 HE2 PHE A 21 8.134 9.503 -1.722 1.00 0.00 H new ATOM 0 HZ PHE A 21 7.797 8.443 -3.918 1.00 0.00 H new ATOM 285 N ASP A 22 4.556 9.088 1.591 1.00 0.00 N ATOM 286 CA ASP A 22 4.602 10.545 1.626 1.00 0.00 C ATOM 287 C ASP A 22 6.035 11.047 1.477 1.00 0.00 C ATOM 288 O ASP A 22 6.924 10.703 2.257 1.00 0.00 O ATOM 289 CB ASP A 22 3.998 11.065 2.932 1.00 0.00 C ATOM 290 CG ASP A 22 2.794 10.258 3.375 1.00 0.00 C ATOM 291 OD1 ASP A 22 2.988 9.237 4.067 1.00 0.00 O ATOM 292 OD2 ASP A 22 1.659 10.647 3.029 1.00 0.00 O ATOM 0 H ASP A 22 4.980 8.633 2.400 1.00 0.00 H new ATOM 0 HA ASP A 22 4.015 10.923 0.789 1.00 0.00 H new ATOM 0 HB2 ASP A 22 4.756 11.040 3.715 1.00 0.00 H new ATOM 0 HB3 ASP A 22 3.706 12.107 2.804 1.00 0.00 H new ATOM 297 N PRO A 23 6.267 11.880 0.452 1.00 0.00 N ATOM 298 CA PRO A 23 7.590 12.447 0.177 1.00 0.00 C ATOM 299 C PRO A 23 8.016 13.466 1.228 1.00 0.00 C ATOM 300 O PRO A 23 9.181 13.517 1.622 1.00 0.00 O ATOM 301 CB PRO A 23 7.410 13.126 -1.183 1.00 0.00 C ATOM 302 CG PRO A 23 5.955 13.437 -1.261 1.00 0.00 C ATOM 303 CD PRO A 23 5.255 12.333 -0.517 1.00 0.00 C ATOM 0 HA PRO A 23 8.369 11.685 0.189 1.00 0.00 H new ATOM 0 HB2 PRO A 23 8.013 14.031 -1.257 1.00 0.00 H new ATOM 0 HB3 PRO A 23 7.719 12.470 -1.997 1.00 0.00 H new ATOM 0 HG2 PRO A 23 5.739 14.407 -0.814 1.00 0.00 H new ATOM 0 HG3 PRO A 23 5.621 13.482 -2.297 1.00 0.00 H new ATOM 0 HD2 PRO A 23 4.354 12.692 -0.019 1.00 0.00 H new ATOM 0 HD3 PRO A 23 4.950 11.528 -1.186 1.00 0.00 H new ATOM 311 N GLU A 24 7.062 14.276 1.680 1.00 0.00 N ATOM 312 CA GLU A 24 7.339 15.294 2.686 1.00 0.00 C ATOM 313 C GLU A 24 8.069 14.692 3.883 1.00 0.00 C ATOM 314 O GLU A 24 8.679 15.408 4.679 1.00 0.00 O ATOM 315 CB GLU A 24 6.038 15.954 3.148 1.00 0.00 C ATOM 316 CG GLU A 24 5.183 15.062 4.032 1.00 0.00 C ATOM 317 CD GLU A 24 4.051 15.816 4.702 1.00 0.00 C ATOM 318 OE1 GLU A 24 3.580 16.816 4.120 1.00 0.00 O ATOM 319 OE2 GLU A 24 3.639 15.409 5.807 1.00 0.00 O ATOM 0 H GLU A 24 6.092 14.246 1.365 1.00 0.00 H new ATOM 0 HA GLU A 24 7.981 16.050 2.233 1.00 0.00 H new ATOM 0 HB2 GLU A 24 6.277 16.868 3.692 1.00 0.00 H new ATOM 0 HB3 GLU A 24 5.458 16.247 2.273 1.00 0.00 H new ATOM 0 HG2 GLU A 24 4.769 14.252 3.432 1.00 0.00 H new ATOM 0 HG3 GLU A 24 5.812 14.604 4.796 1.00 0.00 H new ATOM 326 N THR A 25 8.003 13.370 4.005 1.00 0.00 N ATOM 327 CA THR A 25 8.655 12.670 5.105 1.00 0.00 C ATOM 328 C THR A 25 9.556 11.554 4.589 1.00 0.00 C ATOM 329 O THR A 25 10.526 11.174 5.243 1.00 0.00 O ATOM 330 CB THR A 25 7.625 12.072 6.081 1.00 0.00 C ATOM 331 OG1 THR A 25 8.150 10.884 6.682 1.00 0.00 O ATOM 332 CG2 THR A 25 6.323 11.750 5.362 1.00 0.00 C ATOM 0 H THR A 25 7.504 12.762 3.355 1.00 0.00 H new ATOM 0 HA THR A 25 9.259 13.407 5.634 1.00 0.00 H new ATOM 0 HB THR A 25 7.421 12.810 6.857 1.00 0.00 H new ATOM 0 HG1 THR A 25 7.489 10.512 7.302 1.00 0.00 H new ATOM 0 HG21 THR A 25 5.610 11.329 6.071 1.00 0.00 H new ATOM 0 HG22 THR A 25 5.910 12.662 4.931 1.00 0.00 H new ATOM 0 HG23 THR A 25 6.515 11.028 4.568 1.00 0.00 H new ATOM 340 N ASN A 26 9.229 11.032 3.411 1.00 0.00 N ATOM 341 CA ASN A 26 10.010 9.959 2.807 1.00 0.00 C ATOM 342 C ASN A 26 11.503 10.183 3.025 1.00 0.00 C ATOM 343 O ASN A 26 12.024 11.267 2.762 1.00 0.00 O ATOM 344 CB ASN A 26 9.712 9.863 1.309 1.00 0.00 C ATOM 345 CG ASN A 26 10.261 8.593 0.690 1.00 0.00 C ATOM 346 OD1 ASN A 26 10.671 7.672 1.396 1.00 0.00 O ATOM 347 ND2 ASN A 26 10.271 8.538 -0.637 1.00 0.00 N ATOM 0 H ASN A 26 8.429 11.335 2.856 1.00 0.00 H new ATOM 0 HA ASN A 26 9.726 9.023 3.288 1.00 0.00 H new ATOM 0 HB2 ASN A 26 8.634 9.903 1.153 1.00 0.00 H new ATOM 0 HB3 ASN A 26 10.141 10.726 0.800 1.00 0.00 H new ATOM 0 HD21 ASN A 26 10.629 7.708 -1.110 1.00 0.00 H new ATOM 0 HD22 ASN A 26 9.921 9.325 -1.183 1.00 0.00 H new ATOM 354 N SER A 27 12.186 9.150 3.508 1.00 0.00 N ATOM 355 CA SER A 27 13.619 9.234 3.766 1.00 0.00 C ATOM 356 C SER A 27 14.337 7.989 3.255 1.00 0.00 C ATOM 357 O SER A 27 13.748 7.161 2.559 1.00 0.00 O ATOM 358 CB SER A 27 13.880 9.409 5.263 1.00 0.00 C ATOM 359 OG SER A 27 14.936 10.325 5.492 1.00 0.00 O ATOM 0 H SER A 27 11.770 8.245 3.729 1.00 0.00 H new ATOM 0 HA SER A 27 14.009 10.101 3.233 1.00 0.00 H new ATOM 0 HB2 SER A 27 12.974 9.763 5.754 1.00 0.00 H new ATOM 0 HB3 SER A 27 14.128 8.445 5.707 1.00 0.00 H new ATOM 0 HG SER A 27 15.082 10.421 6.456 1.00 0.00 H new ATOM 365 N ASP A 28 15.612 7.863 3.605 1.00 0.00 N ATOM 366 CA ASP A 28 16.411 6.719 3.184 1.00 0.00 C ATOM 367 C ASP A 28 16.160 5.517 4.090 1.00 0.00 C ATOM 368 O ASP A 28 16.729 4.444 3.886 1.00 0.00 O ATOM 369 CB ASP A 28 17.899 7.078 3.193 1.00 0.00 C ATOM 370 CG ASP A 28 18.788 5.863 3.015 1.00 0.00 C ATOM 371 OD1 ASP A 28 18.779 5.277 1.912 1.00 0.00 O ATOM 372 OD2 ASP A 28 19.494 5.499 3.978 1.00 0.00 O ATOM 0 H ASP A 28 16.115 8.540 4.180 1.00 0.00 H new ATOM 0 HA ASP A 28 16.115 6.454 2.169 1.00 0.00 H new ATOM 0 HB2 ASP A 28 18.102 7.793 2.396 1.00 0.00 H new ATOM 0 HB3 ASP A 28 18.145 7.570 4.134 1.00 0.00 H new ATOM 377 N ASP A 29 15.306 5.705 5.090 1.00 0.00 N ATOM 378 CA ASP A 29 14.980 4.637 6.027 1.00 0.00 C ATOM 379 C ASP A 29 13.479 4.592 6.299 1.00 0.00 C ATOM 380 O ASP A 29 13.049 4.286 7.410 1.00 0.00 O ATOM 381 CB ASP A 29 15.743 4.829 7.339 1.00 0.00 C ATOM 382 CG ASP A 29 15.326 6.090 8.071 1.00 0.00 C ATOM 383 OD1 ASP A 29 15.542 7.192 7.524 1.00 0.00 O ATOM 384 OD2 ASP A 29 14.785 5.975 9.190 1.00 0.00 O ATOM 0 H ASP A 29 14.827 6.587 5.272 1.00 0.00 H new ATOM 0 HA ASP A 29 15.279 3.690 5.578 1.00 0.00 H new ATOM 0 HB2 ASP A 29 15.575 3.966 7.983 1.00 0.00 H new ATOM 0 HB3 ASP A 29 16.812 4.869 7.132 1.00 0.00 H new ATOM 389 N ALA A 30 12.688 4.900 5.276 1.00 0.00 N ATOM 390 CA ALA A 30 11.236 4.894 5.403 1.00 0.00 C ATOM 391 C ALA A 30 10.601 3.932 4.406 1.00 0.00 C ATOM 392 O ALA A 30 9.415 3.614 4.502 1.00 0.00 O ATOM 393 CB ALA A 30 10.684 6.298 5.210 1.00 0.00 C ATOM 0 H ALA A 30 13.029 5.157 4.350 1.00 0.00 H new ATOM 0 HA ALA A 30 10.986 4.552 6.407 1.00 0.00 H new ATOM 0 HB1 ALA A 30 9.599 6.279 5.307 1.00 0.00 H new ATOM 0 HB2 ALA A 30 11.104 6.961 5.966 1.00 0.00 H new ATOM 0 HB3 ALA A 30 10.953 6.661 4.218 1.00 0.00 H new ATOM 399 N CYS A 31 11.399 3.470 3.447 1.00 0.00 N ATOM 400 CA CYS A 31 10.914 2.544 2.430 1.00 0.00 C ATOM 401 C CYS A 31 11.646 1.208 2.518 1.00 0.00 C ATOM 402 O CYS A 31 12.873 1.153 2.437 1.00 0.00 O ATOM 403 CB CYS A 31 11.094 3.147 1.035 1.00 0.00 C ATOM 404 SG CYS A 31 10.580 2.045 -0.322 1.00 0.00 S ATOM 0 H CYS A 31 12.383 3.722 3.354 1.00 0.00 H new ATOM 0 HA CYS A 31 9.853 2.369 2.609 1.00 0.00 H new ATOM 0 HB2 CYS A 31 10.522 4.073 0.974 1.00 0.00 H new ATOM 0 HB3 CYS A 31 12.143 3.411 0.897 1.00 0.00 H new ATOM 0 HG CYS A 31 9.389 1.584 -0.079 1.00 0.00 H new ATOM 409 N THR A 32 10.885 0.132 2.684 1.00 0.00 N ATOM 410 CA THR A 32 11.458 -1.204 2.783 1.00 0.00 C ATOM 411 C THR A 32 11.146 -2.031 1.541 1.00 0.00 C ATOM 412 O THR A 32 10.049 -2.569 1.402 1.00 0.00 O ATOM 413 CB THR A 32 10.938 -1.949 4.027 1.00 0.00 C ATOM 414 OG1 THR A 32 10.653 -1.014 5.074 1.00 0.00 O ATOM 415 CG2 THR A 32 11.955 -2.968 4.513 1.00 0.00 C ATOM 0 H THR A 32 9.868 0.160 2.753 1.00 0.00 H new ATOM 0 HA THR A 32 12.537 -1.078 2.870 1.00 0.00 H new ATOM 0 HB THR A 32 10.024 -2.476 3.752 1.00 0.00 H new ATOM 0 HG1 THR A 32 10.321 -1.495 5.861 1.00 0.00 H new ATOM 0 HG21 THR A 32 11.565 -3.481 5.392 1.00 0.00 H new ATOM 0 HG22 THR A 32 12.147 -3.695 3.724 1.00 0.00 H new ATOM 0 HG23 THR A 32 12.884 -2.460 4.772 1.00 0.00 H new ATOM 423 N TYR A 33 12.119 -2.129 0.642 1.00 0.00 N ATOM 424 CA TYR A 33 11.948 -2.889 -0.590 1.00 0.00 C ATOM 425 C TYR A 33 13.080 -3.896 -0.771 1.00 0.00 C ATOM 426 O TYR A 33 13.936 -4.048 0.100 1.00 0.00 O ATOM 427 CB TYR A 33 11.892 -1.946 -1.793 1.00 0.00 C ATOM 428 CG TYR A 33 13.153 -1.134 -1.985 1.00 0.00 C ATOM 429 CD1 TYR A 33 13.341 0.063 -1.306 1.00 0.00 C ATOM 430 CD2 TYR A 33 14.156 -1.565 -2.844 1.00 0.00 C ATOM 431 CE1 TYR A 33 14.491 0.809 -1.479 1.00 0.00 C ATOM 432 CE2 TYR A 33 15.311 -0.827 -3.022 1.00 0.00 C ATOM 433 CZ TYR A 33 15.473 0.359 -2.337 1.00 0.00 C ATOM 434 OH TYR A 33 16.622 1.098 -2.511 1.00 0.00 O ATOM 0 H TYR A 33 13.035 -1.691 0.744 1.00 0.00 H new ATOM 0 HA TYR A 33 11.007 -3.436 -0.522 1.00 0.00 H new ATOM 0 HB2 TYR A 33 11.706 -2.531 -2.694 1.00 0.00 H new ATOM 0 HB3 TYR A 33 11.048 -1.267 -1.673 1.00 0.00 H new ATOM 0 HD1 TYR A 33 12.575 0.417 -0.631 1.00 0.00 H new ATOM 0 HD2 TYR A 33 14.031 -2.493 -3.382 1.00 0.00 H new ATOM 0 HE1 TYR A 33 14.620 1.739 -0.946 1.00 0.00 H new ATOM 0 HE2 TYR A 33 16.082 -1.177 -3.693 1.00 0.00 H new ATOM 0 HH TYR A 33 17.211 0.641 -3.147 1.00 0.00 H new ATOM 444 N HIS A 34 13.074 -4.583 -1.909 1.00 0.00 N ATOM 445 CA HIS A 34 14.101 -5.576 -2.207 1.00 0.00 C ATOM 446 C HIS A 34 14.870 -5.200 -3.470 1.00 0.00 C ATOM 447 O HIS A 34 14.330 -5.194 -4.576 1.00 0.00 O ATOM 448 CB HIS A 34 13.470 -6.959 -2.372 1.00 0.00 C ATOM 449 CG HIS A 34 12.928 -7.526 -1.096 1.00 0.00 C ATOM 450 ND1 HIS A 34 13.727 -7.878 -0.029 1.00 0.00 N ATOM 451 CD2 HIS A 34 11.657 -7.800 -0.718 1.00 0.00 C ATOM 452 CE1 HIS A 34 12.972 -8.345 0.949 1.00 0.00 C ATOM 453 NE2 HIS A 34 11.712 -8.308 0.556 1.00 0.00 N ATOM 0 H HIS A 34 12.371 -4.471 -2.639 1.00 0.00 H new ATOM 0 HA HIS A 34 14.801 -5.602 -1.371 1.00 0.00 H new ATOM 0 HB2 HIS A 34 12.664 -6.897 -3.103 1.00 0.00 H new ATOM 0 HB3 HIS A 34 14.216 -7.644 -2.776 1.00 0.00 H new ATOM 0 HD1 HIS A 34 14.743 -7.791 0.001 1.00 0.00 H new ATOM 0 HD2 HIS A 34 10.766 -7.647 -1.309 1.00 0.00 H new ATOM 0 HE1 HIS A 34 13.325 -8.697 1.907 1.00 0.00 H new ATOM 461 N PRO A 35 16.161 -4.879 -3.304 1.00 0.00 N ATOM 462 CA PRO A 35 17.031 -4.496 -4.420 1.00 0.00 C ATOM 463 C PRO A 35 17.341 -5.670 -5.343 1.00 0.00 C ATOM 464 O PRO A 35 18.105 -5.536 -6.298 1.00 0.00 O ATOM 465 CB PRO A 35 18.306 -4.011 -3.725 1.00 0.00 C ATOM 466 CG PRO A 35 18.314 -4.716 -2.413 1.00 0.00 C ATOM 467 CD PRO A 35 16.872 -4.864 -2.014 1.00 0.00 C ATOM 0 HA PRO A 35 16.566 -3.746 -5.060 1.00 0.00 H new ATOM 0 HB2 PRO A 35 19.193 -4.254 -4.310 1.00 0.00 H new ATOM 0 HB3 PRO A 35 18.298 -2.929 -3.593 1.00 0.00 H new ATOM 0 HG2 PRO A 35 18.798 -5.689 -2.496 1.00 0.00 H new ATOM 0 HG3 PRO A 35 18.869 -4.147 -1.667 1.00 0.00 H new ATOM 0 HD2 PRO A 35 16.703 -5.782 -1.451 1.00 0.00 H new ATOM 0 HD3 PRO A 35 16.543 -4.038 -1.383 1.00 0.00 H new ATOM 475 N GLY A 36 16.743 -6.820 -5.051 1.00 0.00 N ATOM 476 CA GLY A 36 16.966 -8.001 -5.864 1.00 0.00 C ATOM 477 C GLY A 36 15.771 -8.344 -6.730 1.00 0.00 C ATOM 478 O GLY A 36 15.019 -7.461 -7.143 1.00 0.00 O ATOM 0 H GLY A 36 16.107 -6.955 -4.265 1.00 0.00 H new ATOM 0 HA2 GLY A 36 17.837 -7.841 -6.499 1.00 0.00 H new ATOM 0 HA3 GLY A 36 17.195 -8.847 -5.215 1.00 0.00 H new ATOM 482 N VAL A 37 15.594 -9.632 -7.008 1.00 0.00 N ATOM 483 CA VAL A 37 14.481 -10.090 -7.831 1.00 0.00 C ATOM 484 C VAL A 37 13.837 -11.339 -7.239 1.00 0.00 C ATOM 485 O VAL A 37 14.464 -12.102 -6.504 1.00 0.00 O ATOM 486 CB VAL A 37 14.936 -10.395 -9.271 1.00 0.00 C ATOM 487 CG1 VAL A 37 14.802 -9.158 -10.146 1.00 0.00 C ATOM 488 CG2 VAL A 37 16.368 -10.911 -9.279 1.00 0.00 C ATOM 0 H VAL A 37 16.207 -10.376 -6.675 1.00 0.00 H new ATOM 0 HA VAL A 37 13.750 -9.282 -7.852 1.00 0.00 H new ATOM 0 HB VAL A 37 14.291 -11.173 -9.681 1.00 0.00 H new ATOM 0 HG11 VAL A 37 15.128 -9.392 -11.159 1.00 0.00 H new ATOM 0 HG12 VAL A 37 13.761 -8.837 -10.165 1.00 0.00 H new ATOM 0 HG13 VAL A 37 15.421 -8.357 -9.742 1.00 0.00 H new ATOM 0 HG21 VAL A 37 16.673 -11.121 -10.304 1.00 0.00 H new ATOM 0 HG22 VAL A 37 17.029 -10.157 -8.851 1.00 0.00 H new ATOM 0 HG23 VAL A 37 16.429 -11.825 -8.688 1.00 0.00 H new ATOM 498 N PRO A 38 12.554 -11.554 -7.565 1.00 0.00 N ATOM 499 CA PRO A 38 11.796 -12.710 -7.077 1.00 0.00 C ATOM 500 C PRO A 38 12.275 -14.020 -7.695 1.00 0.00 C ATOM 501 O PRO A 38 12.021 -14.294 -8.867 1.00 0.00 O ATOM 502 CB PRO A 38 10.361 -12.405 -7.515 1.00 0.00 C ATOM 503 CG PRO A 38 10.510 -11.504 -8.693 1.00 0.00 C ATOM 504 CD PRO A 38 11.744 -10.686 -8.436 1.00 0.00 C ATOM 0 HA PRO A 38 11.908 -12.846 -6.001 1.00 0.00 H new ATOM 0 HB2 PRO A 38 9.825 -13.317 -7.779 1.00 0.00 H new ATOM 0 HB3 PRO A 38 9.797 -11.923 -6.716 1.00 0.00 H new ATOM 0 HG2 PRO A 38 10.608 -12.079 -9.614 1.00 0.00 H new ATOM 0 HG3 PRO A 38 9.635 -10.864 -8.808 1.00 0.00 H new ATOM 0 HD2 PRO A 38 12.267 -10.446 -9.362 1.00 0.00 H new ATOM 0 HD3 PRO A 38 11.505 -9.740 -7.950 1.00 0.00 H new ATOM 512 N VAL A 39 12.969 -14.826 -6.897 1.00 0.00 N ATOM 513 CA VAL A 39 13.481 -16.108 -7.365 1.00 0.00 C ATOM 514 C VAL A 39 12.633 -17.262 -6.845 1.00 0.00 C ATOM 515 O VAL A 39 11.984 -17.151 -5.804 1.00 0.00 O ATOM 516 CB VAL A 39 14.943 -16.321 -6.928 1.00 0.00 C ATOM 517 CG1 VAL A 39 15.171 -15.756 -5.535 1.00 0.00 C ATOM 518 CG2 VAL A 39 15.303 -17.798 -6.978 1.00 0.00 C ATOM 0 H VAL A 39 13.189 -14.613 -5.924 1.00 0.00 H new ATOM 0 HA VAL A 39 13.434 -16.089 -8.454 1.00 0.00 H new ATOM 0 HB VAL A 39 15.593 -15.788 -7.621 1.00 0.00 H new ATOM 0 HG11 VAL A 39 16.209 -15.916 -5.243 1.00 0.00 H new ATOM 0 HG12 VAL A 39 14.954 -14.688 -5.536 1.00 0.00 H new ATOM 0 HG13 VAL A 39 14.513 -16.259 -4.826 1.00 0.00 H new ATOM 0 HG21 VAL A 39 16.339 -17.931 -6.666 1.00 0.00 H new ATOM 0 HG22 VAL A 39 14.648 -18.355 -6.308 1.00 0.00 H new ATOM 0 HG23 VAL A 39 15.180 -18.168 -7.996 1.00 0.00 H new ATOM 528 N PHE A 40 12.642 -18.372 -7.575 1.00 0.00 N ATOM 529 CA PHE A 40 11.872 -19.549 -7.188 1.00 0.00 C ATOM 530 C PHE A 40 12.694 -20.821 -7.372 1.00 0.00 C ATOM 531 O PHE A 40 12.757 -21.380 -8.467 1.00 0.00 O ATOM 532 CB PHE A 40 10.585 -19.636 -8.011 1.00 0.00 C ATOM 533 CG PHE A 40 10.059 -18.298 -8.444 1.00 0.00 C ATOM 534 CD1 PHE A 40 9.646 -17.365 -7.506 1.00 0.00 C ATOM 535 CD2 PHE A 40 9.976 -17.974 -9.788 1.00 0.00 C ATOM 536 CE1 PHE A 40 9.161 -16.132 -7.901 1.00 0.00 C ATOM 537 CE2 PHE A 40 9.491 -16.743 -10.189 1.00 0.00 C ATOM 538 CZ PHE A 40 9.082 -15.821 -9.245 1.00 0.00 C ATOM 0 H PHE A 40 13.174 -18.482 -8.438 1.00 0.00 H new ATOM 0 HA PHE A 40 11.614 -19.453 -6.133 1.00 0.00 H new ATOM 0 HB2 PHE A 40 10.768 -20.248 -8.894 1.00 0.00 H new ATOM 0 HB3 PHE A 40 9.821 -20.145 -7.423 1.00 0.00 H new ATOM 0 HD1 PHE A 40 9.704 -17.604 -6.454 1.00 0.00 H new ATOM 0 HD2 PHE A 40 10.294 -18.691 -10.531 1.00 0.00 H new ATOM 0 HE1 PHE A 40 8.844 -15.413 -7.160 1.00 0.00 H new ATOM 0 HE2 PHE A 40 9.432 -16.502 -11.240 1.00 0.00 H new ATOM 0 HZ PHE A 40 8.701 -14.860 -9.557 1.00 0.00 H new ATOM 548 N HIS A 41 13.323 -21.273 -6.291 1.00 0.00 N ATOM 549 CA HIS A 41 14.141 -22.480 -6.332 1.00 0.00 C ATOM 550 C HIS A 41 13.649 -23.506 -5.316 1.00 0.00 C ATOM 551 O HIS A 41 13.427 -23.181 -4.149 1.00 0.00 O ATOM 552 CB HIS A 41 15.606 -22.137 -6.059 1.00 0.00 C ATOM 553 CG HIS A 41 15.823 -21.421 -4.761 1.00 0.00 C ATOM 554 ND1 HIS A 41 16.671 -21.883 -3.778 1.00 0.00 N ATOM 555 CD2 HIS A 41 15.295 -20.268 -4.289 1.00 0.00 C ATOM 556 CE1 HIS A 41 16.656 -21.047 -2.756 1.00 0.00 C ATOM 557 NE2 HIS A 41 15.828 -20.057 -3.041 1.00 0.00 N ATOM 0 H HIS A 41 13.282 -20.822 -5.377 1.00 0.00 H new ATOM 0 HA HIS A 41 14.056 -22.913 -7.329 1.00 0.00 H new ATOM 0 HB2 HIS A 41 16.192 -23.056 -6.060 1.00 0.00 H new ATOM 0 HB3 HIS A 41 15.983 -21.518 -6.873 1.00 0.00 H new ATOM 0 HD1 HIS A 41 17.224 -22.738 -3.832 1.00 0.00 H new ATOM 0 HD2 HIS A 41 14.586 -19.632 -4.799 1.00 0.00 H new ATOM 0 HE1 HIS A 41 17.223 -21.154 -1.843 1.00 0.00 H new ATOM 565 N ASP A 42 13.479 -24.744 -5.767 1.00 0.00 N ATOM 566 CA ASP A 42 13.012 -25.817 -4.897 1.00 0.00 C ATOM 567 C ASP A 42 11.715 -25.425 -4.198 1.00 0.00 C ATOM 568 O ASP A 42 11.531 -25.693 -3.011 1.00 0.00 O ATOM 569 CB ASP A 42 14.082 -26.162 -3.858 1.00 0.00 C ATOM 570 CG ASP A 42 15.451 -26.349 -4.479 1.00 0.00 C ATOM 571 OD1 ASP A 42 15.921 -25.422 -5.170 1.00 0.00 O ATOM 572 OD2 ASP A 42 16.055 -27.424 -4.273 1.00 0.00 O ATOM 0 H ASP A 42 13.658 -25.029 -6.730 1.00 0.00 H new ATOM 0 HA ASP A 42 12.819 -26.694 -5.515 1.00 0.00 H new ATOM 0 HB2 ASP A 42 14.130 -25.368 -3.112 1.00 0.00 H new ATOM 0 HB3 ASP A 42 13.796 -27.074 -3.335 1.00 0.00 H new ATOM 577 N ALA A 43 10.816 -24.788 -4.943 1.00 0.00 N ATOM 578 CA ALA A 43 9.535 -24.359 -4.395 1.00 0.00 C ATOM 579 C ALA A 43 9.724 -23.263 -3.352 1.00 0.00 C ATOM 580 O ALA A 43 8.781 -22.890 -2.652 1.00 0.00 O ATOM 581 CB ALA A 43 8.797 -25.544 -3.791 1.00 0.00 C ATOM 0 H ALA A 43 10.952 -24.558 -5.927 1.00 0.00 H new ATOM 0 HA ALA A 43 8.937 -23.950 -5.209 1.00 0.00 H new ATOM 0 HB1 ALA A 43 7.842 -25.210 -3.385 1.00 0.00 H new ATOM 0 HB2 ALA A 43 8.621 -26.294 -4.562 1.00 0.00 H new ATOM 0 HB3 ALA A 43 9.398 -25.978 -2.992 1.00 0.00 H new ATOM 587 N LEU A 44 10.945 -22.751 -3.252 1.00 0.00 N ATOM 588 CA LEU A 44 11.257 -21.697 -2.292 1.00 0.00 C ATOM 589 C LEU A 44 11.320 -20.337 -2.979 1.00 0.00 C ATOM 590 O LEU A 44 12.355 -19.952 -3.525 1.00 0.00 O ATOM 591 CB LEU A 44 12.587 -21.992 -1.596 1.00 0.00 C ATOM 592 CG LEU A 44 12.839 -23.453 -1.220 1.00 0.00 C ATOM 593 CD1 LEU A 44 14.271 -23.642 -0.743 1.00 0.00 C ATOM 594 CD2 LEU A 44 11.854 -23.906 -0.152 1.00 0.00 C ATOM 0 H LEU A 44 11.736 -23.048 -3.824 1.00 0.00 H new ATOM 0 HA LEU A 44 10.462 -21.671 -1.547 1.00 0.00 H new ATOM 0 HB2 LEU A 44 13.396 -21.661 -2.247 1.00 0.00 H new ATOM 0 HB3 LEU A 44 12.641 -21.390 -0.689 1.00 0.00 H new ATOM 0 HG LEU A 44 12.690 -24.068 -2.107 1.00 0.00 H new ATOM 0 HD11 LEU A 44 14.432 -24.687 -0.480 1.00 0.00 H new ATOM 0 HD12 LEU A 44 14.960 -23.358 -1.538 1.00 0.00 H new ATOM 0 HD13 LEU A 44 14.449 -23.016 0.132 1.00 0.00 H new ATOM 0 HD21 LEU A 44 12.048 -24.948 0.103 1.00 0.00 H new ATOM 0 HD22 LEU A 44 11.971 -23.287 0.737 1.00 0.00 H new ATOM 0 HD23 LEU A 44 10.837 -23.809 -0.531 1.00 0.00 H new ATOM 606 N LYS A 45 10.208 -19.612 -2.948 1.00 0.00 N ATOM 607 CA LYS A 45 10.135 -18.292 -3.564 1.00 0.00 C ATOM 608 C LYS A 45 10.743 -17.232 -2.651 1.00 0.00 C ATOM 609 O LYS A 45 10.257 -16.999 -1.545 1.00 0.00 O ATOM 610 CB LYS A 45 8.682 -17.934 -3.884 1.00 0.00 C ATOM 611 CG LYS A 45 7.969 -18.980 -4.722 1.00 0.00 C ATOM 612 CD LYS A 45 6.467 -18.752 -4.739 1.00 0.00 C ATOM 613 CE LYS A 45 5.724 -19.970 -5.264 1.00 0.00 C ATOM 614 NZ LYS A 45 4.444 -19.596 -5.928 1.00 0.00 N ATOM 0 H LYS A 45 9.343 -19.917 -2.502 1.00 0.00 H new ATOM 0 HA LYS A 45 10.707 -18.319 -4.491 1.00 0.00 H new ATOM 0 HB2 LYS A 45 8.137 -17.795 -2.950 1.00 0.00 H new ATOM 0 HB3 LYS A 45 8.659 -16.980 -4.412 1.00 0.00 H new ATOM 0 HG2 LYS A 45 8.353 -18.954 -5.742 1.00 0.00 H new ATOM 0 HG3 LYS A 45 8.183 -19.973 -4.326 1.00 0.00 H new ATOM 0 HD2 LYS A 45 6.122 -18.520 -3.731 1.00 0.00 H new ATOM 0 HD3 LYS A 45 6.236 -17.888 -5.362 1.00 0.00 H new ATOM 0 HE2 LYS A 45 6.358 -20.505 -5.972 1.00 0.00 H new ATOM 0 HE3 LYS A 45 5.519 -20.654 -4.440 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 3.736 -20.339 -5.760 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 4.100 -18.696 -5.537 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 4.601 -19.492 -6.951 1.00 0.00 H new ATOM 628 N GLY A 46 11.809 -16.591 -3.122 1.00 0.00 N ATOM 629 CA GLY A 46 12.462 -15.562 -2.335 1.00 0.00 C ATOM 630 C GLY A 46 13.081 -14.479 -3.197 1.00 0.00 C ATOM 631 O GLY A 46 12.601 -14.201 -4.296 1.00 0.00 O ATOM 0 H GLY A 46 12.231 -16.766 -4.034 1.00 0.00 H new ATOM 0 HA2 GLY A 46 11.737 -15.112 -1.657 1.00 0.00 H new ATOM 0 HA3 GLY A 46 13.236 -16.017 -1.717 1.00 0.00 H new ATOM 635 N TRP A 47 14.148 -13.866 -2.697 1.00 0.00 N ATOM 636 CA TRP A 47 14.832 -12.806 -3.429 1.00 0.00 C ATOM 637 C TRP A 47 16.344 -13.002 -3.385 1.00 0.00 C ATOM 638 O TRP A 47 16.886 -13.496 -2.396 1.00 0.00 O ATOM 639 CB TRP A 47 14.466 -11.439 -2.849 1.00 0.00 C ATOM 640 CG TRP A 47 12.990 -11.184 -2.816 1.00 0.00 C ATOM 641 CD1 TRP A 47 12.097 -11.653 -1.895 1.00 0.00 C ATOM 642 CD2 TRP A 47 12.234 -10.402 -3.747 1.00 0.00 C ATOM 643 NE1 TRP A 47 10.833 -11.209 -2.197 1.00 0.00 N ATOM 644 CE2 TRP A 47 10.889 -10.439 -3.328 1.00 0.00 C ATOM 645 CE3 TRP A 47 12.562 -9.672 -4.893 1.00 0.00 C ATOM 646 CZ2 TRP A 47 9.877 -9.775 -4.016 1.00 0.00 C ATOM 647 CZ3 TRP A 47 11.556 -9.014 -5.575 1.00 0.00 C ATOM 648 CH2 TRP A 47 10.227 -9.069 -5.134 1.00 0.00 C ATOM 0 H TRP A 47 14.558 -14.084 -1.789 1.00 0.00 H new ATOM 0 HA TRP A 47 14.509 -12.850 -4.469 1.00 0.00 H new ATOM 0 HB2 TRP A 47 14.863 -11.364 -1.837 1.00 0.00 H new ATOM 0 HB3 TRP A 47 14.949 -10.661 -3.440 1.00 0.00 H new ATOM 0 HD1 TRP A 47 12.348 -12.281 -1.053 1.00 0.00 H new ATOM 0 HE1 TRP A 47 9.989 -11.419 -1.665 1.00 0.00 H new ATOM 0 HE3 TRP A 47 13.584 -9.623 -5.239 1.00 0.00 H new ATOM 0 HZ2 TRP A 47 8.852 -9.816 -3.679 1.00 0.00 H new ATOM 0 HZ3 TRP A 47 11.798 -8.448 -6.462 1.00 0.00 H new ATOM 0 HH2 TRP A 47 9.464 -8.543 -5.688 1.00 0.00 H new ATOM 659 N SER A 48 17.020 -12.612 -4.461 1.00 0.00 N ATOM 660 CA SER A 48 18.469 -12.749 -4.546 1.00 0.00 C ATOM 661 C SER A 48 19.166 -11.644 -3.756 1.00 0.00 C ATOM 662 O SER A 48 20.382 -11.477 -3.842 1.00 0.00 O ATOM 663 CB SER A 48 18.921 -12.710 -6.007 1.00 0.00 C ATOM 664 OG SER A 48 20.292 -13.047 -6.124 1.00 0.00 O ATOM 0 H SER A 48 16.587 -12.198 -5.287 1.00 0.00 H new ATOM 0 HA SER A 48 18.745 -13.711 -4.113 1.00 0.00 H new ATOM 0 HB2 SER A 48 18.321 -13.404 -6.596 1.00 0.00 H new ATOM 0 HB3 SER A 48 18.751 -11.715 -6.417 1.00 0.00 H new ATOM 0 HG SER A 48 20.795 -12.631 -5.393 1.00 0.00 H new ATOM 670 N CYS A 49 18.384 -10.893 -2.987 1.00 0.00 N ATOM 671 CA CYS A 49 18.924 -9.804 -2.181 1.00 0.00 C ATOM 672 C CYS A 49 19.158 -10.256 -0.742 1.00 0.00 C ATOM 673 O CYS A 49 20.222 -10.020 -0.171 1.00 0.00 O ATOM 674 CB CYS A 49 17.972 -8.606 -2.204 1.00 0.00 C ATOM 675 SG CYS A 49 16.231 -9.033 -1.880 1.00 0.00 S ATOM 0 H CYS A 49 17.375 -11.018 -2.905 1.00 0.00 H new ATOM 0 HA CYS A 49 19.882 -9.507 -2.609 1.00 0.00 H new ATOM 0 HB2 CYS A 49 18.301 -7.880 -1.461 1.00 0.00 H new ATOM 0 HB3 CYS A 49 18.041 -8.120 -3.177 1.00 0.00 H new ATOM 0 HG CYS A 49 16.144 -9.673 -0.752 1.00 0.00 H new ATOM 680 N CYS A 50 18.154 -10.907 -0.162 1.00 0.00 N ATOM 681 CA CYS A 50 18.249 -11.392 1.209 1.00 0.00 C ATOM 682 C CYS A 50 18.247 -12.917 1.248 1.00 0.00 C ATOM 683 O CYS A 50 18.188 -13.576 0.209 1.00 0.00 O ATOM 684 CB CYS A 50 17.087 -10.849 2.045 1.00 0.00 C ATOM 685 SG CYS A 50 15.472 -10.914 1.205 1.00 0.00 S ATOM 0 H CYS A 50 17.266 -11.110 -0.621 1.00 0.00 H new ATOM 0 HA CYS A 50 19.190 -11.036 1.630 1.00 0.00 H new ATOM 0 HB2 CYS A 50 17.025 -11.417 2.973 1.00 0.00 H new ATOM 0 HB3 CYS A 50 17.301 -9.816 2.318 1.00 0.00 H new ATOM 0 HG CYS A 50 14.554 -10.435 1.991 1.00 0.00 H new ATOM 690 N LYS A 51 18.313 -13.473 2.453 1.00 0.00 N ATOM 691 CA LYS A 51 18.319 -14.920 2.629 1.00 0.00 C ATOM 692 C LYS A 51 16.906 -15.446 2.858 1.00 0.00 C ATOM 693 O LYS A 51 16.654 -16.647 2.755 1.00 0.00 O ATOM 694 CB LYS A 51 19.215 -15.308 3.808 1.00 0.00 C ATOM 695 CG LYS A 51 20.448 -14.432 3.947 1.00 0.00 C ATOM 696 CD LYS A 51 21.292 -14.844 5.142 1.00 0.00 C ATOM 697 CE LYS A 51 22.200 -16.018 4.807 1.00 0.00 C ATOM 698 NZ LYS A 51 23.332 -15.611 3.930 1.00 0.00 N ATOM 0 H LYS A 51 18.363 -12.943 3.323 1.00 0.00 H new ATOM 0 HA LYS A 51 18.713 -15.370 1.717 1.00 0.00 H new ATOM 0 HB2 LYS A 51 18.634 -15.253 4.729 1.00 0.00 H new ATOM 0 HB3 LYS A 51 19.528 -16.346 3.690 1.00 0.00 H new ATOM 0 HG2 LYS A 51 21.046 -14.497 3.038 1.00 0.00 H new ATOM 0 HG3 LYS A 51 20.145 -13.391 4.056 1.00 0.00 H new ATOM 0 HD2 LYS A 51 21.896 -13.998 5.471 1.00 0.00 H new ATOM 0 HD3 LYS A 51 20.640 -15.113 5.973 1.00 0.00 H new ATOM 0 HE2 LYS A 51 22.591 -16.449 5.729 1.00 0.00 H new ATOM 0 HE3 LYS A 51 21.619 -16.797 4.312 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 24.057 -16.357 3.930 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 22.985 -15.465 2.961 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 23.746 -14.726 4.286 1.00 0.00 H new ATOM 712 N ARG A 52 15.984 -14.539 3.169 1.00 0.00 N ATOM 713 CA ARG A 52 14.597 -14.911 3.412 1.00 0.00 C ATOM 714 C ARG A 52 14.073 -15.812 2.298 1.00 0.00 C ATOM 715 O ARG A 52 14.252 -15.523 1.115 1.00 0.00 O ATOM 716 CB ARG A 52 13.722 -13.661 3.524 1.00 0.00 C ATOM 717 CG ARG A 52 12.281 -13.957 3.902 1.00 0.00 C ATOM 718 CD ARG A 52 12.153 -14.311 5.376 1.00 0.00 C ATOM 719 NE ARG A 52 12.591 -15.677 5.651 1.00 0.00 N ATOM 720 CZ ARG A 52 11.844 -16.749 5.418 1.00 0.00 C ATOM 721 NH1 ARG A 52 10.626 -16.615 4.909 1.00 0.00 N ATOM 722 NH2 ARG A 52 12.312 -17.959 5.695 1.00 0.00 N ATOM 0 H ARG A 52 16.174 -13.541 3.258 1.00 0.00 H new ATOM 0 HA ARG A 52 14.555 -15.461 4.352 1.00 0.00 H new ATOM 0 HB2 ARG A 52 14.153 -12.992 4.268 1.00 0.00 H new ATOM 0 HB3 ARG A 52 13.737 -13.131 2.572 1.00 0.00 H new ATOM 0 HG2 ARG A 52 11.660 -13.089 3.680 1.00 0.00 H new ATOM 0 HG3 ARG A 52 11.906 -14.781 3.295 1.00 0.00 H new ATOM 0 HD2 ARG A 52 12.745 -13.614 5.969 1.00 0.00 H new ATOM 0 HD3 ARG A 52 11.115 -14.193 5.688 1.00 0.00 H new ATOM 0 HE ARG A 52 13.522 -15.815 6.044 1.00 0.00 H new ATOM 0 HH11 ARG A 52 10.262 -15.686 4.696 1.00 0.00 H new ATOM 0 HH12 ARG A 52 10.054 -17.441 4.731 1.00 0.00 H new ATOM 0 HH21 ARG A 52 13.247 -18.067 6.088 1.00 0.00 H new ATOM 0 HH22 ARG A 52 11.737 -18.782 5.515 1.00 0.00 H new ATOM 736 N ARG A 53 13.424 -16.906 2.684 1.00 0.00 N ATOM 737 CA ARG A 53 12.875 -17.850 1.718 1.00 0.00 C ATOM 738 C ARG A 53 11.623 -18.527 2.270 1.00 0.00 C ATOM 739 O ARG A 53 11.591 -18.951 3.426 1.00 0.00 O ATOM 740 CB ARG A 53 13.920 -18.906 1.355 1.00 0.00 C ATOM 741 CG ARG A 53 13.811 -19.405 -0.077 1.00 0.00 C ATOM 742 CD ARG A 53 14.540 -18.487 -1.044 1.00 0.00 C ATOM 743 NE ARG A 53 15.991 -18.624 -0.940 1.00 0.00 N ATOM 744 CZ ARG A 53 16.851 -17.831 -1.569 1.00 0.00 C ATOM 745 NH1 ARG A 53 16.410 -16.849 -2.342 1.00 0.00 N ATOM 746 NH2 ARG A 53 18.156 -18.019 -1.424 1.00 0.00 N ATOM 0 H ARG A 53 13.266 -17.160 3.659 1.00 0.00 H new ATOM 0 HA ARG A 53 12.602 -17.295 0.821 1.00 0.00 H new ATOM 0 HB2 ARG A 53 14.915 -18.489 1.510 1.00 0.00 H new ATOM 0 HB3 ARG A 53 13.820 -19.753 2.034 1.00 0.00 H new ATOM 0 HG2 ARG A 53 14.226 -20.411 -0.145 1.00 0.00 H new ATOM 0 HG3 ARG A 53 12.761 -19.474 -0.361 1.00 0.00 H new ATOM 0 HD2 ARG A 53 14.227 -18.712 -2.063 1.00 0.00 H new ATOM 0 HD3 ARG A 53 14.258 -17.453 -0.845 1.00 0.00 H new ATOM 0 HE ARG A 53 16.364 -19.369 -0.352 1.00 0.00 H new ATOM 0 HH11 ARG A 53 15.407 -16.700 -2.455 1.00 0.00 H new ATOM 0 HH12 ARG A 53 17.073 -16.242 -2.824 1.00 0.00 H new ATOM 0 HH21 ARG A 53 18.500 -18.773 -0.829 1.00 0.00 H new ATOM 0 HH22 ARG A 53 18.816 -17.410 -1.907 1.00 0.00 H new ATOM 760 N THR A 54 10.594 -18.625 1.436 1.00 0.00 N ATOM 761 CA THR A 54 9.339 -19.248 1.840 1.00 0.00 C ATOM 762 C THR A 54 8.741 -20.068 0.702 1.00 0.00 C ATOM 763 O THR A 54 9.005 -19.807 -0.472 1.00 0.00 O ATOM 764 CB THR A 54 8.311 -18.196 2.295 1.00 0.00 C ATOM 765 OG1 THR A 54 7.163 -18.844 2.858 1.00 0.00 O ATOM 766 CG2 THR A 54 7.882 -17.319 1.129 1.00 0.00 C ATOM 0 H THR A 54 10.604 -18.281 0.476 1.00 0.00 H new ATOM 0 HA THR A 54 9.568 -19.907 2.677 1.00 0.00 H new ATOM 0 HB THR A 54 8.780 -17.566 3.051 1.00 0.00 H new ATOM 0 HG1 THR A 54 6.859 -18.346 3.645 1.00 0.00 H new ATOM 0 HG21 THR A 54 7.156 -16.584 1.475 1.00 0.00 H new ATOM 0 HG22 THR A 54 8.752 -16.805 0.721 1.00 0.00 H new ATOM 0 HG23 THR A 54 7.430 -17.939 0.355 1.00 0.00 H new ATOM 774 N THR A 55 7.932 -21.062 1.057 1.00 0.00 N ATOM 775 CA THR A 55 7.297 -21.921 0.066 1.00 0.00 C ATOM 776 C THR A 55 5.853 -21.497 -0.185 1.00 0.00 C ATOM 777 O THR A 55 5.294 -21.764 -1.249 1.00 0.00 O ATOM 778 CB THR A 55 7.316 -23.397 0.506 1.00 0.00 C ATOM 779 OG1 THR A 55 6.707 -23.532 1.795 1.00 0.00 O ATOM 780 CG2 THR A 55 8.741 -23.928 0.554 1.00 0.00 C ATOM 0 H THR A 55 7.701 -21.291 2.024 1.00 0.00 H new ATOM 0 HA THR A 55 7.870 -21.817 -0.855 1.00 0.00 H new ATOM 0 HB THR A 55 6.752 -23.979 -0.224 1.00 0.00 H new ATOM 0 HG1 THR A 55 6.722 -24.473 2.067 1.00 0.00 H new ATOM 0 HG21 THR A 55 8.730 -24.972 0.867 1.00 0.00 H new ATOM 0 HG22 THR A 55 9.192 -23.851 -0.435 1.00 0.00 H new ATOM 0 HG23 THR A 55 9.324 -23.342 1.265 1.00 0.00 H new ATOM 788 N ASP A 56 5.257 -20.835 0.800 1.00 0.00 N ATOM 789 CA ASP A 56 3.878 -20.372 0.685 1.00 0.00 C ATOM 790 C ASP A 56 3.792 -19.142 -0.213 1.00 0.00 C ATOM 791 O ASP A 56 4.104 -18.029 0.209 1.00 0.00 O ATOM 792 CB ASP A 56 3.309 -20.051 2.068 1.00 0.00 C ATOM 793 CG ASP A 56 1.793 -20.032 2.080 1.00 0.00 C ATOM 794 OD1 ASP A 56 1.187 -20.479 1.084 1.00 0.00 O ATOM 795 OD2 ASP A 56 1.214 -19.570 3.085 1.00 0.00 O ATOM 0 H ASP A 56 5.706 -20.607 1.687 1.00 0.00 H new ATOM 0 HA ASP A 56 3.288 -21.170 0.235 1.00 0.00 H new ATOM 0 HB2 ASP A 56 3.666 -20.790 2.785 1.00 0.00 H new ATOM 0 HB3 ASP A 56 3.684 -19.082 2.396 1.00 0.00 H new ATOM 800 N PHE A 57 3.365 -19.352 -1.454 1.00 0.00 N ATOM 801 CA PHE A 57 3.240 -18.260 -2.413 1.00 0.00 C ATOM 802 C PHE A 57 2.750 -16.988 -1.728 1.00 0.00 C ATOM 803 O PHE A 57 3.224 -15.890 -2.021 1.00 0.00 O ATOM 804 CB PHE A 57 2.278 -18.650 -3.538 1.00 0.00 C ATOM 805 CG PHE A 57 1.924 -17.508 -4.446 1.00 0.00 C ATOM 806 CD1 PHE A 57 2.870 -16.552 -4.782 1.00 0.00 C ATOM 807 CD2 PHE A 57 0.644 -17.389 -4.964 1.00 0.00 C ATOM 808 CE1 PHE A 57 2.545 -15.500 -5.617 1.00 0.00 C ATOM 809 CE2 PHE A 57 0.314 -16.339 -5.800 1.00 0.00 C ATOM 810 CZ PHE A 57 1.266 -15.393 -6.126 1.00 0.00 C ATOM 0 H PHE A 57 3.100 -20.267 -1.819 1.00 0.00 H new ATOM 0 HA PHE A 57 4.225 -18.067 -2.837 1.00 0.00 H new ATOM 0 HB2 PHE A 57 2.727 -19.448 -4.129 1.00 0.00 H new ATOM 0 HB3 PHE A 57 1.364 -19.053 -3.101 1.00 0.00 H new ATOM 0 HD1 PHE A 57 3.872 -16.630 -4.387 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -0.104 -18.125 -4.711 1.00 0.00 H new ATOM 0 HE1 PHE A 57 3.291 -14.762 -5.871 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -0.687 -16.258 -6.198 1.00 0.00 H new ATOM 0 HZ PHE A 57 1.010 -14.571 -6.778 1.00 0.00 H new ATOM 820 N SER A 58 1.797 -17.145 -0.815 1.00 0.00 N ATOM 821 CA SER A 58 1.238 -16.009 -0.091 1.00 0.00 C ATOM 822 C SER A 58 2.299 -15.348 0.785 1.00 0.00 C ATOM 823 O SER A 58 2.469 -14.129 0.757 1.00 0.00 O ATOM 824 CB SER A 58 0.057 -16.458 0.772 1.00 0.00 C ATOM 825 OG SER A 58 -1.116 -16.611 -0.010 1.00 0.00 O ATOM 0 H SER A 58 1.396 -18.047 -0.559 1.00 0.00 H new ATOM 0 HA SER A 58 0.889 -15.280 -0.822 1.00 0.00 H new ATOM 0 HB2 SER A 58 0.298 -17.402 1.261 1.00 0.00 H new ATOM 0 HB3 SER A 58 -0.120 -15.727 1.561 1.00 0.00 H new ATOM 0 HG SER A 58 -1.856 -16.900 0.564 1.00 0.00 H new ATOM 831 N ASP A 59 3.007 -16.161 1.560 1.00 0.00 N ATOM 832 CA ASP A 59 4.051 -15.657 2.444 1.00 0.00 C ATOM 833 C ASP A 59 5.143 -14.951 1.646 1.00 0.00 C ATOM 834 O ASP A 59 5.663 -13.917 2.066 1.00 0.00 O ATOM 835 CB ASP A 59 4.656 -16.802 3.258 1.00 0.00 C ATOM 836 CG ASP A 59 3.646 -17.451 4.183 1.00 0.00 C ATOM 837 OD1 ASP A 59 2.653 -16.783 4.541 1.00 0.00 O ATOM 838 OD2 ASP A 59 3.847 -18.628 4.548 1.00 0.00 O ATOM 0 H ASP A 59 2.877 -17.172 1.594 1.00 0.00 H new ATOM 0 HA ASP A 59 3.600 -14.936 3.126 1.00 0.00 H new ATOM 0 HB2 ASP A 59 5.058 -17.554 2.579 1.00 0.00 H new ATOM 0 HB3 ASP A 59 5.492 -16.424 3.846 1.00 0.00 H new ATOM 843 N PHE A 60 5.488 -15.517 0.494 1.00 0.00 N ATOM 844 CA PHE A 60 6.521 -14.943 -0.361 1.00 0.00 C ATOM 845 C PHE A 60 6.236 -13.471 -0.643 1.00 0.00 C ATOM 846 O PHE A 60 7.135 -12.631 -0.584 1.00 0.00 O ATOM 847 CB PHE A 60 6.609 -15.718 -1.678 1.00 0.00 C ATOM 848 CG PHE A 60 7.062 -14.878 -2.838 1.00 0.00 C ATOM 849 CD1 PHE A 60 8.410 -14.630 -3.047 1.00 0.00 C ATOM 850 CD2 PHE A 60 6.141 -14.336 -3.719 1.00 0.00 C ATOM 851 CE1 PHE A 60 8.830 -13.858 -4.113 1.00 0.00 C ATOM 852 CE2 PHE A 60 6.556 -13.563 -4.787 1.00 0.00 C ATOM 853 CZ PHE A 60 7.901 -13.323 -4.984 1.00 0.00 C ATOM 0 H PHE A 60 5.067 -16.372 0.131 1.00 0.00 H new ATOM 0 HA PHE A 60 7.475 -15.017 0.162 1.00 0.00 H new ATOM 0 HB2 PHE A 60 7.298 -16.553 -1.554 1.00 0.00 H new ATOM 0 HB3 PHE A 60 5.631 -16.142 -1.907 1.00 0.00 H new ATOM 0 HD1 PHE A 60 9.140 -15.045 -2.368 1.00 0.00 H new ATOM 0 HD2 PHE A 60 5.087 -14.519 -3.570 1.00 0.00 H new ATOM 0 HE1 PHE A 60 9.883 -13.673 -4.265 1.00 0.00 H new ATOM 0 HE2 PHE A 60 5.828 -13.147 -5.467 1.00 0.00 H new ATOM 0 HZ PHE A 60 8.226 -12.718 -5.817 1.00 0.00 H new ATOM 863 N LEU A 61 4.981 -13.165 -0.950 1.00 0.00 N ATOM 864 CA LEU A 61 4.576 -11.794 -1.241 1.00 0.00 C ATOM 865 C LEU A 61 4.568 -10.947 0.028 1.00 0.00 C ATOM 866 O LEU A 61 4.465 -9.722 -0.032 1.00 0.00 O ATOM 867 CB LEU A 61 3.191 -11.776 -1.888 1.00 0.00 C ATOM 868 CG LEU A 61 3.040 -12.592 -3.173 1.00 0.00 C ATOM 869 CD1 LEU A 61 1.575 -12.696 -3.570 1.00 0.00 C ATOM 870 CD2 LEU A 61 3.856 -11.974 -4.297 1.00 0.00 C ATOM 0 H LEU A 61 4.225 -13.848 -1.004 1.00 0.00 H new ATOM 0 HA LEU A 61 5.300 -11.368 -1.936 1.00 0.00 H new ATOM 0 HB2 LEU A 61 2.467 -12.144 -1.161 1.00 0.00 H new ATOM 0 HB3 LEU A 61 2.927 -10.741 -2.105 1.00 0.00 H new ATOM 0 HG LEU A 61 3.418 -13.598 -2.988 1.00 0.00 H new ATOM 0 HD11 LEU A 61 1.487 -13.280 -4.486 1.00 0.00 H new ATOM 0 HD12 LEU A 61 1.016 -13.185 -2.773 1.00 0.00 H new ATOM 0 HD13 LEU A 61 1.171 -11.697 -3.736 1.00 0.00 H new ATOM 0 HD21 LEU A 61 3.736 -12.568 -5.203 1.00 0.00 H new ATOM 0 HD22 LEU A 61 3.510 -10.957 -4.482 1.00 0.00 H new ATOM 0 HD23 LEU A 61 4.908 -11.953 -4.014 1.00 0.00 H new ATOM 882 N SER A 62 4.681 -11.608 1.175 1.00 0.00 N ATOM 883 CA SER A 62 4.684 -10.917 2.459 1.00 0.00 C ATOM 884 C SER A 62 6.102 -10.520 2.858 1.00 0.00 C ATOM 885 O SER A 62 6.311 -9.505 3.523 1.00 0.00 O ATOM 886 CB SER A 62 4.068 -11.804 3.542 1.00 0.00 C ATOM 887 OG SER A 62 3.467 -11.022 4.561 1.00 0.00 O ATOM 0 H SER A 62 4.772 -12.622 1.242 1.00 0.00 H new ATOM 0 HA SER A 62 4.086 -10.012 2.357 1.00 0.00 H new ATOM 0 HB2 SER A 62 3.322 -12.462 3.097 1.00 0.00 H new ATOM 0 HB3 SER A 62 4.838 -12.442 3.975 1.00 0.00 H new ATOM 0 HG SER A 62 3.079 -11.612 5.240 1.00 0.00 H new ATOM 893 N ILE A 63 7.075 -11.328 2.446 1.00 0.00 N ATOM 894 CA ILE A 63 8.472 -11.061 2.759 1.00 0.00 C ATOM 895 C ILE A 63 8.752 -9.563 2.791 1.00 0.00 C ATOM 896 O ILE A 63 8.911 -8.927 1.749 1.00 0.00 O ATOM 897 CB ILE A 63 9.415 -11.726 1.738 1.00 0.00 C ATOM 898 CG1 ILE A 63 9.339 -13.250 1.859 1.00 0.00 C ATOM 899 CG2 ILE A 63 10.842 -11.244 1.942 1.00 0.00 C ATOM 900 CD1 ILE A 63 9.953 -13.980 0.685 1.00 0.00 C ATOM 0 H ILE A 63 6.920 -12.172 1.895 1.00 0.00 H new ATOM 0 HA ILE A 63 8.660 -11.485 3.746 1.00 0.00 H new ATOM 0 HB ILE A 63 9.097 -11.443 0.734 1.00 0.00 H new ATOM 0 HG12 ILE A 63 9.844 -13.560 2.774 1.00 0.00 H new ATOM 0 HG13 ILE A 63 8.295 -13.547 1.956 1.00 0.00 H new ATOM 0 HG21 ILE A 63 11.496 -11.723 1.213 1.00 0.00 H new ATOM 0 HG22 ILE A 63 10.883 -10.163 1.811 1.00 0.00 H new ATOM 0 HG23 ILE A 63 11.172 -11.500 2.949 1.00 0.00 H new ATOM 0 HD11 ILE A 63 9.864 -15.055 0.838 1.00 0.00 H new ATOM 0 HD12 ILE A 63 9.432 -13.699 -0.231 1.00 0.00 H new ATOM 0 HD13 ILE A 63 11.006 -13.712 0.600 1.00 0.00 H new ATOM 912 N VAL A 64 8.813 -9.003 3.995 1.00 0.00 N ATOM 913 CA VAL A 64 9.078 -7.579 4.164 1.00 0.00 C ATOM 914 C VAL A 64 10.441 -7.202 3.593 1.00 0.00 C ATOM 915 O VAL A 64 11.422 -7.918 3.778 1.00 0.00 O ATOM 916 CB VAL A 64 9.024 -7.171 5.648 1.00 0.00 C ATOM 917 CG1 VAL A 64 8.870 -5.664 5.782 1.00 0.00 C ATOM 918 CG2 VAL A 64 7.893 -7.897 6.360 1.00 0.00 C ATOM 0 H VAL A 64 8.682 -9.514 4.868 1.00 0.00 H new ATOM 0 HA VAL A 64 8.299 -7.045 3.620 1.00 0.00 H new ATOM 0 HB VAL A 64 9.963 -7.459 6.120 1.00 0.00 H new ATOM 0 HG11 VAL A 64 8.834 -5.394 6.838 1.00 0.00 H new ATOM 0 HG12 VAL A 64 9.718 -5.168 5.310 1.00 0.00 H new ATOM 0 HG13 VAL A 64 7.948 -5.348 5.295 1.00 0.00 H new ATOM 0 HG21 VAL A 64 7.870 -7.596 7.407 1.00 0.00 H new ATOM 0 HG22 VAL A 64 6.944 -7.643 5.889 1.00 0.00 H new ATOM 0 HG23 VAL A 64 8.054 -8.973 6.295 1.00 0.00 H new ATOM 928 N GLY A 65 10.491 -6.070 2.897 1.00 0.00 N ATOM 929 CA GLY A 65 11.737 -5.615 2.310 1.00 0.00 C ATOM 930 C GLY A 65 12.915 -5.778 3.250 1.00 0.00 C ATOM 931 O GLY A 65 12.785 -5.582 4.459 1.00 0.00 O ATOM 0 H GLY A 65 9.691 -5.460 2.730 1.00 0.00 H new ATOM 0 HA2 GLY A 65 11.928 -6.173 1.393 1.00 0.00 H new ATOM 0 HA3 GLY A 65 11.642 -4.566 2.031 1.00 0.00 H new ATOM 935 N CYS A 66 14.068 -6.138 2.696 1.00 0.00 N ATOM 936 CA CYS A 66 15.273 -6.330 3.494 1.00 0.00 C ATOM 937 C CYS A 66 16.173 -5.099 3.424 1.00 0.00 C ATOM 938 O CYS A 66 17.115 -4.960 4.203 1.00 0.00 O ATOM 939 CB CYS A 66 16.039 -7.563 3.010 1.00 0.00 C ATOM 940 SG CYS A 66 16.744 -7.391 1.339 1.00 0.00 S ATOM 0 H CYS A 66 14.193 -6.303 1.697 1.00 0.00 H new ATOM 0 HA CYS A 66 14.972 -6.481 4.531 1.00 0.00 H new ATOM 0 HB2 CYS A 66 16.845 -7.776 3.713 1.00 0.00 H new ATOM 0 HB3 CYS A 66 15.369 -8.422 3.023 1.00 0.00 H new ATOM 0 HG CYS A 66 16.451 -8.443 0.634 1.00 0.00 H new ATOM 945 N THR A 67 15.873 -4.207 2.485 1.00 0.00 N ATOM 946 CA THR A 67 16.653 -2.988 2.312 1.00 0.00 C ATOM 947 C THR A 67 15.842 -1.756 2.697 1.00 0.00 C ATOM 948 O THR A 67 14.615 -1.805 2.767 1.00 0.00 O ATOM 949 CB THR A 67 17.140 -2.834 0.858 1.00 0.00 C ATOM 950 OG1 THR A 67 17.830 -4.018 0.445 1.00 0.00 O ATOM 951 CG2 THR A 67 18.060 -1.630 0.721 1.00 0.00 C ATOM 0 H THR A 67 15.095 -4.306 1.833 1.00 0.00 H new ATOM 0 HA THR A 67 17.518 -3.071 2.971 1.00 0.00 H new ATOM 0 HB THR A 67 16.270 -2.681 0.220 1.00 0.00 H new ATOM 0 HG1 THR A 67 18.797 -3.871 0.504 1.00 0.00 H new ATOM 0 HG21 THR A 67 18.391 -1.541 -0.314 1.00 0.00 H new ATOM 0 HG22 THR A 67 17.522 -0.727 1.009 1.00 0.00 H new ATOM 0 HG23 THR A 67 18.926 -1.759 1.370 1.00 0.00 H new ATOM 959 N LYS A 68 16.536 -0.651 2.947 1.00 0.00 N ATOM 960 CA LYS A 68 15.882 0.596 3.324 1.00 0.00 C ATOM 961 C LYS A 68 16.257 1.719 2.363 1.00 0.00 C ATOM 962 O LYS A 68 17.369 1.756 1.840 1.00 0.00 O ATOM 963 CB LYS A 68 16.264 0.985 4.754 1.00 0.00 C ATOM 964 CG LYS A 68 15.413 0.308 5.816 1.00 0.00 C ATOM 965 CD LYS A 68 14.191 1.142 6.167 1.00 0.00 C ATOM 966 CE LYS A 68 13.323 0.449 7.205 1.00 0.00 C ATOM 967 NZ LYS A 68 13.900 0.559 8.574 1.00 0.00 N ATOM 0 H LYS A 68 17.553 -0.594 2.895 1.00 0.00 H new ATOM 0 HA LYS A 68 14.804 0.442 3.272 1.00 0.00 H new ATOM 0 HB2 LYS A 68 17.311 0.732 4.923 1.00 0.00 H new ATOM 0 HB3 LYS A 68 16.175 2.066 4.864 1.00 0.00 H new ATOM 0 HG2 LYS A 68 15.096 -0.672 5.459 1.00 0.00 H new ATOM 0 HG3 LYS A 68 16.011 0.142 6.712 1.00 0.00 H new ATOM 0 HD2 LYS A 68 14.509 2.113 6.547 1.00 0.00 H new ATOM 0 HD3 LYS A 68 13.605 1.328 5.267 1.00 0.00 H new ATOM 0 HE2 LYS A 68 12.325 0.888 7.195 1.00 0.00 H new ATOM 0 HE3 LYS A 68 13.211 -0.603 6.941 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 13.279 0.074 9.253 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 14.842 0.118 8.590 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 13.983 1.562 8.836 1.00 0.00 H new ATOM 981 N GLY A 69 15.319 2.636 2.137 1.00 0.00 N ATOM 982 CA GLY A 69 15.573 3.749 1.240 1.00 0.00 C ATOM 983 C GLY A 69 14.358 4.640 1.067 1.00 0.00 C ATOM 984 O GLY A 69 13.517 4.734 1.959 1.00 0.00 O ATOM 0 H GLY A 69 14.390 2.628 2.558 1.00 0.00 H new ATOM 0 HA2 GLY A 69 16.403 4.341 1.626 1.00 0.00 H new ATOM 0 HA3 GLY A 69 15.881 3.365 0.267 1.00 0.00 H new ATOM 988 N ARG A 70 14.269 5.298 -0.084 1.00 0.00 N ATOM 989 CA ARG A 70 13.153 6.189 -0.371 1.00 0.00 C ATOM 990 C ARG A 70 12.217 5.573 -1.408 1.00 0.00 C ATOM 991 O ARG A 70 12.660 5.111 -2.460 1.00 0.00 O ATOM 992 CB ARG A 70 13.664 7.542 -0.870 1.00 0.00 C ATOM 993 CG ARG A 70 14.950 7.993 -0.194 1.00 0.00 C ATOM 994 CD ARG A 70 15.444 9.312 -0.765 1.00 0.00 C ATOM 995 NE ARG A 70 16.305 10.027 0.175 1.00 0.00 N ATOM 996 CZ ARG A 70 16.750 11.261 -0.029 1.00 0.00 C ATOM 997 NH1 ARG A 70 16.420 11.915 -1.135 1.00 0.00 N ATOM 998 NH2 ARG A 70 17.529 11.845 0.873 1.00 0.00 N ATOM 0 H ARG A 70 14.958 5.230 -0.833 1.00 0.00 H new ATOM 0 HA ARG A 70 12.596 6.339 0.554 1.00 0.00 H new ATOM 0 HB2 ARG A 70 13.830 7.484 -1.946 1.00 0.00 H new ATOM 0 HB3 ARG A 70 12.893 8.295 -0.706 1.00 0.00 H new ATOM 0 HG2 ARG A 70 14.782 8.099 0.878 1.00 0.00 H new ATOM 0 HG3 ARG A 70 15.717 7.229 -0.322 1.00 0.00 H new ATOM 0 HD2 ARG A 70 15.992 9.125 -1.688 1.00 0.00 H new ATOM 0 HD3 ARG A 70 14.590 9.938 -1.023 1.00 0.00 H new ATOM 0 HE ARG A 70 16.579 9.552 1.035 1.00 0.00 H new ATOM 0 HH11 ARG A 70 15.823 11.470 -1.832 1.00 0.00 H new ATOM 0 HH12 ARG A 70 16.764 12.863 -1.289 1.00 0.00 H new ATOM 0 HH21 ARG A 70 17.787 11.346 1.724 1.00 0.00 H new ATOM 0 HH22 ARG A 70 17.870 12.793 0.715 1.00 0.00 H new ATOM 1012 N HIS A 71 10.924 5.570 -1.104 1.00 0.00 N ATOM 1013 CA HIS A 71 9.927 5.011 -2.010 1.00 0.00 C ATOM 1014 C HIS A 71 10.150 5.505 -3.436 1.00 0.00 C ATOM 1015 O HIS A 71 10.405 6.688 -3.660 1.00 0.00 O ATOM 1016 CB HIS A 71 8.518 5.383 -1.544 1.00 0.00 C ATOM 1017 CG HIS A 71 8.179 4.859 -0.182 1.00 0.00 C ATOM 1018 ND1 HIS A 71 7.476 3.691 0.021 1.00 0.00 N ATOM 1019 CD2 HIS A 71 8.455 5.349 1.049 1.00 0.00 C ATOM 1020 CE1 HIS A 71 7.330 3.487 1.318 1.00 0.00 C ATOM 1021 NE2 HIS A 71 7.915 4.479 1.964 1.00 0.00 N ATOM 0 H HIS A 71 10.541 5.948 -0.237 1.00 0.00 H new ATOM 0 HA HIS A 71 10.031 3.926 -2.000 1.00 0.00 H new ATOM 0 HB2 HIS A 71 8.420 6.469 -1.541 1.00 0.00 H new ATOM 0 HB3 HIS A 71 7.794 4.999 -2.262 1.00 0.00 H new ATOM 0 HD2 HIS A 71 8.999 6.255 1.270 1.00 0.00 H new ATOM 0 HE1 HIS A 71 6.819 2.651 1.773 1.00 0.00 H new ATOM 0 HE2 HIS A 71 7.959 4.582 2.978 1.00 0.00 H new ATOM 1029 N ASN A 72 10.056 4.590 -4.395 1.00 0.00 N ATOM 1030 CA ASN A 72 10.248 4.933 -5.800 1.00 0.00 C ATOM 1031 C ASN A 72 8.920 5.286 -6.462 1.00 0.00 C ATOM 1032 O ASN A 72 8.080 4.416 -6.694 1.00 0.00 O ATOM 1033 CB ASN A 72 10.910 3.770 -6.543 1.00 0.00 C ATOM 1034 CG ASN A 72 12.382 3.631 -6.207 1.00 0.00 C ATOM 1035 OD1 ASN A 72 12.861 4.194 -5.223 1.00 0.00 O ATOM 1036 ND2 ASN A 72 13.106 2.878 -7.026 1.00 0.00 N ATOM 0 H ASN A 72 9.848 3.606 -4.226 1.00 0.00 H new ATOM 0 HA ASN A 72 10.899 5.806 -5.850 1.00 0.00 H new ATOM 0 HB2 ASN A 72 10.394 2.843 -6.293 1.00 0.00 H new ATOM 0 HB3 ASN A 72 10.798 3.918 -7.617 1.00 0.00 H new ATOM 0 HD21 ASN A 72 14.102 2.747 -6.851 1.00 0.00 H new ATOM 0 HD22 ASN A 72 12.666 2.430 -7.830 1.00 0.00 H new ATOM 1043 N SER A 73 8.738 6.567 -6.764 1.00 0.00 N ATOM 1044 CA SER A 73 7.510 7.036 -7.397 1.00 0.00 C ATOM 1045 C SER A 73 7.549 6.792 -8.902 1.00 0.00 C ATOM 1046 O SER A 73 6.653 7.216 -9.632 1.00 0.00 O ATOM 1047 CB SER A 73 7.304 8.526 -7.115 1.00 0.00 C ATOM 1048 OG SER A 73 8.016 9.324 -8.045 1.00 0.00 O ATOM 0 H SER A 73 9.424 7.299 -6.581 1.00 0.00 H new ATOM 0 HA SER A 73 6.675 6.475 -6.977 1.00 0.00 H new ATOM 0 HB2 SER A 73 6.242 8.765 -7.164 1.00 0.00 H new ATOM 0 HB3 SER A 73 7.636 8.757 -6.103 1.00 0.00 H new ATOM 0 HG SER A 73 7.867 10.272 -7.845 1.00 0.00 H new ATOM 1054 N GLU A 74 8.590 6.105 -9.358 1.00 0.00 N ATOM 1055 CA GLU A 74 8.745 5.805 -10.777 1.00 0.00 C ATOM 1056 C GLU A 74 8.462 4.332 -11.055 1.00 0.00 C ATOM 1057 O GLU A 74 9.037 3.446 -10.423 1.00 0.00 O ATOM 1058 CB GLU A 74 10.158 6.161 -11.245 1.00 0.00 C ATOM 1059 CG GLU A 74 11.194 5.100 -10.915 1.00 0.00 C ATOM 1060 CD GLU A 74 12.606 5.537 -11.255 1.00 0.00 C ATOM 1061 OE1 GLU A 74 12.944 6.709 -10.986 1.00 0.00 O ATOM 1062 OE2 GLU A 74 13.372 4.709 -11.789 1.00 0.00 O ATOM 0 H GLU A 74 9.339 5.745 -8.766 1.00 0.00 H new ATOM 0 HA GLU A 74 8.024 6.407 -11.330 1.00 0.00 H new ATOM 0 HB2 GLU A 74 10.145 6.321 -12.323 1.00 0.00 H new ATOM 0 HB3 GLU A 74 10.457 7.104 -10.786 1.00 0.00 H new ATOM 0 HG2 GLU A 74 11.138 4.860 -9.853 1.00 0.00 H new ATOM 0 HG3 GLU A 74 10.959 4.186 -11.461 1.00 0.00 H new ATOM 1069 N LYS A 75 7.569 4.077 -12.006 1.00 0.00 N ATOM 1070 CA LYS A 75 7.208 2.712 -12.371 1.00 0.00 C ATOM 1071 C LYS A 75 8.438 1.922 -12.810 1.00 0.00 C ATOM 1072 O LYS A 75 8.293 0.789 -13.265 1.00 0.00 O ATOM 1073 CB LYS A 75 6.167 2.721 -13.493 1.00 0.00 C ATOM 1074 CG LYS A 75 4.734 2.783 -12.993 1.00 0.00 C ATOM 1075 CD LYS A 75 3.741 2.506 -14.109 1.00 0.00 C ATOM 1076 CE LYS A 75 2.311 2.508 -13.596 1.00 0.00 C ATOM 1077 NZ LYS A 75 1.951 1.216 -12.948 1.00 0.00 N ATOM 0 H LYS A 75 7.082 4.798 -12.538 1.00 0.00 H new ATOM 0 HA LYS A 75 6.782 2.228 -11.492 1.00 0.00 H new ATOM 0 HB2 LYS A 75 6.353 3.576 -14.143 1.00 0.00 H new ATOM 0 HB3 LYS A 75 6.292 1.825 -14.101 1.00 0.00 H new ATOM 0 HG2 LYS A 75 4.595 2.056 -12.193 1.00 0.00 H new ATOM 0 HG3 LYS A 75 4.539 3.767 -12.567 1.00 0.00 H new ATOM 0 HD2 LYS A 75 3.850 3.259 -14.889 1.00 0.00 H new ATOM 0 HD3 LYS A 75 3.964 1.541 -14.564 1.00 0.00 H new ATOM 0 HE2 LYS A 75 2.183 3.321 -12.881 1.00 0.00 H new ATOM 0 HE3 LYS A 75 1.629 2.701 -14.424 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 0.968 1.258 -12.612 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 2.048 0.443 -13.637 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 2.585 1.043 -12.142 1.00 0.00 H new