USER MOD reduce.3.24.130724 H: found=0, std=0, add=587, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 585 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 Single : A 1 GLY N :NH3+ -151:sc= 0.00307 (180deg=0) USER MOD Single : A 2 SER OG : rot 25:sc= 0.183 USER MOD Single : A 3 SER OG : rot 113:sc= 0.945 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 7:sc= 0.223 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0392) USER MOD Single : A 18 GLN : amide:sc= -4.67! C(o=-4.7!,f=-4.4!) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot -90:sc= -3.28! USER MOD Single : A 28 GLN : amide:sc= -0.382 K(o=-0.38,f=-2.8) USER MOD Single : A 29 ASN : amide:sc= -4.38! C(o=-4.4!,f=-2.8!) USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 44 THR OG1 : rot -150:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 MET CE :methyl -167:sc=-0.00571 (180deg=-0.323) USER MOD Single : A 47 THR OG1 : rot -75:sc= -0.645 USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 67 THR OG1 : rot 120:sc= -1.18 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 73 SER OG : rot 17:sc= 0.124! USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -9.663 11.807 -19.892 1.00 0.00 N ATOM 2 CA GLY A 1 -9.492 10.376 -20.063 1.00 0.00 C ATOM 3 C GLY A 1 -8.634 9.760 -18.976 1.00 0.00 C ATOM 4 O GLY A 1 -8.750 10.122 -17.805 1.00 0.00 O ATOM 0 H1 GLY A 1 -10.576 12.098 -20.296 1.00 0.00 H new ATOM 0 H2 GLY A 1 -9.643 12.040 -18.879 1.00 0.00 H new ATOM 0 H3 GLY A 1 -8.893 12.309 -20.379 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -10.470 9.894 -20.066 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -9.037 10.181 -21.034 1.00 0.00 H new ATOM 8 N SER A 2 -7.771 8.826 -19.363 1.00 0.00 N ATOM 9 CA SER A 2 -6.894 8.154 -18.411 1.00 0.00 C ATOM 10 C SER A 2 -5.547 8.864 -18.319 1.00 0.00 C ATOM 11 O SER A 2 -4.911 9.146 -19.335 1.00 0.00 O ATOM 12 CB SER A 2 -6.687 6.694 -18.819 1.00 0.00 C ATOM 13 OG SER A 2 -6.008 6.602 -20.059 1.00 0.00 O ATOM 0 H SER A 2 -7.660 8.517 -20.329 1.00 0.00 H new ATOM 0 HA SER A 2 -7.370 8.186 -17.431 1.00 0.00 H new ATOM 0 HB2 SER A 2 -6.116 6.176 -18.049 1.00 0.00 H new ATOM 0 HB3 SER A 2 -7.652 6.193 -18.891 1.00 0.00 H new ATOM 0 HG SER A 2 -5.479 7.415 -20.204 1.00 0.00 H new ATOM 19 N SER A 3 -5.119 9.151 -17.094 1.00 0.00 N ATOM 20 CA SER A 3 -3.849 9.832 -16.868 1.00 0.00 C ATOM 21 C SER A 3 -3.355 9.601 -15.443 1.00 0.00 C ATOM 22 O SER A 3 -4.135 9.624 -14.492 1.00 0.00 O ATOM 23 CB SER A 3 -3.997 11.332 -17.132 1.00 0.00 C ATOM 24 OG SER A 3 -4.901 11.925 -16.216 1.00 0.00 O ATOM 0 H SER A 3 -5.633 8.923 -16.243 1.00 0.00 H new ATOM 0 HA SER A 3 -3.115 9.419 -17.560 1.00 0.00 H new ATOM 0 HB2 SER A 3 -3.024 11.816 -17.052 1.00 0.00 H new ATOM 0 HB3 SER A 3 -4.350 11.492 -18.151 1.00 0.00 H new ATOM 0 HG SER A 3 -4.414 12.536 -15.625 1.00 0.00 H new ATOM 30 N GLY A 4 -2.052 9.378 -15.304 1.00 0.00 N ATOM 31 CA GLY A 4 -1.475 9.146 -13.993 1.00 0.00 C ATOM 32 C GLY A 4 -1.064 10.432 -13.304 1.00 0.00 C ATOM 33 O GLY A 4 -1.807 10.968 -12.481 1.00 0.00 O ATOM 0 H GLY A 4 -1.386 9.354 -16.076 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -2.197 8.619 -13.370 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -0.605 8.497 -14.092 1.00 0.00 H new ATOM 37 N SER A 5 0.122 10.929 -13.639 1.00 0.00 N ATOM 38 CA SER A 5 0.633 12.158 -13.043 1.00 0.00 C ATOM 39 C SER A 5 0.259 13.370 -13.891 1.00 0.00 C ATOM 40 O SER A 5 1.045 14.306 -14.035 1.00 0.00 O ATOM 41 CB SER A 5 2.152 12.080 -12.885 1.00 0.00 C ATOM 42 OG SER A 5 2.517 11.089 -11.940 1.00 0.00 O ATOM 0 H SER A 5 0.748 10.499 -14.320 1.00 0.00 H new ATOM 0 HA SER A 5 0.178 12.272 -12.059 1.00 0.00 H new ATOM 0 HB2 SER A 5 2.610 11.854 -13.848 1.00 0.00 H new ATOM 0 HB3 SER A 5 2.538 13.049 -12.568 1.00 0.00 H new ATOM 0 HG SER A 5 3.493 11.058 -11.859 1.00 0.00 H new ATOM 48 N SER A 6 -0.946 13.343 -14.451 1.00 0.00 N ATOM 49 CA SER A 6 -1.423 14.437 -15.289 1.00 0.00 C ATOM 50 C SER A 6 -2.940 14.575 -15.191 1.00 0.00 C ATOM 51 O SER A 6 -3.603 13.788 -14.517 1.00 0.00 O ATOM 52 CB SER A 6 -1.014 14.208 -16.745 1.00 0.00 C ATOM 53 OG SER A 6 0.375 14.419 -16.924 1.00 0.00 O ATOM 0 H SER A 6 -1.609 12.576 -14.340 1.00 0.00 H new ATOM 0 HA SER A 6 -0.967 15.361 -14.932 1.00 0.00 H new ATOM 0 HB2 SER A 6 -1.272 13.192 -17.043 1.00 0.00 H new ATOM 0 HB3 SER A 6 -1.574 14.882 -17.393 1.00 0.00 H new ATOM 0 HG SER A 6 0.799 14.565 -16.052 1.00 0.00 H new ATOM 59 N GLY A 7 -3.481 15.583 -15.868 1.00 0.00 N ATOM 60 CA GLY A 7 -4.915 15.807 -15.844 1.00 0.00 C ATOM 61 C GLY A 7 -5.489 15.739 -14.443 1.00 0.00 C ATOM 62 O GLY A 7 -4.778 15.891 -13.449 1.00 0.00 O ATOM 0 H GLY A 7 -2.952 16.248 -16.432 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -5.134 16.783 -16.276 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -5.406 15.063 -16.471 1.00 0.00 H new ATOM 66 N PRO A 8 -6.807 15.508 -14.350 1.00 0.00 N ATOM 67 CA PRO A 8 -7.506 15.417 -13.064 1.00 0.00 C ATOM 68 C PRO A 8 -7.131 14.158 -12.289 1.00 0.00 C ATOM 69 O PRO A 8 -7.345 13.040 -12.758 1.00 0.00 O ATOM 70 CB PRO A 8 -8.983 15.378 -13.465 1.00 0.00 C ATOM 71 CG PRO A 8 -8.985 14.828 -14.850 1.00 0.00 C ATOM 72 CD PRO A 8 -7.717 15.318 -15.492 1.00 0.00 C ATOM 0 HA PRO A 8 -7.252 16.245 -12.402 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -9.561 14.748 -12.788 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -9.428 16.372 -13.433 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -9.020 13.739 -14.837 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -9.860 15.169 -15.404 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -7.322 14.594 -16.205 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -7.876 16.248 -16.038 1.00 0.00 H new ATOM 80 N THR A 9 -6.571 14.347 -11.098 1.00 0.00 N ATOM 81 CA THR A 9 -6.166 13.227 -10.258 1.00 0.00 C ATOM 82 C THR A 9 -7.073 13.098 -9.039 1.00 0.00 C ATOM 83 O THR A 9 -6.851 13.744 -8.015 1.00 0.00 O ATOM 84 CB THR A 9 -4.708 13.379 -9.784 1.00 0.00 C ATOM 85 OG1 THR A 9 -3.845 13.576 -10.910 1.00 0.00 O ATOM 86 CG2 THR A 9 -4.262 12.151 -9.005 1.00 0.00 C ATOM 0 H THR A 9 -6.388 15.265 -10.694 1.00 0.00 H new ATOM 0 HA THR A 9 -6.251 12.328 -10.868 1.00 0.00 H new ATOM 0 HB THR A 9 -4.651 14.247 -9.127 1.00 0.00 H new ATOM 0 HG1 THR A 9 -2.920 13.673 -10.600 1.00 0.00 H new ATOM 0 HG21 THR A 9 -3.230 12.281 -8.681 1.00 0.00 H new ATOM 0 HG22 THR A 9 -4.903 12.021 -8.133 1.00 0.00 H new ATOM 0 HG23 THR A 9 -4.334 11.270 -9.643 1.00 0.00 H new ATOM 94 N LYS A 10 -8.096 12.258 -9.156 1.00 0.00 N ATOM 95 CA LYS A 10 -9.037 12.041 -8.063 1.00 0.00 C ATOM 96 C LYS A 10 -8.300 11.723 -6.766 1.00 0.00 C ATOM 97 O LYS A 10 -7.100 11.450 -6.773 1.00 0.00 O ATOM 98 CB LYS A 10 -9.998 10.901 -8.409 1.00 0.00 C ATOM 99 CG LYS A 10 -10.822 11.159 -9.659 1.00 0.00 C ATOM 100 CD LYS A 10 -11.902 10.106 -9.841 1.00 0.00 C ATOM 101 CE LYS A 10 -12.472 10.130 -11.251 1.00 0.00 C ATOM 102 NZ LYS A 10 -12.984 8.794 -11.666 1.00 0.00 N ATOM 0 H LYS A 10 -8.295 11.716 -9.997 1.00 0.00 H new ATOM 0 HA LYS A 10 -9.608 12.959 -7.920 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -9.426 9.983 -8.544 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -10.671 10.736 -7.568 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -11.281 12.146 -9.596 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -10.169 11.166 -10.532 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -11.489 9.119 -9.631 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -12.702 10.276 -9.121 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -13.279 10.861 -11.304 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -11.701 10.456 -11.949 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -13.364 8.853 -12.632 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -12.208 8.102 -11.640 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -13.738 8.494 -11.015 1.00 0.00 H new ATOM 116 N TYR A 11 -9.027 11.759 -5.655 1.00 0.00 N ATOM 117 CA TYR A 11 -8.442 11.476 -4.349 1.00 0.00 C ATOM 118 C TYR A 11 -9.237 10.399 -3.618 1.00 0.00 C ATOM 119 O TYR A 11 -10.468 10.384 -3.657 1.00 0.00 O ATOM 120 CB TYR A 11 -8.389 12.749 -3.503 1.00 0.00 C ATOM 121 CG TYR A 11 -7.945 13.971 -4.275 1.00 0.00 C ATOM 122 CD1 TYR A 11 -8.842 14.688 -5.057 1.00 0.00 C ATOM 123 CD2 TYR A 11 -6.627 14.409 -4.222 1.00 0.00 C ATOM 124 CE1 TYR A 11 -8.440 15.804 -5.765 1.00 0.00 C ATOM 125 CE2 TYR A 11 -6.217 15.526 -4.924 1.00 0.00 C ATOM 126 CZ TYR A 11 -7.126 16.219 -5.695 1.00 0.00 C ATOM 127 OH TYR A 11 -6.722 17.332 -6.397 1.00 0.00 O ATOM 0 H TYR A 11 -10.022 11.981 -5.632 1.00 0.00 H new ATOM 0 HA TYR A 11 -7.427 11.110 -4.506 1.00 0.00 H new ATOM 0 HB2 TYR A 11 -9.376 12.936 -3.080 1.00 0.00 H new ATOM 0 HB3 TYR A 11 -7.709 12.591 -2.666 1.00 0.00 H new ATOM 0 HD1 TYR A 11 -9.872 14.367 -5.112 1.00 0.00 H new ATOM 0 HD2 TYR A 11 -5.911 13.867 -3.622 1.00 0.00 H new ATOM 0 HE1 TYR A 11 -9.150 16.348 -6.370 1.00 0.00 H new ATOM 0 HE2 TYR A 11 -5.190 15.855 -4.869 1.00 0.00 H new ATOM 0 HH TYR A 11 -5.768 17.490 -6.239 1.00 0.00 H new ATOM 137 N LYS A 12 -8.525 9.497 -2.951 1.00 0.00 N ATOM 138 CA LYS A 12 -9.161 8.416 -2.208 1.00 0.00 C ATOM 139 C LYS A 12 -8.343 8.048 -0.974 1.00 0.00 C ATOM 140 O LYS A 12 -7.180 8.433 -0.853 1.00 0.00 O ATOM 141 CB LYS A 12 -9.334 7.187 -3.103 1.00 0.00 C ATOM 142 CG LYS A 12 -10.620 7.199 -3.911 1.00 0.00 C ATOM 143 CD LYS A 12 -11.827 6.893 -3.041 1.00 0.00 C ATOM 144 CE LYS A 12 -13.114 6.894 -3.853 1.00 0.00 C ATOM 145 NZ LYS A 12 -13.195 5.720 -4.765 1.00 0.00 N ATOM 0 H LYS A 12 -7.506 9.493 -2.910 1.00 0.00 H new ATOM 0 HA LYS A 12 -10.142 8.762 -1.882 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -8.487 7.123 -3.786 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -9.313 6.291 -2.483 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -10.747 8.174 -4.381 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -10.553 6.465 -4.714 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -11.697 5.921 -2.565 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -11.898 7.632 -2.243 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -13.970 6.889 -3.178 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -13.174 7.812 -4.437 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -14.128 5.701 -5.225 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -12.453 5.792 -5.490 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -13.061 4.846 -4.218 1.00 0.00 H new ATOM 159 N GLU A 13 -8.957 7.300 -0.063 1.00 0.00 N ATOM 160 CA GLU A 13 -8.284 6.881 1.160 1.00 0.00 C ATOM 161 C GLU A 13 -8.486 5.389 1.408 1.00 0.00 C ATOM 162 O GLU A 13 -9.497 4.813 1.007 1.00 0.00 O ATOM 163 CB GLU A 13 -8.804 7.683 2.355 1.00 0.00 C ATOM 164 CG GLU A 13 -8.282 9.109 2.405 1.00 0.00 C ATOM 165 CD GLU A 13 -8.787 9.873 3.614 1.00 0.00 C ATOM 166 OE1 GLU A 13 -9.959 10.303 3.598 1.00 0.00 O ATOM 167 OE2 GLU A 13 -8.009 10.040 4.577 1.00 0.00 O ATOM 0 H GLU A 13 -9.919 6.972 -0.149 1.00 0.00 H new ATOM 0 HA GLU A 13 -7.217 7.071 1.041 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -9.893 7.705 2.321 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -8.524 7.170 3.275 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -7.192 9.093 2.419 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -8.581 9.633 1.497 1.00 0.00 H new ATOM 174 N ARG A 14 -7.515 4.769 2.071 1.00 0.00 N ATOM 175 CA ARG A 14 -7.584 3.344 2.371 1.00 0.00 C ATOM 176 C ARG A 14 -8.262 3.104 3.717 1.00 0.00 C ATOM 177 O ARG A 14 -8.523 4.043 4.468 1.00 0.00 O ATOM 178 CB ARG A 14 -6.181 2.734 2.379 1.00 0.00 C ATOM 179 CG ARG A 14 -5.472 2.820 1.037 1.00 0.00 C ATOM 180 CD ARG A 14 -5.801 1.625 0.156 1.00 0.00 C ATOM 181 NE ARG A 14 -5.673 1.942 -1.265 1.00 0.00 N ATOM 182 CZ ARG A 14 -6.446 2.819 -1.895 1.00 0.00 C ATOM 183 NH1 ARG A 14 -7.397 3.464 -1.235 1.00 0.00 N ATOM 184 NH2 ARG A 14 -6.267 3.052 -3.189 1.00 0.00 N ATOM 0 H ARG A 14 -6.671 5.231 2.410 1.00 0.00 H new ATOM 0 HA ARG A 14 -8.177 2.863 1.593 1.00 0.00 H new ATOM 0 HB2 ARG A 14 -5.578 3.241 3.132 1.00 0.00 H new ATOM 0 HB3 ARG A 14 -6.250 1.688 2.677 1.00 0.00 H new ATOM 0 HG2 ARG A 14 -5.763 3.739 0.529 1.00 0.00 H new ATOM 0 HG3 ARG A 14 -4.395 2.871 1.196 1.00 0.00 H new ATOM 0 HD2 ARG A 14 -5.137 0.797 0.404 1.00 0.00 H new ATOM 0 HD3 ARG A 14 -6.818 1.291 0.363 1.00 0.00 H new ATOM 0 HE ARG A 14 -4.950 1.463 -1.802 1.00 0.00 H new ATOM 0 HH11 ARG A 14 -7.537 3.287 -0.240 1.00 0.00 H new ATOM 0 HH12 ARG A 14 -7.989 4.137 -1.722 1.00 0.00 H new ATOM 0 HH21 ARG A 14 -5.536 2.557 -3.700 1.00 0.00 H new ATOM 0 HH22 ARG A 14 -6.861 3.726 -3.673 1.00 0.00 H new ATOM 198 N ALA A 15 -8.545 1.840 4.014 1.00 0.00 N ATOM 199 CA ALA A 15 -9.191 1.476 5.269 1.00 0.00 C ATOM 200 C ALA A 15 -8.183 1.427 6.412 1.00 0.00 C ATOM 201 O ALA A 15 -6.977 1.294 6.202 1.00 0.00 O ATOM 202 CB ALA A 15 -9.899 0.137 5.130 1.00 0.00 C ATOM 0 H ALA A 15 -8.337 1.051 3.402 1.00 0.00 H new ATOM 0 HA ALA A 15 -9.930 2.242 5.503 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -10.377 -0.122 6.075 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -10.655 0.205 4.348 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -9.173 -0.633 4.868 1.00 0.00 H new ATOM 208 N PRO A 16 -8.685 1.538 7.651 1.00 0.00 N ATOM 209 CA PRO A 16 -7.844 1.510 8.851 1.00 0.00 C ATOM 210 C PRO A 16 -7.250 0.130 9.110 1.00 0.00 C ATOM 211 O PRO A 16 -6.278 -0.008 9.852 1.00 0.00 O ATOM 212 CB PRO A 16 -8.813 1.894 9.972 1.00 0.00 C ATOM 213 CG PRO A 16 -10.156 1.497 9.464 1.00 0.00 C ATOM 214 CD PRO A 16 -10.112 1.700 7.975 1.00 0.00 C ATOM 0 HA PRO A 16 -6.986 2.177 8.763 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -8.571 1.375 10.899 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -8.770 2.962 10.184 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -10.375 0.458 9.710 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -10.940 2.104 9.918 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -10.728 0.969 7.451 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -10.479 2.687 7.693 1.00 0.00 H new ATOM 222 N GLU A 17 -7.840 -0.889 8.492 1.00 0.00 N ATOM 223 CA GLU A 17 -7.368 -2.259 8.657 1.00 0.00 C ATOM 224 C GLU A 17 -6.227 -2.561 7.690 1.00 0.00 C ATOM 225 O GLU A 17 -5.207 -3.131 8.077 1.00 0.00 O ATOM 226 CB GLU A 17 -8.514 -3.247 8.436 1.00 0.00 C ATOM 227 CG GLU A 17 -9.440 -3.384 9.633 1.00 0.00 C ATOM 228 CD GLU A 17 -10.606 -4.315 9.366 1.00 0.00 C ATOM 229 OE1 GLU A 17 -11.586 -3.871 8.731 1.00 0.00 O ATOM 230 OE2 GLU A 17 -10.540 -5.487 9.791 1.00 0.00 O ATOM 0 H GLU A 17 -8.645 -0.792 7.873 1.00 0.00 H new ATOM 0 HA GLU A 17 -6.996 -2.368 9.676 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -9.096 -2.927 7.572 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -8.098 -4.225 8.196 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -8.872 -3.755 10.486 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -9.821 -2.400 9.907 1.00 0.00 H new ATOM 237 N GLN A 18 -6.408 -2.176 6.431 1.00 0.00 N ATOM 238 CA GLN A 18 -5.395 -2.407 5.408 1.00 0.00 C ATOM 239 C GLN A 18 -4.118 -1.634 5.723 1.00 0.00 C ATOM 240 O GLN A 18 -3.030 -2.209 5.778 1.00 0.00 O ATOM 241 CB GLN A 18 -5.927 -1.999 4.033 1.00 0.00 C ATOM 242 CG GLN A 18 -7.212 -2.710 3.642 1.00 0.00 C ATOM 243 CD GLN A 18 -7.822 -2.156 2.370 1.00 0.00 C ATOM 244 OE1 GLN A 18 -8.586 -1.190 2.404 1.00 0.00 O ATOM 245 NE2 GLN A 18 -7.488 -2.765 1.238 1.00 0.00 N ATOM 0 H GLN A 18 -7.247 -1.703 6.095 1.00 0.00 H new ATOM 0 HA GLN A 18 -5.160 -3.471 5.397 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -6.100 -0.923 4.024 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -5.165 -2.205 3.282 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -7.009 -3.773 3.510 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -7.933 -2.622 4.455 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -6.852 -3.562 1.256 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -7.868 -2.436 0.350 1.00 0.00 H new ATOM 254 N LEU A 19 -4.258 -0.329 5.928 1.00 0.00 N ATOM 255 CA LEU A 19 -3.115 0.523 6.237 1.00 0.00 C ATOM 256 C LEU A 19 -2.275 -0.078 7.360 1.00 0.00 C ATOM 257 O LEU A 19 -1.067 -0.265 7.213 1.00 0.00 O ATOM 258 CB LEU A 19 -3.589 1.923 6.632 1.00 0.00 C ATOM 259 CG LEU A 19 -4.008 2.839 5.481 1.00 0.00 C ATOM 260 CD1 LEU A 19 -4.626 4.121 6.018 1.00 0.00 C ATOM 261 CD2 LEU A 19 -2.817 3.152 4.588 1.00 0.00 C ATOM 0 H LEU A 19 -5.151 0.162 5.886 1.00 0.00 H new ATOM 0 HA LEU A 19 -2.495 0.595 5.343 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -4.433 1.820 7.314 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -2.789 2.413 7.187 1.00 0.00 H new ATOM 0 HG LEU A 19 -4.758 2.321 4.883 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -4.918 4.761 5.185 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -5.505 3.879 6.615 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -3.898 4.643 6.639 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -3.134 3.805 3.775 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -2.044 3.650 5.173 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -2.418 2.225 4.175 1.00 0.00 H new ATOM 273 N ARG A 20 -2.923 -0.379 8.480 1.00 0.00 N ATOM 274 CA ARG A 20 -2.237 -0.959 9.627 1.00 0.00 C ATOM 275 C ARG A 20 -1.129 -1.907 9.176 1.00 0.00 C ATOM 276 O ARG A 20 -0.073 -1.986 9.803 1.00 0.00 O ATOM 277 CB ARG A 20 -3.230 -1.707 10.518 1.00 0.00 C ATOM 278 CG ARG A 20 -2.575 -2.452 11.670 1.00 0.00 C ATOM 279 CD ARG A 20 -3.463 -3.574 12.185 1.00 0.00 C ATOM 280 NE ARG A 20 -2.917 -4.196 13.388 1.00 0.00 N ATOM 281 CZ ARG A 20 -3.333 -5.363 13.866 1.00 0.00 C ATOM 282 NH1 ARG A 20 -4.295 -6.032 13.246 1.00 0.00 N ATOM 283 NH2 ARG A 20 -2.786 -5.864 14.967 1.00 0.00 N ATOM 0 H ARG A 20 -3.923 -0.231 8.617 1.00 0.00 H new ATOM 0 HA ARG A 20 -1.787 -0.147 10.198 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -3.951 -0.996 10.920 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -3.789 -2.417 9.908 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -1.620 -2.863 11.343 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -2.361 -1.755 12.480 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -4.457 -3.180 12.400 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -3.580 -4.329 11.408 1.00 0.00 H new ATOM 0 HE ARG A 20 -2.175 -3.707 13.889 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -4.718 -5.651 12.400 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -4.613 -6.928 13.615 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -2.045 -5.352 15.447 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -3.106 -6.760 15.333 1.00 0.00 H new ATOM 297 N ALA A 21 -1.379 -2.623 8.085 1.00 0.00 N ATOM 298 CA ALA A 21 -0.402 -3.564 7.549 1.00 0.00 C ATOM 299 C ALA A 21 0.589 -2.861 6.628 1.00 0.00 C ATOM 300 O ALA A 21 1.800 -3.055 6.738 1.00 0.00 O ATOM 301 CB ALA A 21 -1.107 -4.691 6.809 1.00 0.00 C ATOM 0 H ALA A 21 -2.249 -2.570 7.555 1.00 0.00 H new ATOM 0 HA ALA A 21 0.156 -3.986 8.384 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -0.366 -5.386 6.414 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -1.770 -5.218 7.495 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -1.691 -4.277 5.987 1.00 0.00 H new ATOM 307 N LEU A 22 0.067 -2.045 5.718 1.00 0.00 N ATOM 308 CA LEU A 22 0.907 -1.313 4.776 1.00 0.00 C ATOM 309 C LEU A 22 1.852 -0.367 5.510 1.00 0.00 C ATOM 310 O LEU A 22 3.071 -0.470 5.380 1.00 0.00 O ATOM 311 CB LEU A 22 0.038 -0.524 3.795 1.00 0.00 C ATOM 312 CG LEU A 22 -0.941 -1.345 2.954 1.00 0.00 C ATOM 313 CD1 LEU A 22 -1.969 -0.439 2.296 1.00 0.00 C ATOM 314 CD2 LEU A 22 -0.193 -2.156 1.906 1.00 0.00 C ATOM 0 H LEU A 22 -0.933 -1.874 5.613 1.00 0.00 H new ATOM 0 HA LEU A 22 1.505 -2.037 4.222 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -0.530 0.216 4.358 1.00 0.00 H new ATOM 0 HB3 LEU A 22 0.694 0.025 3.120 1.00 0.00 H new ATOM 0 HG LEU A 22 -1.466 -2.036 3.613 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -2.657 -1.041 1.702 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -2.526 0.097 3.064 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -1.462 0.277 1.649 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -0.905 -2.734 1.317 1.00 0.00 H new ATOM 0 HD22 LEU A 22 0.359 -1.482 1.250 1.00 0.00 H new ATOM 0 HD23 LEU A 22 0.504 -2.833 2.399 1.00 0.00 H new ATOM 326 N GLU A 23 1.280 0.552 6.282 1.00 0.00 N ATOM 327 CA GLU A 23 2.073 1.515 7.038 1.00 0.00 C ATOM 328 C GLU A 23 3.189 0.815 7.808 1.00 0.00 C ATOM 329 O GLU A 23 4.369 1.109 7.615 1.00 0.00 O ATOM 330 CB GLU A 23 1.181 2.294 8.007 1.00 0.00 C ATOM 331 CG GLU A 23 0.175 3.198 7.315 1.00 0.00 C ATOM 332 CD GLU A 23 -0.197 4.406 8.152 1.00 0.00 C ATOM 333 OE1 GLU A 23 -0.389 4.244 9.375 1.00 0.00 O ATOM 334 OE2 GLU A 23 -0.295 5.514 7.584 1.00 0.00 O ATOM 0 H GLU A 23 0.272 0.650 6.400 1.00 0.00 H new ATOM 0 HA GLU A 23 2.524 2.211 6.331 1.00 0.00 H new ATOM 0 HB2 GLU A 23 0.646 1.588 8.642 1.00 0.00 H new ATOM 0 HB3 GLU A 23 1.810 2.898 8.661 1.00 0.00 H new ATOM 0 HG2 GLU A 23 0.588 3.533 6.364 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -0.725 2.627 7.088 1.00 0.00 H new ATOM 341 N SER A 24 2.808 -0.112 8.680 1.00 0.00 N ATOM 342 CA SER A 24 3.775 -0.851 9.483 1.00 0.00 C ATOM 343 C SER A 24 4.869 -1.448 8.602 1.00 0.00 C ATOM 344 O SER A 24 6.046 -1.433 8.960 1.00 0.00 O ATOM 345 CB SER A 24 3.075 -1.961 10.270 1.00 0.00 C ATOM 346 OG SER A 24 3.932 -2.501 11.261 1.00 0.00 O ATOM 0 H SER A 24 1.836 -0.370 8.849 1.00 0.00 H new ATOM 0 HA SER A 24 4.236 -0.155 10.184 1.00 0.00 H new ATOM 0 HB2 SER A 24 2.174 -1.566 10.740 1.00 0.00 H new ATOM 0 HB3 SER A 24 2.759 -2.751 9.588 1.00 0.00 H new ATOM 0 HG SER A 24 3.461 -3.207 11.751 1.00 0.00 H new ATOM 352 N SER A 25 4.469 -1.974 7.448 1.00 0.00 N ATOM 353 CA SER A 25 5.413 -2.580 6.517 1.00 0.00 C ATOM 354 C SER A 25 6.259 -1.512 5.829 1.00 0.00 C ATOM 355 O SER A 25 7.386 -1.772 5.409 1.00 0.00 O ATOM 356 CB SER A 25 4.668 -3.409 5.470 1.00 0.00 C ATOM 357 OG SER A 25 5.546 -4.302 4.807 1.00 0.00 O ATOM 0 H SER A 25 3.498 -1.992 7.136 1.00 0.00 H new ATOM 0 HA SER A 25 6.075 -3.234 7.084 1.00 0.00 H new ATOM 0 HB2 SER A 25 3.867 -3.971 5.950 1.00 0.00 H new ATOM 0 HB3 SER A 25 4.201 -2.746 4.742 1.00 0.00 H new ATOM 0 HG SER A 25 5.924 -3.863 4.016 1.00 0.00 H new ATOM 363 N PHE A 26 5.705 -0.309 5.717 1.00 0.00 N ATOM 364 CA PHE A 26 6.406 0.799 5.079 1.00 0.00 C ATOM 365 C PHE A 26 7.594 1.249 5.924 1.00 0.00 C ATOM 366 O PHE A 26 8.629 1.651 5.394 1.00 0.00 O ATOM 367 CB PHE A 26 5.451 1.973 4.855 1.00 0.00 C ATOM 368 CG PHE A 26 6.071 3.115 4.101 1.00 0.00 C ATOM 369 CD1 PHE A 26 6.635 2.912 2.851 1.00 0.00 C ATOM 370 CD2 PHE A 26 6.091 4.390 4.642 1.00 0.00 C ATOM 371 CE1 PHE A 26 7.207 3.961 2.156 1.00 0.00 C ATOM 372 CE2 PHE A 26 6.661 5.443 3.951 1.00 0.00 C ATOM 373 CZ PHE A 26 7.219 5.228 2.706 1.00 0.00 C ATOM 0 H PHE A 26 4.773 -0.077 6.060 1.00 0.00 H new ATOM 0 HA PHE A 26 6.779 0.454 4.115 1.00 0.00 H new ATOM 0 HB2 PHE A 26 4.576 1.620 4.309 1.00 0.00 H new ATOM 0 HB3 PHE A 26 5.099 2.334 5.821 1.00 0.00 H new ATOM 0 HD1 PHE A 26 6.627 1.924 2.416 1.00 0.00 H new ATOM 0 HD2 PHE A 26 5.656 4.564 5.615 1.00 0.00 H new ATOM 0 HE1 PHE A 26 7.644 3.790 1.183 1.00 0.00 H new ATOM 0 HE2 PHE A 26 6.670 6.432 4.384 1.00 0.00 H new ATOM 0 HZ PHE A 26 7.664 6.049 2.163 1.00 0.00 H new ATOM 383 N ALA A 27 7.436 1.178 7.241 1.00 0.00 N ATOM 384 CA ALA A 27 8.495 1.577 8.160 1.00 0.00 C ATOM 385 C ALA A 27 9.773 0.786 7.901 1.00 0.00 C ATOM 386 O ALA A 27 10.868 1.348 7.882 1.00 0.00 O ATOM 387 CB ALA A 27 8.041 1.392 9.601 1.00 0.00 C ATOM 0 H ALA A 27 6.585 0.848 7.696 1.00 0.00 H new ATOM 0 HA ALA A 27 8.711 2.632 7.991 1.00 0.00 H new ATOM 0 HB1 ALA A 27 8.842 1.694 10.276 1.00 0.00 H new ATOM 0 HB2 ALA A 27 7.159 2.006 9.786 1.00 0.00 H new ATOM 0 HB3 ALA A 27 7.796 0.344 9.774 1.00 0.00 H new ATOM 393 N GLN A 28 9.626 -0.520 7.703 1.00 0.00 N ATOM 394 CA GLN A 28 10.769 -1.388 7.447 1.00 0.00 C ATOM 395 C GLN A 28 11.377 -1.098 6.078 1.00 0.00 C ATOM 396 O GLN A 28 12.587 -0.918 5.951 1.00 0.00 O ATOM 397 CB GLN A 28 10.351 -2.857 7.532 1.00 0.00 C ATOM 398 CG GLN A 28 10.136 -3.346 8.955 1.00 0.00 C ATOM 399 CD GLN A 28 11.432 -3.473 9.731 1.00 0.00 C ATOM 400 OE1 GLN A 28 12.495 -3.072 9.257 1.00 0.00 O ATOM 401 NE2 GLN A 28 11.350 -4.033 10.933 1.00 0.00 N ATOM 0 H GLN A 28 8.726 -1.000 7.715 1.00 0.00 H new ATOM 0 HA GLN A 28 11.522 -1.188 8.209 1.00 0.00 H new ATOM 0 HB2 GLN A 28 9.431 -2.998 6.965 1.00 0.00 H new ATOM 0 HB3 GLN A 28 11.115 -3.472 7.057 1.00 0.00 H new ATOM 0 HG2 GLN A 28 9.472 -2.656 9.476 1.00 0.00 H new ATOM 0 HG3 GLN A 28 9.635 -4.314 8.931 1.00 0.00 H new ATOM 0 HE21 GLN A 28 10.448 -4.351 11.287 1.00 0.00 H new ATOM 0 HE22 GLN A 28 12.189 -4.145 11.502 1.00 0.00 H new ATOM 410 N ASN A 29 10.527 -1.054 5.057 1.00 0.00 N ATOM 411 CA ASN A 29 10.981 -0.787 3.697 1.00 0.00 C ATOM 412 C ASN A 29 9.881 -0.118 2.878 1.00 0.00 C ATOM 413 O ASN A 29 8.703 -0.463 2.976 1.00 0.00 O ATOM 414 CB ASN A 29 11.418 -2.087 3.018 1.00 0.00 C ATOM 415 CG ASN A 29 12.389 -1.846 1.879 1.00 0.00 C ATOM 416 OD1 ASN A 29 13.534 -1.449 2.098 1.00 0.00 O ATOM 417 ND2 ASN A 29 11.936 -2.086 0.654 1.00 0.00 N ATOM 0 H ASN A 29 9.521 -1.200 5.145 1.00 0.00 H new ATOM 0 HA ASN A 29 11.833 -0.109 3.752 1.00 0.00 H new ATOM 0 HB2 ASN A 29 11.883 -2.741 3.756 1.00 0.00 H new ATOM 0 HB3 ASN A 29 10.539 -2.609 2.639 1.00 0.00 H new ATOM 0 HD21 ASN A 29 12.544 -1.942 -0.152 1.00 0.00 H new ATOM 0 HD22 ASN A 29 10.980 -2.414 0.519 1.00 0.00 H new ATOM 424 N PRO A 30 10.272 0.862 2.051 1.00 0.00 N ATOM 425 CA PRO A 30 9.335 1.600 1.198 1.00 0.00 C ATOM 426 C PRO A 30 8.776 0.739 0.071 1.00 0.00 C ATOM 427 O PRO A 30 7.608 0.864 -0.299 1.00 0.00 O ATOM 428 CB PRO A 30 10.191 2.735 0.630 1.00 0.00 C ATOM 429 CG PRO A 30 11.587 2.215 0.673 1.00 0.00 C ATOM 430 CD PRO A 30 11.660 1.326 1.883 1.00 0.00 C ATOM 0 HA PRO A 30 8.462 1.943 1.753 1.00 0.00 H new ATOM 0 HB2 PRO A 30 9.893 2.984 -0.388 1.00 0.00 H new ATOM 0 HB3 PRO A 30 10.088 3.643 1.224 1.00 0.00 H new ATOM 0 HG2 PRO A 30 11.825 1.660 -0.234 1.00 0.00 H new ATOM 0 HG3 PRO A 30 12.306 3.031 0.745 1.00 0.00 H new ATOM 0 HD2 PRO A 30 12.346 0.493 1.729 1.00 0.00 H new ATOM 0 HD3 PRO A 30 12.011 1.870 2.760 1.00 0.00 H new ATOM 438 N LEU A 31 9.615 -0.136 -0.471 1.00 0.00 N ATOM 439 CA LEU A 31 9.204 -1.020 -1.557 1.00 0.00 C ATOM 440 C LEU A 31 9.494 -2.477 -1.212 1.00 0.00 C ATOM 441 O LEU A 31 10.550 -3.020 -1.540 1.00 0.00 O ATOM 442 CB LEU A 31 9.923 -0.637 -2.852 1.00 0.00 C ATOM 443 CG LEU A 31 9.427 0.633 -3.544 1.00 0.00 C ATOM 444 CD1 LEU A 31 10.109 0.807 -4.892 1.00 0.00 C ATOM 445 CD2 LEU A 31 7.915 0.595 -3.710 1.00 0.00 C ATOM 0 H LEU A 31 10.585 -0.253 -0.177 1.00 0.00 H new ATOM 0 HA LEU A 31 8.129 -0.907 -1.698 1.00 0.00 H new ATOM 0 HB2 LEU A 31 10.984 -0.517 -2.633 1.00 0.00 H new ATOM 0 HB3 LEU A 31 9.834 -1.467 -3.553 1.00 0.00 H new ATOM 0 HG LEU A 31 9.682 1.488 -2.918 1.00 0.00 H new ATOM 0 HD11 LEU A 31 9.744 1.716 -5.370 1.00 0.00 H new ATOM 0 HD12 LEU A 31 11.187 0.881 -4.748 1.00 0.00 H new ATOM 0 HD13 LEU A 31 9.886 -0.051 -5.526 1.00 0.00 H new ATOM 0 HD21 LEU A 31 7.580 1.507 -4.204 1.00 0.00 H new ATOM 0 HD22 LEU A 31 7.637 -0.268 -4.314 1.00 0.00 H new ATOM 0 HD23 LEU A 31 7.443 0.519 -2.730 1.00 0.00 H new ATOM 457 N PRO A 32 8.535 -3.128 -0.537 1.00 0.00 N ATOM 458 CA PRO A 32 8.663 -4.532 -0.136 1.00 0.00 C ATOM 459 C PRO A 32 8.606 -5.483 -1.327 1.00 0.00 C ATOM 460 O PRO A 32 7.627 -5.500 -2.074 1.00 0.00 O ATOM 461 CB PRO A 32 7.457 -4.750 0.781 1.00 0.00 C ATOM 462 CG PRO A 32 6.458 -3.737 0.341 1.00 0.00 C ATOM 463 CD PRO A 32 7.252 -2.543 -0.113 1.00 0.00 C ATOM 0 HA PRO A 32 9.621 -4.734 0.342 1.00 0.00 H new ATOM 0 HB2 PRO A 32 7.064 -5.762 0.684 1.00 0.00 H new ATOM 0 HB3 PRO A 32 7.726 -4.612 1.828 1.00 0.00 H new ATOM 0 HG2 PRO A 32 5.839 -4.125 -0.468 1.00 0.00 H new ATOM 0 HG3 PRO A 32 5.786 -3.471 1.157 1.00 0.00 H new ATOM 0 HD2 PRO A 32 6.758 -2.020 -0.932 1.00 0.00 H new ATOM 0 HD3 PRO A 32 7.386 -1.820 0.692 1.00 0.00 H new ATOM 471 N LEU A 33 9.661 -6.273 -1.498 1.00 0.00 N ATOM 472 CA LEU A 33 9.730 -7.227 -2.599 1.00 0.00 C ATOM 473 C LEU A 33 8.485 -8.108 -2.636 1.00 0.00 C ATOM 474 O LEU A 33 7.548 -7.907 -1.863 1.00 0.00 O ATOM 475 CB LEU A 33 10.981 -8.098 -2.466 1.00 0.00 C ATOM 476 CG LEU A 33 12.321 -7.368 -2.566 1.00 0.00 C ATOM 477 CD1 LEU A 33 13.466 -8.303 -2.208 1.00 0.00 C ATOM 478 CD2 LEU A 33 12.513 -6.797 -3.964 1.00 0.00 C ATOM 0 H LEU A 33 10.479 -6.272 -0.889 1.00 0.00 H new ATOM 0 HA LEU A 33 9.782 -6.665 -3.532 1.00 0.00 H new ATOM 0 HB2 LEU A 33 10.941 -8.612 -1.506 1.00 0.00 H new ATOM 0 HB3 LEU A 33 10.949 -8.865 -3.240 1.00 0.00 H new ATOM 0 HG LEU A 33 12.318 -6.542 -1.855 1.00 0.00 H new ATOM 0 HD11 LEU A 33 14.412 -7.766 -2.285 1.00 0.00 H new ATOM 0 HD12 LEU A 33 13.335 -8.664 -1.188 1.00 0.00 H new ATOM 0 HD13 LEU A 33 13.473 -9.150 -2.895 1.00 0.00 H new ATOM 0 HD21 LEU A 33 13.472 -6.281 -4.018 1.00 0.00 H new ATOM 0 HD22 LEU A 33 12.496 -7.607 -4.693 1.00 0.00 H new ATOM 0 HD23 LEU A 33 11.709 -6.094 -4.183 1.00 0.00 H new ATOM 490 N ASP A 34 8.484 -9.084 -3.537 1.00 0.00 N ATOM 491 CA ASP A 34 7.355 -9.997 -3.672 1.00 0.00 C ATOM 492 C ASP A 34 7.177 -10.832 -2.408 1.00 0.00 C ATOM 493 O ASP A 34 6.053 -11.109 -1.990 1.00 0.00 O ATOM 494 CB ASP A 34 7.557 -10.915 -4.879 1.00 0.00 C ATOM 495 CG ASP A 34 9.022 -11.180 -5.167 1.00 0.00 C ATOM 496 OD1 ASP A 34 9.791 -11.373 -4.202 1.00 0.00 O ATOM 497 OD2 ASP A 34 9.399 -11.195 -6.357 1.00 0.00 O ATOM 0 H ASP A 34 9.252 -9.263 -4.184 1.00 0.00 H new ATOM 0 HA ASP A 34 6.454 -9.402 -3.823 1.00 0.00 H new ATOM 0 HB2 ASP A 34 7.048 -11.862 -4.701 1.00 0.00 H new ATOM 0 HB3 ASP A 34 7.093 -10.464 -5.756 1.00 0.00 H new ATOM 502 N GLU A 35 8.292 -11.229 -1.804 1.00 0.00 N ATOM 503 CA GLU A 35 8.258 -12.033 -0.588 1.00 0.00 C ATOM 504 C GLU A 35 7.661 -11.241 0.571 1.00 0.00 C ATOM 505 O GLU A 35 6.880 -11.771 1.361 1.00 0.00 O ATOM 506 CB GLU A 35 9.666 -12.508 -0.224 1.00 0.00 C ATOM 507 CG GLU A 35 10.629 -11.375 0.086 1.00 0.00 C ATOM 508 CD GLU A 35 11.957 -11.869 0.628 1.00 0.00 C ATOM 509 OE1 GLU A 35 12.870 -12.125 -0.184 1.00 0.00 O ATOM 510 OE2 GLU A 35 12.081 -12.001 1.863 1.00 0.00 O ATOM 0 H GLU A 35 9.230 -11.007 -2.137 1.00 0.00 H new ATOM 0 HA GLU A 35 7.627 -12.902 -0.775 1.00 0.00 H new ATOM 0 HB2 GLU A 35 9.605 -13.169 0.641 1.00 0.00 H new ATOM 0 HB3 GLU A 35 10.066 -13.098 -1.049 1.00 0.00 H new ATOM 0 HG2 GLU A 35 10.804 -10.794 -0.820 1.00 0.00 H new ATOM 0 HG3 GLU A 35 10.172 -10.703 0.812 1.00 0.00 H new ATOM 517 N GLU A 36 8.035 -9.969 0.666 1.00 0.00 N ATOM 518 CA GLU A 36 7.537 -9.104 1.729 1.00 0.00 C ATOM 519 C GLU A 36 6.092 -8.691 1.464 1.00 0.00 C ATOM 520 O GLU A 36 5.360 -8.326 2.384 1.00 0.00 O ATOM 521 CB GLU A 36 8.419 -7.860 1.860 1.00 0.00 C ATOM 522 CG GLU A 36 8.040 -6.966 3.029 1.00 0.00 C ATOM 523 CD GLU A 36 9.061 -5.873 3.281 1.00 0.00 C ATOM 524 OE1 GLU A 36 10.179 -5.966 2.734 1.00 0.00 O ATOM 525 OE2 GLU A 36 8.740 -4.924 4.027 1.00 0.00 O ATOM 0 H GLU A 36 8.681 -9.515 0.020 1.00 0.00 H new ATOM 0 HA GLU A 36 7.570 -9.664 2.663 1.00 0.00 H new ATOM 0 HB2 GLU A 36 9.457 -8.171 1.973 1.00 0.00 H new ATOM 0 HB3 GLU A 36 8.358 -7.283 0.937 1.00 0.00 H new ATOM 0 HG2 GLU A 36 7.068 -6.513 2.835 1.00 0.00 H new ATOM 0 HG3 GLU A 36 7.934 -7.574 3.928 1.00 0.00 H new ATOM 532 N LEU A 37 5.689 -8.751 0.199 1.00 0.00 N ATOM 533 CA LEU A 37 4.332 -8.383 -0.189 1.00 0.00 C ATOM 534 C LEU A 37 3.387 -9.573 -0.059 1.00 0.00 C ATOM 535 O LEU A 37 2.236 -9.422 0.352 1.00 0.00 O ATOM 536 CB LEU A 37 4.316 -7.860 -1.627 1.00 0.00 C ATOM 537 CG LEU A 37 4.711 -6.394 -1.812 1.00 0.00 C ATOM 538 CD1 LEU A 37 4.822 -6.054 -3.290 1.00 0.00 C ATOM 539 CD2 LEU A 37 3.706 -5.480 -1.126 1.00 0.00 C ATOM 0 H LEU A 37 6.282 -9.051 -0.575 1.00 0.00 H new ATOM 0 HA LEU A 37 3.990 -7.595 0.482 1.00 0.00 H new ATOM 0 HB2 LEU A 37 4.989 -8.475 -2.224 1.00 0.00 H new ATOM 0 HB3 LEU A 37 3.314 -7.999 -2.032 1.00 0.00 H new ATOM 0 HG LEU A 37 5.686 -6.239 -1.350 1.00 0.00 H new ATOM 0 HD11 LEU A 37 5.104 -5.007 -3.402 1.00 0.00 H new ATOM 0 HD12 LEU A 37 5.580 -6.686 -3.753 1.00 0.00 H new ATOM 0 HD13 LEU A 37 3.861 -6.225 -3.776 1.00 0.00 H new ATOM 0 HD21 LEU A 37 4.003 -4.441 -1.268 1.00 0.00 H new ATOM 0 HD22 LEU A 37 2.718 -5.637 -1.558 1.00 0.00 H new ATOM 0 HD23 LEU A 37 3.677 -5.706 -0.060 1.00 0.00 H new ATOM 551 N ASP A 38 3.881 -10.755 -0.409 1.00 0.00 N ATOM 552 CA ASP A 38 3.081 -11.972 -0.328 1.00 0.00 C ATOM 553 C ASP A 38 2.422 -12.099 1.042 1.00 0.00 C ATOM 554 O ASP A 38 1.282 -12.551 1.154 1.00 0.00 O ATOM 555 CB ASP A 38 3.951 -13.199 -0.605 1.00 0.00 C ATOM 556 CG ASP A 38 3.164 -14.493 -0.541 1.00 0.00 C ATOM 557 OD1 ASP A 38 2.987 -15.025 0.574 1.00 0.00 O ATOM 558 OD2 ASP A 38 2.727 -14.975 -1.608 1.00 0.00 O ATOM 0 H ASP A 38 4.831 -10.897 -0.751 1.00 0.00 H new ATOM 0 HA ASP A 38 2.298 -11.914 -1.084 1.00 0.00 H new ATOM 0 HB2 ASP A 38 4.407 -13.103 -1.590 1.00 0.00 H new ATOM 0 HB3 ASP A 38 4.764 -13.235 0.120 1.00 0.00 H new ATOM 563 N ARG A 39 3.147 -11.699 2.081 1.00 0.00 N ATOM 564 CA ARG A 39 2.634 -11.770 3.444 1.00 0.00 C ATOM 565 C ARG A 39 1.578 -10.695 3.684 1.00 0.00 C ATOM 566 O ARG A 39 0.454 -10.994 4.090 1.00 0.00 O ATOM 567 CB ARG A 39 3.775 -11.612 4.451 1.00 0.00 C ATOM 568 CG ARG A 39 3.415 -12.064 5.856 1.00 0.00 C ATOM 569 CD ARG A 39 3.064 -13.543 5.892 1.00 0.00 C ATOM 570 NE ARG A 39 3.328 -14.137 7.200 1.00 0.00 N ATOM 571 CZ ARG A 39 3.525 -15.436 7.392 1.00 0.00 C ATOM 572 NH1 ARG A 39 3.488 -16.274 6.365 1.00 0.00 N ATOM 573 NH2 ARG A 39 3.759 -15.901 8.612 1.00 0.00 N ATOM 0 H ARG A 39 4.092 -11.322 2.005 1.00 0.00 H new ATOM 0 HA ARG A 39 2.171 -12.747 3.580 1.00 0.00 H new ATOM 0 HB2 ARG A 39 4.636 -12.184 4.104 1.00 0.00 H new ATOM 0 HB3 ARG A 39 4.079 -10.566 4.482 1.00 0.00 H new ATOM 0 HG2 ARG A 39 4.252 -11.871 6.527 1.00 0.00 H new ATOM 0 HG3 ARG A 39 2.571 -11.480 6.223 1.00 0.00 H new ATOM 0 HD2 ARG A 39 2.011 -13.672 5.641 1.00 0.00 H new ATOM 0 HD3 ARG A 39 3.640 -14.071 5.131 1.00 0.00 H new ATOM 0 HE ARG A 39 3.363 -13.520 8.011 1.00 0.00 H new ATOM 0 HH11 ARG A 39 3.308 -15.921 5.425 1.00 0.00 H new ATOM 0 HH12 ARG A 39 3.640 -17.271 6.515 1.00 0.00 H new ATOM 0 HH21 ARG A 39 3.788 -15.260 9.405 1.00 0.00 H new ATOM 0 HH22 ARG A 39 3.910 -16.899 8.757 1.00 0.00 H new ATOM 587 N LEU A 40 1.946 -9.444 3.431 1.00 0.00 N ATOM 588 CA LEU A 40 1.030 -8.324 3.620 1.00 0.00 C ATOM 589 C LEU A 40 -0.286 -8.568 2.889 1.00 0.00 C ATOM 590 O LEU A 40 -1.362 -8.279 3.414 1.00 0.00 O ATOM 591 CB LEU A 40 1.670 -7.027 3.121 1.00 0.00 C ATOM 592 CG LEU A 40 2.945 -6.588 3.842 1.00 0.00 C ATOM 593 CD1 LEU A 40 3.789 -5.700 2.941 1.00 0.00 C ATOM 594 CD2 LEU A 40 2.603 -5.864 5.137 1.00 0.00 C ATOM 0 H LEU A 40 2.872 -9.179 3.095 1.00 0.00 H new ATOM 0 HA LEU A 40 0.821 -8.233 4.686 1.00 0.00 H new ATOM 0 HB2 LEU A 40 1.897 -7.141 2.061 1.00 0.00 H new ATOM 0 HB3 LEU A 40 0.935 -6.227 3.205 1.00 0.00 H new ATOM 0 HG LEU A 40 3.525 -7.478 4.088 1.00 0.00 H new ATOM 0 HD11 LEU A 40 4.692 -5.397 3.471 1.00 0.00 H new ATOM 0 HD12 LEU A 40 4.064 -6.251 2.041 1.00 0.00 H new ATOM 0 HD13 LEU A 40 3.217 -4.814 2.664 1.00 0.00 H new ATOM 0 HD21 LEU A 40 3.522 -5.559 5.637 1.00 0.00 H new ATOM 0 HD22 LEU A 40 2.002 -4.983 4.913 1.00 0.00 H new ATOM 0 HD23 LEU A 40 2.040 -6.531 5.789 1.00 0.00 H new ATOM 606 N ARG A 41 -0.194 -9.104 1.677 1.00 0.00 N ATOM 607 CA ARG A 41 -1.378 -9.388 0.875 1.00 0.00 C ATOM 608 C ARG A 41 -2.448 -10.083 1.712 1.00 0.00 C ATOM 609 O ARG A 41 -3.638 -10.006 1.404 1.00 0.00 O ATOM 610 CB ARG A 41 -1.009 -10.260 -0.327 1.00 0.00 C ATOM 611 CG ARG A 41 -0.550 -9.466 -1.539 1.00 0.00 C ATOM 612 CD ARG A 41 -0.734 -10.256 -2.825 1.00 0.00 C ATOM 613 NE ARG A 41 -2.127 -10.642 -3.035 1.00 0.00 N ATOM 614 CZ ARG A 41 -2.507 -11.583 -3.893 1.00 0.00 C ATOM 615 NH1 ARG A 41 -1.603 -12.230 -4.615 1.00 0.00 N ATOM 616 NH2 ARG A 41 -3.794 -11.878 -4.028 1.00 0.00 N ATOM 0 H ARG A 41 0.688 -9.351 1.228 1.00 0.00 H new ATOM 0 HA ARG A 41 -1.780 -8.440 0.518 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -0.218 -10.950 -0.035 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -1.872 -10.864 -0.605 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -1.113 -8.534 -1.599 1.00 0.00 H new ATOM 0 HG3 ARG A 41 0.500 -9.197 -1.423 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -0.392 -9.658 -3.670 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -0.111 -11.150 -2.794 1.00 0.00 H new ATOM 0 HE ARG A 41 -2.847 -10.163 -2.494 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -0.613 -12.006 -4.513 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -1.897 -12.952 -5.273 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -4.492 -11.382 -3.473 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -4.085 -12.600 -4.687 1.00 0.00 H new ATOM 630 N SER A 42 -2.016 -10.760 2.771 1.00 0.00 N ATOM 631 CA SER A 42 -2.936 -11.472 3.650 1.00 0.00 C ATOM 632 C SER A 42 -3.622 -10.508 4.614 1.00 0.00 C ATOM 633 O SER A 42 -4.805 -10.656 4.919 1.00 0.00 O ATOM 634 CB SER A 42 -2.191 -12.553 4.435 1.00 0.00 C ATOM 635 OG SER A 42 -1.692 -13.559 3.571 1.00 0.00 O ATOM 0 H SER A 42 -1.035 -10.830 3.041 1.00 0.00 H new ATOM 0 HA SER A 42 -3.699 -11.944 3.031 1.00 0.00 H new ATOM 0 HB2 SER A 42 -1.367 -12.102 4.988 1.00 0.00 H new ATOM 0 HB3 SER A 42 -2.861 -13.000 5.170 1.00 0.00 H new ATOM 0 HG SER A 42 -1.219 -14.237 4.097 1.00 0.00 H new ATOM 641 N GLU A 43 -2.868 -9.522 5.090 1.00 0.00 N ATOM 642 CA GLU A 43 -3.403 -8.534 6.020 1.00 0.00 C ATOM 643 C GLU A 43 -4.257 -7.503 5.288 1.00 0.00 C ATOM 644 O GLU A 43 -5.398 -7.241 5.668 1.00 0.00 O ATOM 645 CB GLU A 43 -2.264 -7.834 6.765 1.00 0.00 C ATOM 646 CG GLU A 43 -1.363 -8.786 7.533 1.00 0.00 C ATOM 647 CD GLU A 43 -0.702 -8.127 8.728 1.00 0.00 C ATOM 648 OE1 GLU A 43 0.018 -7.126 8.531 1.00 0.00 O ATOM 649 OE2 GLU A 43 -0.905 -8.613 9.860 1.00 0.00 O ATOM 0 H GLU A 43 -1.887 -9.386 4.848 1.00 0.00 H new ATOM 0 HA GLU A 43 -4.033 -9.055 6.741 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -1.662 -7.276 6.048 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -2.687 -7.108 7.459 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -1.949 -9.641 7.872 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -0.594 -9.172 6.864 1.00 0.00 H new ATOM 656 N THR A 44 -3.695 -6.919 4.234 1.00 0.00 N ATOM 657 CA THR A 44 -4.402 -5.916 3.449 1.00 0.00 C ATOM 658 C THR A 44 -5.494 -6.553 2.598 1.00 0.00 C ATOM 659 O THR A 44 -6.432 -5.881 2.168 1.00 0.00 O ATOM 660 CB THR A 44 -3.439 -5.139 2.531 1.00 0.00 C ATOM 661 OG1 THR A 44 -2.735 -6.049 1.677 1.00 0.00 O ATOM 662 CG2 THR A 44 -2.443 -4.332 3.350 1.00 0.00 C ATOM 0 H THR A 44 -2.752 -7.124 3.905 1.00 0.00 H new ATOM 0 HA THR A 44 -4.855 -5.223 4.157 1.00 0.00 H new ATOM 0 HB THR A 44 -4.027 -4.451 1.923 1.00 0.00 H new ATOM 0 HG1 THR A 44 -1.852 -5.681 1.464 1.00 0.00 H new ATOM 0 HG21 THR A 44 -1.774 -3.792 2.680 1.00 0.00 H new ATOM 0 HG22 THR A 44 -2.980 -3.621 3.978 1.00 0.00 H new ATOM 0 HG23 THR A 44 -1.861 -5.004 3.980 1.00 0.00 H new ATOM 670 N LYS A 45 -5.367 -7.853 2.357 1.00 0.00 N ATOM 671 CA LYS A 45 -6.344 -8.584 1.559 1.00 0.00 C ATOM 672 C LYS A 45 -6.495 -7.956 0.176 1.00 0.00 C ATOM 673 O LYS A 45 -7.553 -8.049 -0.446 1.00 0.00 O ATOM 674 CB LYS A 45 -7.699 -8.607 2.270 1.00 0.00 C ATOM 675 CG LYS A 45 -7.700 -9.426 3.549 1.00 0.00 C ATOM 676 CD LYS A 45 -7.523 -10.908 3.264 1.00 0.00 C ATOM 677 CE LYS A 45 -8.039 -11.762 4.411 1.00 0.00 C ATOM 678 NZ LYS A 45 -7.839 -13.215 4.155 1.00 0.00 N ATOM 0 H LYS A 45 -4.596 -8.423 2.704 1.00 0.00 H new ATOM 0 HA LYS A 45 -5.986 -9.606 1.438 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -7.995 -7.584 2.503 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -8.450 -9.009 1.590 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -6.898 -9.082 4.203 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -8.637 -9.267 4.083 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -8.053 -11.169 2.348 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -6.468 -11.123 3.095 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -7.527 -11.482 5.331 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -9.100 -11.563 4.563 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -8.204 -13.763 4.960 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -8.349 -13.489 3.291 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -6.825 -13.410 4.035 1.00 0.00 H new ATOM 692 N MET A 46 -5.429 -7.320 -0.299 1.00 0.00 N ATOM 693 CA MET A 46 -5.443 -6.680 -1.609 1.00 0.00 C ATOM 694 C MET A 46 -4.590 -7.460 -2.604 1.00 0.00 C ATOM 695 O MET A 46 -3.998 -8.484 -2.262 1.00 0.00 O ATOM 696 CB MET A 46 -4.936 -5.241 -1.503 1.00 0.00 C ATOM 697 CG MET A 46 -5.729 -4.388 -0.526 1.00 0.00 C ATOM 698 SD MET A 46 -5.529 -2.621 -0.826 1.00 0.00 S ATOM 699 CE MET A 46 -3.747 -2.463 -0.744 1.00 0.00 C ATOM 0 H MET A 46 -4.545 -7.234 0.203 1.00 0.00 H new ATOM 0 HA MET A 46 -6.472 -6.669 -1.969 1.00 0.00 H new ATOM 0 HB2 MET A 46 -3.890 -5.255 -1.195 1.00 0.00 H new ATOM 0 HB3 MET A 46 -4.972 -4.778 -2.489 1.00 0.00 H new ATOM 0 HG2 MET A 46 -6.785 -4.647 -0.597 1.00 0.00 H new ATOM 0 HG3 MET A 46 -5.412 -4.618 0.491 1.00 0.00 H new ATOM 0 HE1 MET A 46 -3.478 -1.409 -0.678 1.00 0.00 H new ATOM 0 HE2 MET A 46 -3.375 -2.988 0.136 1.00 0.00 H new ATOM 0 HE3 MET A 46 -3.302 -2.896 -1.640 1.00 0.00 H new ATOM 709 N THR A 47 -4.531 -6.970 -3.839 1.00 0.00 N ATOM 710 CA THR A 47 -3.751 -7.622 -4.883 1.00 0.00 C ATOM 711 C THR A 47 -2.445 -6.878 -5.140 1.00 0.00 C ATOM 712 O THR A 47 -2.340 -5.680 -4.876 1.00 0.00 O ATOM 713 CB THR A 47 -4.543 -7.714 -6.201 1.00 0.00 C ATOM 714 OG1 THR A 47 -5.222 -6.478 -6.452 1.00 0.00 O ATOM 715 CG2 THR A 47 -5.553 -8.850 -6.147 1.00 0.00 C ATOM 0 H THR A 47 -5.014 -6.124 -4.140 1.00 0.00 H new ATOM 0 HA THR A 47 -3.529 -8.629 -4.529 1.00 0.00 H new ATOM 0 HB THR A 47 -3.839 -7.912 -7.009 1.00 0.00 H new ATOM 0 HG1 THR A 47 -5.996 -6.403 -5.856 1.00 0.00 H new ATOM 0 HG21 THR A 47 -6.100 -8.895 -7.089 1.00 0.00 H new ATOM 0 HG22 THR A 47 -5.031 -9.793 -5.985 1.00 0.00 H new ATOM 0 HG23 THR A 47 -6.252 -8.677 -5.329 1.00 0.00 H new ATOM 723 N ARG A 48 -1.453 -7.596 -5.656 1.00 0.00 N ATOM 724 CA ARG A 48 -0.153 -7.003 -5.947 1.00 0.00 C ATOM 725 C ARG A 48 -0.314 -5.648 -6.630 1.00 0.00 C ATOM 726 O ARG A 48 0.417 -4.702 -6.335 1.00 0.00 O ATOM 727 CB ARG A 48 0.670 -7.939 -6.834 1.00 0.00 C ATOM 728 CG ARG A 48 1.547 -8.904 -6.053 1.00 0.00 C ATOM 729 CD ARG A 48 2.929 -8.322 -5.800 1.00 0.00 C ATOM 730 NE ARG A 48 3.867 -8.654 -6.868 1.00 0.00 N ATOM 731 CZ ARG A 48 4.945 -7.931 -7.151 1.00 0.00 C ATOM 732 NH1 ARG A 48 5.220 -6.841 -6.448 1.00 0.00 N ATOM 733 NH2 ARG A 48 5.751 -8.299 -8.139 1.00 0.00 N ATOM 0 H ARG A 48 -1.524 -8.588 -5.881 1.00 0.00 H new ATOM 0 HA ARG A 48 0.371 -6.854 -5.003 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -0.006 -8.510 -7.471 1.00 0.00 H new ATOM 0 HB3 ARG A 48 1.300 -7.341 -7.493 1.00 0.00 H new ATOM 0 HG2 ARG A 48 1.071 -9.141 -5.101 1.00 0.00 H new ATOM 0 HG3 ARG A 48 1.641 -9.840 -6.604 1.00 0.00 H new ATOM 0 HD2 ARG A 48 2.854 -7.239 -5.707 1.00 0.00 H new ATOM 0 HD3 ARG A 48 3.312 -8.698 -4.851 1.00 0.00 H new ATOM 0 HE ARG A 48 3.685 -9.487 -7.428 1.00 0.00 H new ATOM 0 HH11 ARG A 48 4.603 -6.556 -5.687 1.00 0.00 H new ATOM 0 HH12 ARG A 48 6.048 -6.288 -6.668 1.00 0.00 H new ATOM 0 HH21 ARG A 48 5.543 -9.137 -8.682 1.00 0.00 H new ATOM 0 HH22 ARG A 48 6.579 -7.743 -8.356 1.00 0.00 H new ATOM 747 N ARG A 49 -1.275 -5.563 -7.545 1.00 0.00 N ATOM 748 CA ARG A 49 -1.531 -4.325 -8.271 1.00 0.00 C ATOM 749 C ARG A 49 -2.072 -3.247 -7.335 1.00 0.00 C ATOM 750 O ARG A 49 -1.711 -2.077 -7.447 1.00 0.00 O ATOM 751 CB ARG A 49 -2.523 -4.572 -9.409 1.00 0.00 C ATOM 752 CG ARG A 49 -3.921 -4.928 -8.932 1.00 0.00 C ATOM 753 CD ARG A 49 -4.669 -5.754 -9.967 1.00 0.00 C ATOM 754 NE ARG A 49 -5.414 -4.915 -10.902 1.00 0.00 N ATOM 755 CZ ARG A 49 -6.627 -4.435 -10.652 1.00 0.00 C ATOM 756 NH1 ARG A 49 -7.229 -4.709 -9.504 1.00 0.00 N ATOM 757 NH2 ARG A 49 -7.241 -3.678 -11.553 1.00 0.00 N ATOM 0 H ARG A 49 -1.889 -6.337 -7.801 1.00 0.00 H new ATOM 0 HA ARG A 49 -0.587 -3.977 -8.690 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -2.577 -3.679 -10.032 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -2.147 -5.378 -10.039 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -3.857 -5.485 -7.997 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -4.478 -4.015 -8.721 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -3.960 -6.371 -10.519 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -5.356 -6.432 -9.462 1.00 0.00 H new ATOM 0 HE ARG A 49 -4.979 -4.685 -11.796 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -6.761 -5.290 -8.809 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -8.160 -4.339 -9.315 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -6.781 -3.464 -12.438 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -8.172 -3.310 -11.360 1.00 0.00 H new ATOM 771 N GLU A 50 -2.940 -3.653 -6.413 1.00 0.00 N ATOM 772 CA GLU A 50 -3.531 -2.721 -5.460 1.00 0.00 C ATOM 773 C GLU A 50 -2.486 -2.224 -4.466 1.00 0.00 C ATOM 774 O GLU A 50 -2.518 -1.068 -4.042 1.00 0.00 O ATOM 775 CB GLU A 50 -4.687 -3.389 -4.711 1.00 0.00 C ATOM 776 CG GLU A 50 -5.981 -3.434 -5.505 1.00 0.00 C ATOM 777 CD GLU A 50 -7.138 -3.999 -4.703 1.00 0.00 C ATOM 778 OE1 GLU A 50 -7.545 -3.353 -3.715 1.00 0.00 O ATOM 779 OE2 GLU A 50 -7.636 -5.085 -5.064 1.00 0.00 O ATOM 0 H GLU A 50 -3.249 -4.619 -6.306 1.00 0.00 H new ATOM 0 HA GLU A 50 -3.914 -1.865 -6.016 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -4.398 -4.406 -4.446 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -4.862 -2.854 -3.778 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -6.233 -2.428 -5.840 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -5.833 -4.040 -6.399 1.00 0.00 H new ATOM 786 N ILE A 51 -1.562 -3.105 -4.098 1.00 0.00 N ATOM 787 CA ILE A 51 -0.507 -2.756 -3.154 1.00 0.00 C ATOM 788 C ILE A 51 0.633 -2.021 -3.851 1.00 0.00 C ATOM 789 O ILE A 51 0.940 -0.875 -3.522 1.00 0.00 O ATOM 790 CB ILE A 51 0.056 -4.005 -2.452 1.00 0.00 C ATOM 791 CG1 ILE A 51 -1.041 -4.701 -1.644 1.00 0.00 C ATOM 792 CG2 ILE A 51 1.224 -3.626 -1.552 1.00 0.00 C ATOM 793 CD1 ILE A 51 -0.620 -6.040 -1.080 1.00 0.00 C ATOM 0 H ILE A 51 -1.522 -4.066 -4.439 1.00 0.00 H new ATOM 0 HA ILE A 51 -0.956 -2.101 -2.407 1.00 0.00 H new ATOM 0 HB ILE A 51 0.417 -4.698 -3.212 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -1.345 -4.050 -0.824 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -1.915 -4.842 -2.280 1.00 0.00 H new ATOM 0 HG21 ILE A 51 1.611 -4.520 -1.063 1.00 0.00 H new ATOM 0 HG22 ILE A 51 2.012 -3.170 -2.151 1.00 0.00 H new ATOM 0 HG23 ILE A 51 0.886 -2.916 -0.797 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -1.447 -6.475 -0.519 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -0.344 -6.708 -1.896 1.00 0.00 H new ATOM 0 HD13 ILE A 51 0.235 -5.903 -0.418 1.00 0.00 H new ATOM 805 N ASP A 52 1.256 -2.687 -4.817 1.00 0.00 N ATOM 806 CA ASP A 52 2.361 -2.097 -5.563 1.00 0.00 C ATOM 807 C ASP A 52 2.077 -0.633 -5.888 1.00 0.00 C ATOM 808 O ASP A 52 2.976 0.207 -5.851 1.00 0.00 O ATOM 809 CB ASP A 52 2.608 -2.879 -6.854 1.00 0.00 C ATOM 810 CG ASP A 52 4.018 -2.696 -7.381 1.00 0.00 C ATOM 811 OD1 ASP A 52 4.971 -2.830 -6.585 1.00 0.00 O ATOM 812 OD2 ASP A 52 4.168 -2.420 -8.589 1.00 0.00 O ATOM 0 H ASP A 52 1.014 -3.636 -5.102 1.00 0.00 H new ATOM 0 HA ASP A 52 3.254 -2.146 -4.940 1.00 0.00 H new ATOM 0 HB2 ASP A 52 2.425 -3.938 -6.674 1.00 0.00 H new ATOM 0 HB3 ASP A 52 1.895 -2.557 -7.613 1.00 0.00 H new ATOM 817 N SER A 53 0.821 -0.336 -6.206 1.00 0.00 N ATOM 818 CA SER A 53 0.419 1.025 -6.541 1.00 0.00 C ATOM 819 C SER A 53 0.410 1.911 -5.299 1.00 0.00 C ATOM 820 O SER A 53 0.872 3.052 -5.334 1.00 0.00 O ATOM 821 CB SER A 53 -0.965 1.025 -7.192 1.00 0.00 C ATOM 822 OG SER A 53 -1.528 2.326 -7.193 1.00 0.00 O ATOM 0 H SER A 53 0.065 -1.019 -6.239 1.00 0.00 H new ATOM 0 HA SER A 53 1.145 1.428 -7.247 1.00 0.00 H new ATOM 0 HB2 SER A 53 -0.889 0.657 -8.215 1.00 0.00 H new ATOM 0 HB3 SER A 53 -1.623 0.341 -6.656 1.00 0.00 H new ATOM 0 HG SER A 53 -2.412 2.300 -7.616 1.00 0.00 H new ATOM 828 N TRP A 54 -0.118 1.377 -4.204 1.00 0.00 N ATOM 829 CA TRP A 54 -0.188 2.118 -2.950 1.00 0.00 C ATOM 830 C TRP A 54 1.172 2.704 -2.587 1.00 0.00 C ATOM 831 O TRP A 54 1.355 3.921 -2.587 1.00 0.00 O ATOM 832 CB TRP A 54 -0.683 1.210 -1.823 1.00 0.00 C ATOM 833 CG TRP A 54 -0.850 1.922 -0.515 1.00 0.00 C ATOM 834 CD1 TRP A 54 -1.977 2.544 -0.058 1.00 0.00 C ATOM 835 CD2 TRP A 54 0.143 2.087 0.503 1.00 0.00 C ATOM 836 NE1 TRP A 54 -1.744 3.086 1.183 1.00 0.00 N ATOM 837 CE2 TRP A 54 -0.452 2.819 1.550 1.00 0.00 C ATOM 838 CE3 TRP A 54 1.475 1.687 0.633 1.00 0.00 C ATOM 839 CZ2 TRP A 54 0.242 3.157 2.708 1.00 0.00 C ATOM 840 CZ3 TRP A 54 2.163 2.024 1.784 1.00 0.00 C ATOM 841 CH2 TRP A 54 1.545 2.753 2.809 1.00 0.00 C ATOM 0 H TRP A 54 -0.504 0.434 -4.159 1.00 0.00 H new ATOM 0 HA TRP A 54 -0.893 2.939 -3.081 1.00 0.00 H new ATOM 0 HB2 TRP A 54 -1.637 0.770 -2.113 1.00 0.00 H new ATOM 0 HB3 TRP A 54 0.021 0.388 -1.693 1.00 0.00 H new ATOM 0 HD1 TRP A 54 -2.913 2.601 -0.593 1.00 0.00 H new ATOM 0 HE1 TRP A 54 -2.423 3.603 1.741 1.00 0.00 H new ATOM 0 HE3 TRP A 54 1.959 1.124 -0.152 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 -0.232 3.719 3.499 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 3.194 1.720 1.895 1.00 0.00 H new ATOM 0 HH2 TRP A 54 2.109 3.001 3.696 1.00 0.00 H new ATOM 852 N PHE A 55 2.124 1.829 -2.278 1.00 0.00 N ATOM 853 CA PHE A 55 3.468 2.260 -1.912 1.00 0.00 C ATOM 854 C PHE A 55 3.956 3.368 -2.841 1.00 0.00 C ATOM 855 O PHE A 55 4.157 4.506 -2.416 1.00 0.00 O ATOM 856 CB PHE A 55 4.437 1.077 -1.959 1.00 0.00 C ATOM 857 CG PHE A 55 4.415 0.235 -0.715 1.00 0.00 C ATOM 858 CD1 PHE A 55 5.097 0.637 0.422 1.00 0.00 C ATOM 859 CD2 PHE A 55 3.713 -0.959 -0.683 1.00 0.00 C ATOM 860 CE1 PHE A 55 5.079 -0.134 1.568 1.00 0.00 C ATOM 861 CE2 PHE A 55 3.691 -1.735 0.461 1.00 0.00 C ATOM 862 CZ PHE A 55 4.376 -1.323 1.588 1.00 0.00 C ATOM 0 H PHE A 55 1.989 0.818 -2.274 1.00 0.00 H new ATOM 0 HA PHE A 55 3.432 2.651 -0.895 1.00 0.00 H new ATOM 0 HB2 PHE A 55 4.192 0.451 -2.817 1.00 0.00 H new ATOM 0 HB3 PHE A 55 5.448 1.452 -2.117 1.00 0.00 H new ATOM 0 HD1 PHE A 55 5.650 1.565 0.412 1.00 0.00 H new ATOM 0 HD2 PHE A 55 3.177 -1.287 -1.561 1.00 0.00 H new ATOM 0 HE1 PHE A 55 5.614 0.192 2.448 1.00 0.00 H new ATOM 0 HE2 PHE A 55 3.139 -2.663 0.474 1.00 0.00 H new ATOM 0 HZ PHE A 55 4.362 -1.929 2.482 1.00 0.00 H new ATOM 872 N SER A 56 4.145 3.026 -4.112 1.00 0.00 N ATOM 873 CA SER A 56 4.613 3.989 -5.101 1.00 0.00 C ATOM 874 C SER A 56 3.869 5.314 -4.965 1.00 0.00 C ATOM 875 O SER A 56 4.368 6.363 -5.369 1.00 0.00 O ATOM 876 CB SER A 56 4.430 3.431 -6.514 1.00 0.00 C ATOM 877 OG SER A 56 4.818 4.381 -7.491 1.00 0.00 O ATOM 0 H SER A 56 3.981 2.089 -4.480 1.00 0.00 H new ATOM 0 HA SER A 56 5.673 4.168 -4.923 1.00 0.00 H new ATOM 0 HB2 SER A 56 5.022 2.523 -6.629 1.00 0.00 H new ATOM 0 HB3 SER A 56 3.387 3.153 -6.666 1.00 0.00 H new ATOM 0 HG SER A 56 4.693 4.000 -8.385 1.00 0.00 H new ATOM 883 N GLU A 57 2.670 5.256 -4.392 1.00 0.00 N ATOM 884 CA GLU A 57 1.856 6.450 -4.203 1.00 0.00 C ATOM 885 C GLU A 57 2.037 7.015 -2.797 1.00 0.00 C ATOM 886 O GLU A 57 1.855 8.211 -2.569 1.00 0.00 O ATOM 887 CB GLU A 57 0.380 6.133 -4.451 1.00 0.00 C ATOM 888 CG GLU A 57 -0.026 6.230 -5.912 1.00 0.00 C ATOM 889 CD GLU A 57 -1.511 6.483 -6.089 1.00 0.00 C ATOM 890 OE1 GLU A 57 -1.927 7.657 -5.992 1.00 0.00 O ATOM 891 OE2 GLU A 57 -2.256 5.509 -6.324 1.00 0.00 O ATOM 0 H GLU A 57 2.242 4.395 -4.051 1.00 0.00 H new ATOM 0 HA GLU A 57 2.185 7.200 -4.922 1.00 0.00 H new ATOM 0 HB2 GLU A 57 0.167 5.127 -4.090 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -0.233 6.818 -3.866 1.00 0.00 H new ATOM 0 HG2 GLU A 57 0.535 7.034 -6.389 1.00 0.00 H new ATOM 0 HG3 GLU A 57 0.245 5.306 -6.423 1.00 0.00 H new ATOM 898 N ARG A 58 2.395 6.145 -1.858 1.00 0.00 N ATOM 899 CA ARG A 58 2.598 6.556 -0.474 1.00 0.00 C ATOM 900 C ARG A 58 3.996 7.136 -0.278 1.00 0.00 C ATOM 901 O ARG A 58 4.150 8.309 0.063 1.00 0.00 O ATOM 902 CB ARG A 58 2.391 5.369 0.469 1.00 0.00 C ATOM 903 CG ARG A 58 2.728 5.676 1.919 1.00 0.00 C ATOM 904 CD ARG A 58 1.681 6.578 2.554 1.00 0.00 C ATOM 905 NE ARG A 58 2.116 7.092 3.850 1.00 0.00 N ATOM 906 CZ ARG A 58 1.371 7.881 4.616 1.00 0.00 C ATOM 907 NH1 ARG A 58 0.159 8.243 4.218 1.00 0.00 N ATOM 908 NH2 ARG A 58 1.836 8.308 5.783 1.00 0.00 N ATOM 0 H ARG A 58 2.550 5.152 -2.030 1.00 0.00 H new ATOM 0 HA ARG A 58 1.866 7.329 -0.241 1.00 0.00 H new ATOM 0 HB2 ARG A 58 1.352 5.044 0.407 1.00 0.00 H new ATOM 0 HB3 ARG A 58 3.007 4.536 0.131 1.00 0.00 H new ATOM 0 HG2 ARG A 58 2.799 4.746 2.482 1.00 0.00 H new ATOM 0 HG3 ARG A 58 3.705 6.156 1.973 1.00 0.00 H new ATOM 0 HD2 ARG A 58 1.468 7.412 1.886 1.00 0.00 H new ATOM 0 HD3 ARG A 58 0.751 6.023 2.678 1.00 0.00 H new ATOM 0 HE ARG A 58 3.043 6.831 4.185 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -0.203 7.915 3.322 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -0.412 8.849 4.808 1.00 0.00 H new ATOM 0 HH21 ARG A 58 2.767 8.030 6.093 1.00 0.00 H new ATOM 0 HH22 ARG A 58 1.262 8.914 6.370 1.00 0.00 H new ATOM 922 N ARG A 59 5.011 6.306 -0.497 1.00 0.00 N ATOM 923 CA ARG A 59 6.396 6.736 -0.344 1.00 0.00 C ATOM 924 C ARG A 59 6.645 8.044 -1.089 1.00 0.00 C ATOM 925 O ARG A 59 7.523 8.824 -0.720 1.00 0.00 O ATOM 926 CB ARG A 59 7.348 5.654 -0.857 1.00 0.00 C ATOM 927 CG ARG A 59 7.425 5.581 -2.373 1.00 0.00 C ATOM 928 CD ARG A 59 8.474 4.580 -2.830 1.00 0.00 C ATOM 929 NE ARG A 59 9.803 5.181 -2.919 1.00 0.00 N ATOM 930 CZ ARG A 59 10.144 6.075 -3.840 1.00 0.00 C ATOM 931 NH1 ARG A 59 9.260 6.470 -4.746 1.00 0.00 N ATOM 932 NH2 ARG A 59 11.373 6.576 -3.857 1.00 0.00 N ATOM 0 H ARG A 59 4.900 5.333 -0.781 1.00 0.00 H new ATOM 0 HA ARG A 59 6.584 6.902 0.717 1.00 0.00 H new ATOM 0 HB2 ARG A 59 8.345 5.841 -0.459 1.00 0.00 H new ATOM 0 HB3 ARG A 59 7.027 4.687 -0.471 1.00 0.00 H new ATOM 0 HG2 ARG A 59 6.452 5.299 -2.775 1.00 0.00 H new ATOM 0 HG3 ARG A 59 7.662 6.566 -2.774 1.00 0.00 H new ATOM 0 HD2 ARG A 59 8.502 3.741 -2.135 1.00 0.00 H new ATOM 0 HD3 ARG A 59 8.192 4.178 -3.803 1.00 0.00 H new ATOM 0 HE ARG A 59 10.507 4.899 -2.237 1.00 0.00 H new ATOM 0 HH11 ARG A 59 8.315 6.087 -4.737 1.00 0.00 H new ATOM 0 HH12 ARG A 59 9.525 7.157 -5.452 1.00 0.00 H new ATOM 0 HH21 ARG A 59 12.056 6.274 -3.162 1.00 0.00 H new ATOM 0 HH22 ARG A 59 11.634 7.263 -4.565 1.00 0.00 H new ATOM 946 N LYS A 60 5.867 8.277 -2.141 1.00 0.00 N ATOM 947 CA LYS A 60 6.001 9.490 -2.939 1.00 0.00 C ATOM 948 C LYS A 60 5.221 10.642 -2.314 1.00 0.00 C ATOM 949 O LYS A 60 5.644 11.797 -2.375 1.00 0.00 O ATOM 950 CB LYS A 60 5.509 9.242 -4.367 1.00 0.00 C ATOM 951 CG LYS A 60 3.996 9.271 -4.502 1.00 0.00 C ATOM 952 CD LYS A 60 3.565 9.220 -5.958 1.00 0.00 C ATOM 953 CE LYS A 60 3.583 10.602 -6.594 1.00 0.00 C ATOM 954 NZ LYS A 60 3.442 10.533 -8.075 1.00 0.00 N ATOM 0 H LYS A 60 5.137 7.641 -2.461 1.00 0.00 H new ATOM 0 HA LYS A 60 7.056 9.762 -2.967 1.00 0.00 H new ATOM 0 HB2 LYS A 60 5.939 9.996 -5.027 1.00 0.00 H new ATOM 0 HB3 LYS A 60 5.877 8.274 -4.706 1.00 0.00 H new ATOM 0 HG2 LYS A 60 3.566 8.426 -3.964 1.00 0.00 H new ATOM 0 HG3 LYS A 60 3.606 10.177 -4.038 1.00 0.00 H new ATOM 0 HD2 LYS A 60 4.228 8.555 -6.512 1.00 0.00 H new ATOM 0 HD3 LYS A 60 2.562 8.800 -6.027 1.00 0.00 H new ATOM 0 HE2 LYS A 60 2.773 11.203 -6.180 1.00 0.00 H new ATOM 0 HE3 LYS A 60 4.516 11.106 -6.341 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 3.459 11.495 -8.471 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 4.228 9.981 -8.473 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 2.540 10.075 -8.317 1.00 0.00 H new ATOM 968 N LYS A 61 4.082 10.320 -1.710 1.00 0.00 N ATOM 969 CA LYS A 61 3.244 11.328 -1.071 1.00 0.00 C ATOM 970 C LYS A 61 3.978 11.986 0.093 1.00 0.00 C ATOM 971 O LYS A 61 3.857 13.192 0.314 1.00 0.00 O ATOM 972 CB LYS A 61 1.941 10.696 -0.574 1.00 0.00 C ATOM 973 CG LYS A 61 0.823 10.723 -1.601 1.00 0.00 C ATOM 974 CD LYS A 61 -0.371 9.900 -1.147 1.00 0.00 C ATOM 975 CE LYS A 61 -1.400 9.749 -2.257 1.00 0.00 C ATOM 976 NZ LYS A 61 -2.286 8.574 -2.037 1.00 0.00 N ATOM 0 H LYS A 61 3.718 9.369 -1.650 1.00 0.00 H new ATOM 0 HA LYS A 61 3.011 12.094 -1.811 1.00 0.00 H new ATOM 0 HB2 LYS A 61 2.135 9.662 -0.287 1.00 0.00 H new ATOM 0 HB3 LYS A 61 1.612 11.220 0.323 1.00 0.00 H new ATOM 0 HG2 LYS A 61 0.511 11.753 -1.774 1.00 0.00 H new ATOM 0 HG3 LYS A 61 1.192 10.338 -2.552 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -0.034 8.914 -0.826 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -0.834 10.376 -0.283 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -2.005 10.654 -2.316 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -0.889 9.644 -3.214 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -2.973 8.506 -2.815 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -1.712 7.707 -2.006 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -2.794 8.686 -1.136 1.00 0.00 H new ATOM 990 N VAL A 62 4.740 11.188 0.835 1.00 0.00 N ATOM 991 CA VAL A 62 5.495 11.695 1.974 1.00 0.00 C ATOM 992 C VAL A 62 6.517 12.738 1.536 1.00 0.00 C ATOM 993 O VAL A 62 6.665 13.781 2.171 1.00 0.00 O ATOM 994 CB VAL A 62 6.223 10.557 2.715 1.00 0.00 C ATOM 995 CG1 VAL A 62 7.017 11.108 3.890 1.00 0.00 C ATOM 996 CG2 VAL A 62 5.230 9.503 3.179 1.00 0.00 C ATOM 0 H VAL A 62 4.850 10.188 0.667 1.00 0.00 H new ATOM 0 HA VAL A 62 4.776 12.158 2.650 1.00 0.00 H new ATOM 0 HB VAL A 62 6.922 10.085 2.024 1.00 0.00 H new ATOM 0 HG11 VAL A 62 7.525 10.290 4.402 1.00 0.00 H new ATOM 0 HG12 VAL A 62 7.755 11.823 3.527 1.00 0.00 H new ATOM 0 HG13 VAL A 62 6.341 11.606 4.584 1.00 0.00 H new ATOM 0 HG21 VAL A 62 5.761 8.707 3.700 1.00 0.00 H new ATOM 0 HG22 VAL A 62 4.505 9.958 3.854 1.00 0.00 H new ATOM 0 HG23 VAL A 62 4.710 9.087 2.316 1.00 0.00 H new ATOM 1006 N ASN A 63 7.220 12.448 0.446 1.00 0.00 N ATOM 1007 CA ASN A 63 8.230 13.361 -0.077 1.00 0.00 C ATOM 1008 C ASN A 63 7.582 14.618 -0.649 1.00 0.00 C ATOM 1009 O ASN A 63 8.102 15.722 -0.494 1.00 0.00 O ATOM 1010 CB ASN A 63 9.064 12.668 -1.157 1.00 0.00 C ATOM 1011 CG ASN A 63 10.380 13.376 -1.414 1.00 0.00 C ATOM 1012 OD1 ASN A 63 10.482 14.214 -2.309 1.00 0.00 O ATOM 1013 ND2 ASN A 63 11.396 13.039 -0.627 1.00 0.00 N ATOM 0 H ASN A 63 7.109 11.589 -0.092 1.00 0.00 H new ATOM 0 HA ASN A 63 8.883 13.652 0.746 1.00 0.00 H new ATOM 0 HB2 ASN A 63 9.261 11.639 -0.856 1.00 0.00 H new ATOM 0 HB3 ASN A 63 8.491 12.625 -2.083 1.00 0.00 H new ATOM 0 HD21 ASN A 63 12.307 13.481 -0.753 1.00 0.00 H new ATOM 0 HD22 ASN A 63 11.265 12.339 0.103 1.00 0.00 H new ATOM 1020 N ALA A 64 6.442 14.442 -1.310 1.00 0.00 N ATOM 1021 CA ALA A 64 5.721 15.561 -1.902 1.00 0.00 C ATOM 1022 C ALA A 64 4.539 15.975 -1.033 1.00 0.00 C ATOM 1023 O ALA A 64 3.468 16.304 -1.542 1.00 0.00 O ATOM 1024 CB ALA A 64 5.249 15.203 -3.304 1.00 0.00 C ATOM 0 H ALA A 64 5.998 13.534 -1.449 1.00 0.00 H new ATOM 0 HA ALA A 64 6.404 16.408 -1.966 1.00 0.00 H new ATOM 0 HB1 ALA A 64 4.712 16.048 -3.734 1.00 0.00 H new ATOM 0 HB2 ALA A 64 6.110 14.965 -3.928 1.00 0.00 H new ATOM 0 HB3 ALA A 64 4.586 14.339 -3.255 1.00 0.00 H new ATOM 1030 N GLU A 65 4.740 15.954 0.281 1.00 0.00 N ATOM 1031 CA GLU A 65 3.689 16.326 1.220 1.00 0.00 C ATOM 1032 C GLU A 65 3.404 17.824 1.154 1.00 0.00 C ATOM 1033 O GLU A 65 4.086 18.564 0.446 1.00 0.00 O ATOM 1034 CB GLU A 65 4.085 15.933 2.645 1.00 0.00 C ATOM 1035 CG GLU A 65 5.192 16.796 3.228 1.00 0.00 C ATOM 1036 CD GLU A 65 5.644 16.319 4.595 1.00 0.00 C ATOM 1037 OE1 GLU A 65 4.820 16.335 5.532 1.00 0.00 O ATOM 1038 OE2 GLU A 65 6.823 15.929 4.726 1.00 0.00 O ATOM 0 H GLU A 65 5.621 15.683 0.719 1.00 0.00 H new ATOM 0 HA GLU A 65 2.782 15.789 0.941 1.00 0.00 H new ATOM 0 HB2 GLU A 65 3.208 15.999 3.288 1.00 0.00 H new ATOM 0 HB3 GLU A 65 4.407 14.892 2.650 1.00 0.00 H new ATOM 0 HG2 GLU A 65 6.044 16.797 2.548 1.00 0.00 H new ATOM 0 HG3 GLU A 65 4.843 17.826 3.304 1.00 0.00 H new ATOM 1045 N GLU A 66 2.393 18.262 1.897 1.00 0.00 N ATOM 1046 CA GLU A 66 2.017 19.670 1.921 1.00 0.00 C ATOM 1047 C GLU A 66 3.185 20.537 2.384 1.00 0.00 C ATOM 1048 O GLU A 66 4.251 20.028 2.733 1.00 0.00 O ATOM 1049 CB GLU A 66 0.813 19.885 2.841 1.00 0.00 C ATOM 1050 CG GLU A 66 -0.520 19.579 2.180 1.00 0.00 C ATOM 1051 CD GLU A 66 -1.698 19.822 3.102 1.00 0.00 C ATOM 1052 OE1 GLU A 66 -1.581 20.680 4.002 1.00 0.00 O ATOM 1053 OE2 GLU A 66 -2.739 19.155 2.923 1.00 0.00 O ATOM 0 H GLU A 66 1.820 17.662 2.490 1.00 0.00 H new ATOM 0 HA GLU A 66 1.747 19.964 0.907 1.00 0.00 H new ATOM 0 HB2 GLU A 66 0.924 19.256 3.724 1.00 0.00 H new ATOM 0 HB3 GLU A 66 0.809 20.919 3.185 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -0.629 20.196 1.288 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -0.528 18.539 1.852 1.00 0.00 H new ATOM 1060 N THR A 67 2.977 21.850 2.384 1.00 0.00 N ATOM 1061 CA THR A 67 4.012 22.788 2.801 1.00 0.00 C ATOM 1062 C THR A 67 4.603 22.390 4.149 1.00 0.00 C ATOM 1063 O THR A 67 4.110 21.476 4.809 1.00 0.00 O ATOM 1064 CB THR A 67 3.462 24.224 2.897 1.00 0.00 C ATOM 1065 OG1 THR A 67 2.406 24.280 3.862 1.00 0.00 O ATOM 1066 CG2 THR A 67 2.949 24.698 1.547 1.00 0.00 C ATOM 0 H THR A 67 2.101 22.288 2.100 1.00 0.00 H new ATOM 0 HA THR A 67 4.793 22.756 2.042 1.00 0.00 H new ATOM 0 HB THR A 67 4.274 24.881 3.209 1.00 0.00 H new ATOM 0 HG1 THR A 67 2.647 24.909 4.574 1.00 0.00 H new ATOM 0 HG21 THR A 67 2.566 25.714 1.640 1.00 0.00 H new ATOM 0 HG22 THR A 67 3.763 24.682 0.822 1.00 0.00 H new ATOM 0 HG23 THR A 67 2.150 24.038 1.209 1.00 0.00 H new ATOM 1074 N LYS A 68 5.661 23.084 4.553 1.00 0.00 N ATOM 1075 CA LYS A 68 6.319 22.805 5.824 1.00 0.00 C ATOM 1076 C LYS A 68 5.397 23.125 6.996 1.00 0.00 C ATOM 1077 O LYS A 68 4.261 23.560 6.805 1.00 0.00 O ATOM 1078 CB LYS A 68 7.611 23.618 5.942 1.00 0.00 C ATOM 1079 CG LYS A 68 8.825 22.919 5.355 1.00 0.00 C ATOM 1080 CD LYS A 68 9.270 21.753 6.221 1.00 0.00 C ATOM 1081 CE LYS A 68 9.922 20.659 5.390 1.00 0.00 C ATOM 1082 NZ LYS A 68 10.517 19.593 6.244 1.00 0.00 N ATOM 0 H LYS A 68 6.082 23.844 4.019 1.00 0.00 H new ATOM 0 HA LYS A 68 6.561 21.743 5.854 1.00 0.00 H new ATOM 0 HB2 LYS A 68 7.475 24.576 5.439 1.00 0.00 H new ATOM 0 HB3 LYS A 68 7.800 23.834 6.994 1.00 0.00 H new ATOM 0 HG2 LYS A 68 8.590 22.560 4.353 1.00 0.00 H new ATOM 0 HG3 LYS A 68 9.643 23.632 5.255 1.00 0.00 H new ATOM 0 HD2 LYS A 68 9.973 22.106 6.975 1.00 0.00 H new ATOM 0 HD3 LYS A 68 8.411 21.344 6.753 1.00 0.00 H new ATOM 0 HE2 LYS A 68 9.180 20.219 4.724 1.00 0.00 H new ATOM 0 HE3 LYS A 68 10.698 21.095 4.760 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 10.951 18.866 5.640 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 11.243 20.008 6.862 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 9.773 19.159 6.827 1.00 0.00 H new ATOM 1096 N LYS A 69 5.892 22.907 8.210 1.00 0.00 N ATOM 1097 CA LYS A 69 5.114 23.173 9.413 1.00 0.00 C ATOM 1098 C LYS A 69 5.186 24.649 9.792 1.00 0.00 C ATOM 1099 O LYS A 69 5.837 25.443 9.113 1.00 0.00 O ATOM 1100 CB LYS A 69 5.619 22.313 10.573 1.00 0.00 C ATOM 1101 CG LYS A 69 4.962 20.945 10.647 1.00 0.00 C ATOM 1102 CD LYS A 69 3.684 20.984 11.468 1.00 0.00 C ATOM 1103 CE LYS A 69 2.574 21.723 10.736 1.00 0.00 C ATOM 1104 NZ LYS A 69 1.239 21.458 11.341 1.00 0.00 N ATOM 0 H LYS A 69 6.830 22.546 8.386 1.00 0.00 H new ATOM 0 HA LYS A 69 4.074 22.919 9.206 1.00 0.00 H new ATOM 0 HB2 LYS A 69 6.697 22.184 10.476 1.00 0.00 H new ATOM 0 HB3 LYS A 69 5.444 22.842 11.510 1.00 0.00 H new ATOM 0 HG2 LYS A 69 4.738 20.593 9.640 1.00 0.00 H new ATOM 0 HG3 LYS A 69 5.657 20.230 11.087 1.00 0.00 H new ATOM 0 HD2 LYS A 69 3.361 19.967 11.689 1.00 0.00 H new ATOM 0 HD3 LYS A 69 3.879 21.471 12.423 1.00 0.00 H new ATOM 0 HE2 LYS A 69 2.776 22.794 10.756 1.00 0.00 H new ATOM 0 HE3 LYS A 69 2.565 21.420 9.689 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 0.509 21.979 10.814 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 1.035 20.439 11.299 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 1.239 21.770 12.333 1.00 0.00 H new ATOM 1118 N SER A 70 4.515 25.009 10.882 1.00 0.00 N ATOM 1119 CA SER A 70 4.502 26.391 11.349 1.00 0.00 C ATOM 1120 C SER A 70 4.366 27.359 10.179 1.00 0.00 C ATOM 1121 O SER A 70 5.163 28.284 10.027 1.00 0.00 O ATOM 1122 CB SER A 70 5.779 26.698 12.134 1.00 0.00 C ATOM 1123 OG SER A 70 5.616 26.403 13.510 1.00 0.00 O ATOM 0 H SER A 70 3.974 24.364 11.458 1.00 0.00 H new ATOM 0 HA SER A 70 3.641 26.519 12.005 1.00 0.00 H new ATOM 0 HB2 SER A 70 6.607 26.115 11.730 1.00 0.00 H new ATOM 0 HB3 SER A 70 6.040 27.749 12.013 1.00 0.00 H new ATOM 0 HG SER A 70 6.447 26.606 13.989 1.00 0.00 H new ATOM 1129 N GLY A 71 3.348 27.139 9.352 1.00 0.00 N ATOM 1130 CA GLY A 71 3.124 27.999 8.205 1.00 0.00 C ATOM 1131 C GLY A 71 1.744 27.818 7.604 1.00 0.00 C ATOM 1132 O GLY A 71 1.184 26.722 7.602 1.00 0.00 O ATOM 0 H GLY A 71 2.674 26.380 9.456 1.00 0.00 H new ATOM 0 HA2 GLY A 71 3.253 29.039 8.504 1.00 0.00 H new ATOM 0 HA3 GLY A 71 3.878 27.790 7.446 1.00 0.00 H new ATOM 1136 N PRO A 72 1.174 28.913 7.081 1.00 0.00 N ATOM 1137 CA PRO A 72 -0.157 28.895 6.466 1.00 0.00 C ATOM 1138 C PRO A 72 -0.174 28.135 5.144 1.00 0.00 C ATOM 1139 O PRO A 72 0.697 28.324 4.296 1.00 0.00 O ATOM 1140 CB PRO A 72 -0.460 30.378 6.234 1.00 0.00 C ATOM 1141 CG PRO A 72 0.877 31.026 6.132 1.00 0.00 C ATOM 1142 CD PRO A 72 1.784 30.253 7.048 1.00 0.00 C ATOM 0 HA PRO A 72 -0.890 28.389 7.094 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -1.042 30.526 5.324 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -1.041 30.797 7.056 1.00 0.00 H new ATOM 0 HG2 PRO A 72 1.245 31.001 5.106 1.00 0.00 H new ATOM 0 HG3 PRO A 72 0.826 32.074 6.427 1.00 0.00 H new ATOM 0 HD2 PRO A 72 2.805 30.220 6.669 1.00 0.00 H new ATOM 0 HD3 PRO A 72 1.827 30.699 8.041 1.00 0.00 H new ATOM 1150 N SER A 73 -1.173 27.274 4.975 1.00 0.00 N ATOM 1151 CA SER A 73 -1.302 26.482 3.758 1.00 0.00 C ATOM 1152 C SER A 73 -2.717 25.928 3.617 1.00 0.00 C ATOM 1153 O SER A 73 -3.267 25.356 4.558 1.00 0.00 O ATOM 1154 CB SER A 73 -0.291 25.334 3.761 1.00 0.00 C ATOM 1155 OG SER A 73 -0.668 24.325 4.681 1.00 0.00 O ATOM 0 H SER A 73 -1.905 27.108 5.666 1.00 0.00 H new ATOM 0 HA SER A 73 -1.099 27.133 2.908 1.00 0.00 H new ATOM 0 HB2 SER A 73 -0.216 24.909 2.760 1.00 0.00 H new ATOM 0 HB3 SER A 73 0.697 25.716 4.020 1.00 0.00 H new ATOM 0 HG SER A 73 -1.613 24.434 4.917 1.00 0.00 H new ATOM 1161 N SER A 74 -3.299 26.103 2.435 1.00 0.00 N ATOM 1162 CA SER A 74 -4.651 25.624 2.171 1.00 0.00 C ATOM 1163 C SER A 74 -4.714 24.102 2.252 1.00 0.00 C ATOM 1164 O SER A 74 -3.810 23.407 1.791 1.00 0.00 O ATOM 1165 CB SER A 74 -5.121 26.093 0.793 1.00 0.00 C ATOM 1166 OG SER A 74 -4.244 25.642 -0.225 1.00 0.00 O ATOM 0 H SER A 74 -2.856 26.573 1.645 1.00 0.00 H new ATOM 0 HA SER A 74 -5.312 26.038 2.933 1.00 0.00 H new ATOM 0 HB2 SER A 74 -6.127 25.720 0.602 1.00 0.00 H new ATOM 0 HB3 SER A 74 -5.175 27.181 0.775 1.00 0.00 H new ATOM 0 HG SER A 74 -4.567 25.953 -1.096 1.00 0.00 H new ATOM 1172 N GLY A 75 -5.791 23.591 2.842 1.00 0.00 N ATOM 1173 CA GLY A 75 -5.953 22.155 2.973 1.00 0.00 C ATOM 1174 C GLY A 75 -6.319 21.739 4.384 1.00 0.00 C ATOM 1175 O GLY A 75 -6.407 20.549 4.685 1.00 0.00 O ATOM 0 H GLY A 75 -6.553 24.146 3.231 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -6.727 21.816 2.285 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -5.027 21.660 2.680 1.00 0.00 H new TER 1179 GLY A 75