USER MOD reduce.3.24.130724 H: found=0, std=0, add=859, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 849 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 44 TYR OH : rot 30:sc= 1.01 USER MOD Set 1.2: B 105 A O2' : rot -75:sc= 1.22 USER MOD Set 2.1: A 37 TYR OH : rot 87:sc= 1.35 USER MOD Set 2.2: A 75 MET CE :methyl -132:sc= -1.46 (180deg=-8.71!) USER MOD Set 3.1: A 22 THR OG1 : rot -174:sc= 1.68 USER MOD Set 3.2: A 25 THR OG1 : rot 74:sc= 1.36 USER MOD Set 4.1: A 17 LYS NZ :NH3+ 158:sc= 0.352 (180deg=0.169) USER MOD Set 4.2: B 102 U O2' : rot 124:sc= 0.152 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -164:sc= -0.0262 (180deg=-0.354) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 MET CE :methyl -140:sc= -0.0507 (180deg=-0.306) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 20 ASN : amide:sc= 0.942 K(o=0.94,f=-0.053) USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 SER OG : rot 180:sc= 0.0817 USER MOD Single : A 29 THR OG1 : rot -170:sc= 0.126 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 TYR OH : rot 180:sc= 0.072 USER MOD Single : A 51 THR OG1 : rot 180:sc= -0.236 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 SER OG : rot 136:sc= 0.404 USER MOD Single : A 63 HIS : no HE2:sc= -1.58 X(o=-1.6,f=-1.8) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 MET CE :methyl -150:sc=-0.00297 (180deg=-1.06) USER MOD Single : A 88 GLN : amide:sc= -0.218 K(o=-0.22,f=-1.5) USER MOD Single : A 89 MET CE :methyl -165:sc= -0.594 (180deg=-0.64) USER MOD Single : A 92 TYR OH : rot 180:sc= 0 USER MOD Single : A 98 SER OG : rot -170:sc=-0.00808 USER MOD Single : A 99 HIS : no HD1:sc= -0.0559 X(o=-0.056,f=-0.4) USER MOD Single : A 100 HIS : no HD1:sc= -0.263 X(o=-0.26,f=-0.26) USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : B 102 U O5' : rot 180:sc= 0 USER MOD Single : B 103 C O2' : rot 27:sc= 0.19 USER MOD Single : B 104 C O2' : rot -140:sc= 1.95 USER MOD Single : B 106 G O2' : rot 23:sc= 0.275 USER MOD Single : B 107 U O2' : rot 153:sc= -0.304 USER MOD Single : B 107 U O3' : rot 100:sc= 0.218 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -3.278 20.977 6.441 1.00 0.00 N ATOM 2 CA MET A 1 -4.142 19.911 5.895 1.00 0.00 C ATOM 3 C MET A 1 -3.498 19.293 4.658 1.00 0.00 C ATOM 4 O MET A 1 -3.014 20.017 3.788 1.00 0.00 O ATOM 5 CB MET A 1 -5.536 20.445 5.548 1.00 0.00 C ATOM 6 CG MET A 1 -6.253 20.942 6.805 1.00 0.00 C ATOM 7 SD MET A 1 -7.924 21.566 6.495 1.00 0.00 S ATOM 8 CE MET A 1 -8.398 21.982 8.195 1.00 0.00 C ATOM 0 H1 MET A 1 -3.576 21.203 7.411 1.00 0.00 H new ATOM 0 H2 MET A 1 -2.290 20.653 6.449 1.00 0.00 H new ATOM 0 H3 MET A 1 -3.359 21.827 5.848 1.00 0.00 H new ATOM 0 HA MET A 1 -4.254 19.146 6.663 1.00 0.00 H new ATOM 0 HB2 MET A 1 -5.450 21.258 4.827 1.00 0.00 H new ATOM 0 HB3 MET A 1 -6.124 19.659 5.074 1.00 0.00 H new ATOM 0 HG2 MET A 1 -6.308 20.127 7.527 1.00 0.00 H new ATOM 0 HG3 MET A 1 -5.659 21.733 7.262 1.00 0.00 H new ATOM 0 HE1 MET A 1 -9.410 22.386 8.202 1.00 0.00 H new ATOM 0 HE2 MET A 1 -8.361 21.085 8.813 1.00 0.00 H new ATOM 0 HE3 MET A 1 -7.708 22.726 8.594 1.00 0.00 H new ATOM 18 N SER A 2 -3.486 17.959 4.583 1.00 0.00 N ATOM 19 CA SER A 2 -2.857 17.239 3.480 1.00 0.00 C ATOM 20 C SER A 2 -3.635 15.976 3.113 1.00 0.00 C ATOM 21 O SER A 2 -3.137 15.149 2.352 1.00 0.00 O ATOM 22 CB SER A 2 -1.419 16.871 3.858 1.00 0.00 C ATOM 23 OG SER A 2 -0.682 18.028 4.197 1.00 0.00 O ATOM 0 H SER A 2 -3.911 17.353 5.284 1.00 0.00 H new ATOM 0 HA SER A 2 -2.856 17.894 2.609 1.00 0.00 H new ATOM 0 HB2 SER A 2 -1.424 16.177 4.699 1.00 0.00 H new ATOM 0 HB3 SER A 2 -0.938 16.358 3.025 1.00 0.00 H new ATOM 0 HG SER A 2 0.234 17.774 4.437 1.00 0.00 H new ATOM 29 N TYR A 3 -4.854 15.821 3.646 1.00 0.00 N ATOM 30 CA TYR A 3 -5.680 14.643 3.422 1.00 0.00 C ATOM 31 C TYR A 3 -7.140 15.049 3.251 1.00 0.00 C ATOM 32 O TYR A 3 -7.473 16.230 3.355 1.00 0.00 O ATOM 33 CB TYR A 3 -5.519 13.684 4.601 1.00 0.00 C ATOM 34 CG TYR A 3 -4.074 13.342 4.875 1.00 0.00 C ATOM 35 CD1 TYR A 3 -3.442 12.343 4.115 1.00 0.00 C ATOM 36 CD2 TYR A 3 -3.360 14.029 5.868 1.00 0.00 C ATOM 37 CE1 TYR A 3 -2.093 12.033 4.335 1.00 0.00 C ATOM 38 CE2 TYR A 3 -2.007 13.738 6.084 1.00 0.00 C ATOM 39 CZ TYR A 3 -1.369 12.745 5.311 1.00 0.00 C ATOM 40 OH TYR A 3 -0.050 12.480 5.509 1.00 0.00 O ATOM 0 H TYR A 3 -5.291 16.519 4.248 1.00 0.00 H new ATOM 0 HA TYR A 3 -5.360 14.140 2.509 1.00 0.00 H new ATOM 0 HB2 TYR A 3 -5.958 14.132 5.492 1.00 0.00 H new ATOM 0 HB3 TYR A 3 -6.074 12.768 4.398 1.00 0.00 H new ATOM 0 HD1 TYR A 3 -3.999 11.811 3.357 1.00 0.00 H new ATOM 0 HD2 TYR A 3 -3.853 14.782 6.465 1.00 0.00 H new ATOM 0 HE1 TYR A 3 -1.613 11.255 3.761 1.00 0.00 H new ATOM 0 HE2 TYR A 3 -1.453 14.273 6.841 1.00 0.00 H new ATOM 0 HH TYR A 3 0.298 13.061 6.218 1.00 0.00 H new ATOM 50 N GLY A 4 -8.017 14.075 2.992 1.00 0.00 N ATOM 51 CA GLY A 4 -9.425 14.352 2.783 1.00 0.00 C ATOM 52 C GLY A 4 -10.268 13.087 2.841 1.00 0.00 C ATOM 53 O GLY A 4 -9.739 11.983 2.938 1.00 0.00 O ATOM 0 H GLY A 4 -7.768 13.088 2.924 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -9.773 15.055 3.540 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -9.560 14.834 1.815 1.00 0.00 H new ATOM 57 N ARG A 5 -11.591 13.255 2.779 1.00 0.00 N ATOM 58 CA ARG A 5 -12.546 12.166 2.814 1.00 0.00 C ATOM 59 C ARG A 5 -12.327 11.201 1.645 1.00 0.00 C ATOM 60 O ARG A 5 -11.798 11.591 0.602 1.00 0.00 O ATOM 61 CB ARG A 5 -13.959 12.760 2.797 1.00 0.00 C ATOM 62 CG ARG A 5 -14.263 13.452 1.466 1.00 0.00 C ATOM 63 CD ARG A 5 -15.616 14.161 1.512 1.00 0.00 C ATOM 64 NE ARG A 5 -16.712 13.217 1.765 1.00 0.00 N ATOM 65 CZ ARG A 5 -17.415 13.169 2.898 1.00 0.00 C ATOM 66 NH1 ARG A 5 -17.155 14.007 3.897 1.00 0.00 N ATOM 67 NH2 ARG A 5 -18.392 12.276 3.033 1.00 0.00 N ATOM 0 H ARG A 5 -12.028 14.173 2.702 1.00 0.00 H new ATOM 0 HA ARG A 5 -12.409 11.585 3.726 1.00 0.00 H new ATOM 0 HB2 ARG A 5 -14.689 11.969 2.972 1.00 0.00 H new ATOM 0 HB3 ARG A 5 -14.063 13.476 3.612 1.00 0.00 H new ATOM 0 HG2 ARG A 5 -13.478 14.174 1.240 1.00 0.00 H new ATOM 0 HG3 ARG A 5 -14.261 12.717 0.661 1.00 0.00 H new ATOM 0 HD2 ARG A 5 -15.603 14.922 2.293 1.00 0.00 H new ATOM 0 HD3 ARG A 5 -15.790 14.677 0.567 1.00 0.00 H new ATOM 0 HE ARG A 5 -16.951 12.555 1.027 1.00 0.00 H new ATOM 0 HH11 ARG A 5 -16.410 14.698 3.803 1.00 0.00 H new ATOM 0 HH12 ARG A 5 -17.700 13.959 4.758 1.00 0.00 H new ATOM 0 HH21 ARG A 5 -18.602 11.631 2.272 1.00 0.00 H new ATOM 0 HH22 ARG A 5 -18.931 12.237 3.898 1.00 0.00 H new ATOM 81 N PRO A 6 -12.731 9.939 1.821 1.00 0.00 N ATOM 82 CA PRO A 6 -12.643 8.892 0.818 1.00 0.00 C ATOM 83 C PRO A 6 -13.667 9.125 -0.299 1.00 0.00 C ATOM 84 O PRO A 6 -14.635 9.859 -0.105 1.00 0.00 O ATOM 85 CB PRO A 6 -12.942 7.597 1.576 1.00 0.00 C ATOM 86 CG PRO A 6 -13.870 8.062 2.698 1.00 0.00 C ATOM 87 CD PRO A 6 -13.317 9.440 3.046 1.00 0.00 C ATOM 0 HA PRO A 6 -11.666 8.864 0.335 1.00 0.00 H new ATOM 0 HB2 PRO A 6 -13.422 6.856 0.936 1.00 0.00 H new ATOM 0 HB3 PRO A 6 -12.033 7.139 1.967 1.00 0.00 H new ATOM 0 HG2 PRO A 6 -14.908 8.114 2.369 1.00 0.00 H new ATOM 0 HG3 PRO A 6 -13.840 7.387 3.553 1.00 0.00 H new ATOM 0 HD2 PRO A 6 -14.107 10.102 3.402 1.00 0.00 H new ATOM 0 HD3 PRO A 6 -12.573 9.376 3.840 1.00 0.00 H new ATOM 95 N PRO A 7 -13.464 8.504 -1.467 1.00 0.00 N ATOM 96 CA PRO A 7 -14.381 8.605 -2.587 1.00 0.00 C ATOM 97 C PRO A 7 -15.663 7.824 -2.290 1.00 0.00 C ATOM 98 O PRO A 7 -15.676 6.950 -1.423 1.00 0.00 O ATOM 99 CB PRO A 7 -13.625 8.018 -3.780 1.00 0.00 C ATOM 100 CG PRO A 7 -12.678 7.011 -3.130 1.00 0.00 C ATOM 101 CD PRO A 7 -12.332 7.660 -1.791 1.00 0.00 C ATOM 0 HA PRO A 7 -14.688 9.632 -2.785 1.00 0.00 H new ATOM 0 HB2 PRO A 7 -14.300 7.537 -4.488 1.00 0.00 H new ATOM 0 HB3 PRO A 7 -13.081 8.786 -4.330 1.00 0.00 H new ATOM 0 HG2 PRO A 7 -13.156 6.041 -2.994 1.00 0.00 H new ATOM 0 HG3 PRO A 7 -11.788 6.846 -3.738 1.00 0.00 H new ATOM 0 HD2 PRO A 7 -12.170 6.907 -1.020 1.00 0.00 H new ATOM 0 HD3 PRO A 7 -11.415 8.244 -1.863 1.00 0.00 H new ATOM 109 N PRO A 8 -16.753 8.128 -3.009 1.00 0.00 N ATOM 110 CA PRO A 8 -18.054 7.501 -2.831 1.00 0.00 C ATOM 111 C PRO A 8 -18.137 6.138 -3.530 1.00 0.00 C ATOM 112 O PRO A 8 -19.238 5.647 -3.778 1.00 0.00 O ATOM 113 CB PRO A 8 -19.028 8.491 -3.468 1.00 0.00 C ATOM 114 CG PRO A 8 -18.214 9.050 -4.633 1.00 0.00 C ATOM 115 CD PRO A 8 -16.806 9.143 -4.043 1.00 0.00 C ATOM 0 HA PRO A 8 -18.268 7.300 -1.781 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -19.940 8.001 -3.808 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -19.327 9.273 -2.770 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -18.247 8.393 -5.502 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -18.583 10.024 -4.955 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -16.048 8.966 -4.806 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -16.618 10.134 -3.630 1.00 0.00 H new ATOM 123 N ASP A 9 -16.998 5.522 -3.856 1.00 0.00 N ATOM 124 CA ASP A 9 -16.985 4.305 -4.654 1.00 0.00 C ATOM 125 C ASP A 9 -15.968 3.288 -4.125 1.00 0.00 C ATOM 126 O ASP A 9 -15.497 2.429 -4.870 1.00 0.00 O ATOM 127 CB ASP A 9 -16.722 4.680 -6.117 1.00 0.00 C ATOM 128 CG ASP A 9 -17.044 3.536 -7.077 1.00 0.00 C ATOM 129 OD1 ASP A 9 -17.943 2.729 -6.752 1.00 0.00 O ATOM 130 OD2 ASP A 9 -16.383 3.482 -8.139 1.00 0.00 O ATOM 0 H ASP A 9 -16.074 5.851 -3.576 1.00 0.00 H new ATOM 0 HA ASP A 9 -17.956 3.815 -4.583 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -17.322 5.551 -6.380 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -15.677 4.966 -6.234 1.00 0.00 H new ATOM 135 N VAL A 10 -15.625 3.383 -2.837 1.00 0.00 N ATOM 136 CA VAL A 10 -14.717 2.440 -2.179 1.00 0.00 C ATOM 137 C VAL A 10 -15.311 1.030 -2.093 1.00 0.00 C ATOM 138 O VAL A 10 -14.753 0.170 -1.413 1.00 0.00 O ATOM 139 CB VAL A 10 -14.337 2.932 -0.776 1.00 0.00 C ATOM 140 CG1 VAL A 10 -13.589 4.261 -0.862 1.00 0.00 C ATOM 141 CG2 VAL A 10 -15.573 3.104 0.108 1.00 0.00 C ATOM 0 H VAL A 10 -15.970 4.118 -2.220 1.00 0.00 H new ATOM 0 HA VAL A 10 -13.819 2.388 -2.795 1.00 0.00 H new ATOM 0 HB VAL A 10 -13.691 2.177 -0.328 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -13.327 4.596 0.141 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -12.681 4.130 -1.450 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -14.225 5.006 -1.339 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -15.269 3.453 1.095 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -16.245 3.833 -0.344 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -16.087 2.148 0.204 1.00 0.00 H new ATOM 151 N GLU A 11 -16.438 0.782 -2.770 1.00 0.00 N ATOM 152 CA GLU A 11 -17.114 -0.508 -2.753 1.00 0.00 C ATOM 153 C GLU A 11 -17.339 -1.002 -4.184 1.00 0.00 C ATOM 154 O GLU A 11 -18.080 -1.959 -4.414 1.00 0.00 O ATOM 155 CB GLU A 11 -18.444 -0.392 -2.009 1.00 0.00 C ATOM 156 CG GLU A 11 -18.226 0.184 -0.612 1.00 0.00 C ATOM 157 CD GLU A 11 -19.522 0.195 0.192 1.00 0.00 C ATOM 158 OE1 GLU A 11 -20.288 1.175 0.045 1.00 0.00 O ATOM 159 OE2 GLU A 11 -19.740 -0.777 0.949 1.00 0.00 O ATOM 0 H GLU A 11 -16.905 1.481 -3.348 1.00 0.00 H new ATOM 0 HA GLU A 11 -16.487 -1.232 -2.232 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -19.127 0.246 -2.570 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -18.913 -1.373 -1.935 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -17.475 -0.406 -0.087 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -17.836 1.199 -0.692 1.00 0.00 H new ATOM 166 N GLY A 12 -16.692 -0.335 -5.145 1.00 0.00 N ATOM 167 CA GLY A 12 -16.807 -0.646 -6.564 1.00 0.00 C ATOM 168 C GLY A 12 -15.460 -0.542 -7.277 1.00 0.00 C ATOM 169 O GLY A 12 -15.419 -0.451 -8.503 1.00 0.00 O ATOM 0 H GLY A 12 -16.066 0.447 -4.951 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -17.206 -1.653 -6.684 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -17.519 0.036 -7.029 1.00 0.00 H new ATOM 173 N MET A 13 -14.363 -0.560 -6.517 1.00 0.00 N ATOM 174 CA MET A 13 -13.013 -0.485 -7.054 1.00 0.00 C ATOM 175 C MET A 13 -12.073 -1.399 -6.267 1.00 0.00 C ATOM 176 O MET A 13 -12.437 -1.923 -5.216 1.00 0.00 O ATOM 177 CB MET A 13 -12.483 0.953 -6.970 1.00 0.00 C ATOM 178 CG MET A 13 -13.342 1.936 -7.762 1.00 0.00 C ATOM 179 SD MET A 13 -12.643 3.607 -7.864 1.00 0.00 S ATOM 180 CE MET A 13 -12.572 4.037 -6.104 1.00 0.00 C ATOM 0 H MET A 13 -14.393 -0.628 -5.500 1.00 0.00 H new ATOM 0 HA MET A 13 -13.049 -0.804 -8.096 1.00 0.00 H new ATOM 0 HB2 MET A 13 -12.448 1.264 -5.926 1.00 0.00 H new ATOM 0 HB3 MET A 13 -11.460 0.983 -7.346 1.00 0.00 H new ATOM 0 HG2 MET A 13 -13.482 1.549 -8.771 1.00 0.00 H new ATOM 0 HG3 MET A 13 -14.329 1.993 -7.303 1.00 0.00 H new ATOM 0 HE1 MET A 13 -12.864 5.079 -5.972 1.00 0.00 H new ATOM 0 HE2 MET A 13 -13.253 3.395 -5.545 1.00 0.00 H new ATOM 0 HE3 MET A 13 -11.556 3.896 -5.736 1.00 0.00 H new ATOM 190 N THR A 14 -10.856 -1.588 -6.784 1.00 0.00 N ATOM 191 CA THR A 14 -9.820 -2.350 -6.100 1.00 0.00 C ATOM 192 C THR A 14 -9.437 -1.643 -4.800 1.00 0.00 C ATOM 193 O THR A 14 -9.687 -0.449 -4.647 1.00 0.00 O ATOM 194 CB THR A 14 -8.610 -2.473 -7.030 1.00 0.00 C ATOM 195 OG1 THR A 14 -9.031 -3.011 -8.266 1.00 0.00 O ATOM 196 CG2 THR A 14 -7.522 -3.386 -6.459 1.00 0.00 C ATOM 0 H THR A 14 -10.566 -1.215 -7.688 1.00 0.00 H new ATOM 0 HA THR A 14 -10.183 -3.347 -5.851 1.00 0.00 H new ATOM 0 HB THR A 14 -8.189 -1.474 -7.147 1.00 0.00 H new ATOM 0 HG1 THR A 14 -8.261 -3.091 -8.867 1.00 0.00 H new ATOM 0 HG21 THR A 14 -6.687 -3.438 -7.158 1.00 0.00 H new ATOM 0 HG22 THR A 14 -7.174 -2.986 -5.507 1.00 0.00 H new ATOM 0 HG23 THR A 14 -7.929 -4.385 -6.305 1.00 0.00 H new ATOM 203 N SER A 15 -8.833 -2.380 -3.863 1.00 0.00 N ATOM 204 CA SER A 15 -8.389 -1.834 -2.591 1.00 0.00 C ATOM 205 C SER A 15 -7.176 -2.611 -2.110 1.00 0.00 C ATOM 206 O SER A 15 -7.226 -3.837 -2.001 1.00 0.00 O ATOM 207 CB SER A 15 -9.507 -1.954 -1.555 1.00 0.00 C ATOM 208 OG SER A 15 -10.639 -1.207 -1.949 1.00 0.00 O ATOM 0 H SER A 15 -8.641 -3.376 -3.973 1.00 0.00 H new ATOM 0 HA SER A 15 -8.130 -0.783 -2.721 1.00 0.00 H new ATOM 0 HB2 SER A 15 -9.782 -3.001 -1.430 1.00 0.00 H new ATOM 0 HB3 SER A 15 -9.151 -1.600 -0.587 1.00 0.00 H new ATOM 0 HG SER A 15 -11.343 -1.299 -1.273 1.00 0.00 H new ATOM 214 N LEU A 16 -6.086 -1.898 -1.819 1.00 0.00 N ATOM 215 CA LEU A 16 -4.861 -2.514 -1.324 1.00 0.00 C ATOM 216 C LEU A 16 -4.347 -1.778 -0.092 1.00 0.00 C ATOM 217 O LEU A 16 -3.621 -0.793 -0.232 1.00 0.00 O ATOM 218 CB LEU A 16 -3.806 -2.509 -2.429 1.00 0.00 C ATOM 219 CG LEU A 16 -2.541 -3.257 -1.992 1.00 0.00 C ATOM 220 CD1 LEU A 16 -2.704 -4.748 -2.253 1.00 0.00 C ATOM 221 CD2 LEU A 16 -1.347 -2.753 -2.790 1.00 0.00 C ATOM 0 H LEU A 16 -6.031 -0.885 -1.920 1.00 0.00 H new ATOM 0 HA LEU A 16 -5.073 -3.543 -1.036 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -4.214 -2.973 -3.327 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -3.552 -1.481 -2.689 1.00 0.00 H new ATOM 0 HG LEU A 16 -2.381 -3.083 -0.928 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -1.801 -5.273 -1.940 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -3.557 -5.125 -1.689 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -2.870 -4.915 -3.317 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -0.449 -3.286 -2.477 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -1.520 -2.926 -3.852 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -1.215 -1.686 -2.613 1.00 0.00 H new ATOM 233 N LYS A 17 -4.729 -2.265 1.099 1.00 0.00 N ATOM 234 CA LYS A 17 -4.294 -1.731 2.387 1.00 0.00 C ATOM 235 C LYS A 17 -2.782 -1.914 2.572 1.00 0.00 C ATOM 236 O LYS A 17 -2.205 -2.891 2.100 1.00 0.00 O ATOM 237 CB LYS A 17 -5.105 -2.399 3.501 1.00 0.00 C ATOM 238 CG LYS A 17 -4.519 -2.266 4.910 1.00 0.00 C ATOM 239 CD LYS A 17 -5.582 -2.714 5.916 1.00 0.00 C ATOM 240 CE LYS A 17 -5.070 -2.716 7.359 1.00 0.00 C ATOM 241 NZ LYS A 17 -4.728 -1.359 7.827 1.00 0.00 N ATOM 0 H LYS A 17 -5.363 -3.059 1.189 1.00 0.00 H new ATOM 0 HA LYS A 17 -4.478 -0.657 2.426 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -6.109 -1.974 3.502 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -5.208 -3.459 3.267 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -3.622 -2.878 5.008 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -4.224 -1.235 5.103 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -6.446 -2.054 5.843 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -5.923 -3.716 5.655 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -5.830 -3.144 8.013 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -4.191 -3.356 7.431 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -4.748 -1.335 8.867 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -3.776 -1.106 7.493 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -5.418 -0.678 7.451 1.00 0.00 H new ATOM 255 N VAL A 18 -2.155 -0.966 3.271 1.00 0.00 N ATOM 256 CA VAL A 18 -0.738 -0.975 3.597 1.00 0.00 C ATOM 257 C VAL A 18 -0.590 -0.601 5.065 1.00 0.00 C ATOM 258 O VAL A 18 -1.272 0.317 5.524 1.00 0.00 O ATOM 259 CB VAL A 18 -0.021 0.084 2.759 1.00 0.00 C ATOM 260 CG1 VAL A 18 1.464 0.142 3.103 1.00 0.00 C ATOM 261 CG2 VAL A 18 -0.169 -0.152 1.256 1.00 0.00 C ATOM 0 H VAL A 18 -2.641 -0.146 3.635 1.00 0.00 H new ATOM 0 HA VAL A 18 -0.313 -1.958 3.397 1.00 0.00 H new ATOM 0 HB VAL A 18 -0.499 1.032 3.005 1.00 0.00 H new ATOM 0 HG11 VAL A 18 1.949 0.903 2.492 1.00 0.00 H new ATOM 0 HG12 VAL A 18 1.584 0.392 4.157 1.00 0.00 H new ATOM 0 HG13 VAL A 18 1.921 -0.827 2.905 1.00 0.00 H new ATOM 0 HG21 VAL A 18 0.360 0.630 0.711 1.00 0.00 H new ATOM 0 HG22 VAL A 18 0.252 -1.123 0.997 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -1.225 -0.131 0.987 1.00 0.00 H new ATOM 271 N ASP A 19 0.294 -1.302 5.783 1.00 0.00 N ATOM 272 CA ASP A 19 0.446 -1.184 7.228 1.00 0.00 C ATOM 273 C ASP A 19 1.884 -1.434 7.685 1.00 0.00 C ATOM 274 O ASP A 19 2.790 -1.608 6.873 1.00 0.00 O ATOM 275 CB ASP A 19 -0.525 -2.167 7.897 1.00 0.00 C ATOM 276 CG ASP A 19 -0.199 -3.621 7.575 1.00 0.00 C ATOM 277 OD1 ASP A 19 -0.577 -4.070 6.468 1.00 0.00 O ATOM 278 OD2 ASP A 19 0.426 -4.275 8.438 1.00 0.00 O ATOM 0 H ASP A 19 0.933 -1.978 5.364 1.00 0.00 H new ATOM 0 HA ASP A 19 0.211 -0.162 7.525 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -0.496 -2.022 8.977 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -1.542 -1.946 7.573 1.00 0.00 H new ATOM 283 N ASN A 20 2.068 -1.450 9.010 1.00 0.00 N ATOM 284 CA ASN A 20 3.351 -1.565 9.687 1.00 0.00 C ATOM 285 C ASN A 20 4.181 -0.287 9.535 1.00 0.00 C ATOM 286 O ASN A 20 4.912 -0.119 8.561 1.00 0.00 O ATOM 287 CB ASN A 20 4.107 -2.825 9.240 1.00 0.00 C ATOM 288 CG ASN A 20 5.066 -3.283 10.325 1.00 0.00 C ATOM 289 OD1 ASN A 20 4.635 -3.771 11.365 1.00 0.00 O ATOM 290 ND2 ASN A 20 6.366 -3.133 10.098 1.00 0.00 N ATOM 0 H ASN A 20 1.287 -1.380 9.663 1.00 0.00 H new ATOM 0 HA ASN A 20 3.161 -1.681 10.754 1.00 0.00 H new ATOM 0 HB2 ASN A 20 3.397 -3.621 9.014 1.00 0.00 H new ATOM 0 HB3 ASN A 20 4.658 -2.619 8.322 1.00 0.00 H new ATOM 0 HD21 ASN A 20 7.044 -3.428 10.801 1.00 0.00 H new ATOM 0 HD22 ASN A 20 6.687 -2.723 9.221 1.00 0.00 H new ATOM 297 N LEU A 21 4.055 0.611 10.516 1.00 0.00 N ATOM 298 CA LEU A 21 4.775 1.877 10.605 1.00 0.00 C ATOM 299 C LEU A 21 5.675 1.953 11.836 1.00 0.00 C ATOM 300 O LEU A 21 5.595 1.105 12.725 1.00 0.00 O ATOM 301 CB LEU A 21 3.738 2.992 10.771 1.00 0.00 C ATOM 302 CG LEU A 21 3.433 3.736 9.486 1.00 0.00 C ATOM 303 CD1 LEU A 21 2.220 4.618 9.743 1.00 0.00 C ATOM 304 CD2 LEU A 21 4.634 4.608 9.170 1.00 0.00 C ATOM 0 H LEU A 21 3.421 0.466 11.301 1.00 0.00 H new ATOM 0 HA LEU A 21 5.386 1.972 9.707 1.00 0.00 H new ATOM 0 HB2 LEU A 21 2.815 2.563 11.160 1.00 0.00 H new ATOM 0 HB3 LEU A 21 4.097 3.703 11.515 1.00 0.00 H new ATOM 0 HG LEU A 21 3.233 3.056 8.658 1.00 0.00 H new ATOM 0 HD11 LEU A 21 1.972 5.169 8.836 1.00 0.00 H new ATOM 0 HD12 LEU A 21 1.373 3.996 10.032 1.00 0.00 H new ATOM 0 HD13 LEU A 21 2.445 5.321 10.545 1.00 0.00 H new ATOM 0 HD21 LEU A 21 4.450 5.160 8.248 1.00 0.00 H new ATOM 0 HD22 LEU A 21 4.799 5.310 9.987 1.00 0.00 H new ATOM 0 HD23 LEU A 21 5.517 3.981 9.047 1.00 0.00 H new ATOM 316 N THR A 22 6.530 2.981 11.889 1.00 0.00 N ATOM 317 CA THR A 22 7.210 3.343 13.126 1.00 0.00 C ATOM 318 C THR A 22 6.665 4.659 13.659 1.00 0.00 C ATOM 319 O THR A 22 5.972 5.397 12.959 1.00 0.00 O ATOM 320 CB THR A 22 8.725 3.512 12.961 1.00 0.00 C ATOM 321 OG1 THR A 22 8.997 4.626 12.143 1.00 0.00 O ATOM 322 CG2 THR A 22 9.401 2.300 12.349 1.00 0.00 C ATOM 0 H THR A 22 6.763 3.571 11.090 1.00 0.00 H new ATOM 0 HA THR A 22 7.025 2.518 13.814 1.00 0.00 H new ATOM 0 HB THR A 22 9.125 3.648 13.966 1.00 0.00 H new ATOM 0 HG1 THR A 22 9.958 4.669 11.958 1.00 0.00 H new ATOM 0 HG21 THR A 22 10.471 2.486 12.260 1.00 0.00 H new ATOM 0 HG22 THR A 22 9.235 1.431 12.986 1.00 0.00 H new ATOM 0 HG23 THR A 22 8.983 2.111 11.360 1.00 0.00 H new ATOM 329 N TYR A 23 6.998 4.947 14.917 1.00 0.00 N ATOM 330 CA TYR A 23 6.713 6.221 15.560 1.00 0.00 C ATOM 331 C TYR A 23 7.598 7.336 14.991 1.00 0.00 C ATOM 332 O TYR A 23 7.557 8.463 15.480 1.00 0.00 O ATOM 333 CB TYR A 23 6.901 6.084 17.073 1.00 0.00 C ATOM 334 CG TYR A 23 8.312 5.744 17.502 1.00 0.00 C ATOM 335 CD1 TYR A 23 8.730 4.406 17.565 1.00 0.00 C ATOM 336 CD2 TYR A 23 9.208 6.771 17.834 1.00 0.00 C ATOM 337 CE1 TYR A 23 10.041 4.092 17.945 1.00 0.00 C ATOM 338 CE2 TYR A 23 10.520 6.467 18.220 1.00 0.00 C ATOM 339 CZ TYR A 23 10.944 5.124 18.272 1.00 0.00 C ATOM 340 OH TYR A 23 12.221 4.831 18.646 1.00 0.00 O ATOM 0 H TYR A 23 7.482 4.287 15.525 1.00 0.00 H new ATOM 0 HA TYR A 23 5.678 6.496 15.357 1.00 0.00 H new ATOM 0 HB2 TYR A 23 6.605 7.019 17.549 1.00 0.00 H new ATOM 0 HB3 TYR A 23 6.227 5.311 17.442 1.00 0.00 H new ATOM 0 HD1 TYR A 23 8.038 3.614 17.319 1.00 0.00 H new ATOM 0 HD2 TYR A 23 8.885 7.801 17.792 1.00 0.00 H new ATOM 0 HE1 TYR A 23 10.360 3.061 17.987 1.00 0.00 H new ATOM 0 HE2 TYR A 23 11.206 7.261 18.477 1.00 0.00 H new ATOM 0 HH TYR A 23 12.706 5.662 18.834 1.00 0.00 H new ATOM 350 N ARG A 24 8.398 7.022 13.964 1.00 0.00 N ATOM 351 CA ARG A 24 9.281 7.970 13.291 1.00 0.00 C ATOM 352 C ARG A 24 8.947 8.051 11.804 1.00 0.00 C ATOM 353 O ARG A 24 9.566 8.826 11.076 1.00 0.00 O ATOM 354 CB ARG A 24 10.738 7.541 13.483 1.00 0.00 C ATOM 355 CG ARG A 24 11.151 7.442 14.952 1.00 0.00 C ATOM 356 CD ARG A 24 11.003 8.791 15.652 1.00 0.00 C ATOM 357 NE ARG A 24 11.859 9.813 15.043 1.00 0.00 N ATOM 358 CZ ARG A 24 11.670 11.128 15.192 1.00 0.00 C ATOM 359 NH1 ARG A 24 10.664 11.595 15.924 1.00 0.00 N ATOM 360 NH2 ARG A 24 12.500 11.986 14.602 1.00 0.00 N ATOM 0 H ARG A 24 8.447 6.081 13.573 1.00 0.00 H new ATOM 0 HA ARG A 24 9.137 8.958 13.728 1.00 0.00 H new ATOM 0 HB2 ARG A 24 10.891 6.574 13.004 1.00 0.00 H new ATOM 0 HB3 ARG A 24 11.389 8.254 12.977 1.00 0.00 H new ATOM 0 HG2 ARG A 24 10.537 6.696 15.457 1.00 0.00 H new ATOM 0 HG3 ARG A 24 12.185 7.103 15.021 1.00 0.00 H new ATOM 0 HD2 ARG A 24 9.963 9.113 15.606 1.00 0.00 H new ATOM 0 HD3 ARG A 24 11.257 8.684 16.706 1.00 0.00 H new ATOM 0 HE ARG A 24 12.645 9.503 14.472 1.00 0.00 H new ATOM 0 HH11 ARG A 24 10.023 10.947 16.382 1.00 0.00 H new ATOM 0 HH12 ARG A 24 10.533 12.601 16.028 1.00 0.00 H new ATOM 0 HH21 ARG A 24 13.276 11.639 14.039 1.00 0.00 H new ATOM 0 HH22 ARG A 24 12.359 12.990 14.713 1.00 0.00 H new ATOM 374 N THR A 25 7.974 7.258 11.352 1.00 0.00 N ATOM 375 CA THR A 25 7.448 7.332 9.996 1.00 0.00 C ATOM 376 C THR A 25 6.032 7.907 10.081 1.00 0.00 C ATOM 377 O THR A 25 5.457 7.984 11.165 1.00 0.00 O ATOM 378 CB THR A 25 7.496 5.954 9.329 1.00 0.00 C ATOM 379 OG1 THR A 25 8.790 5.411 9.463 1.00 0.00 O ATOM 380 CG2 THR A 25 7.181 6.026 7.831 1.00 0.00 C ATOM 0 H THR A 25 7.528 6.542 11.925 1.00 0.00 H new ATOM 0 HA THR A 25 8.054 7.986 9.369 1.00 0.00 H new ATOM 0 HB THR A 25 6.746 5.335 9.821 1.00 0.00 H new ATOM 0 HG1 THR A 25 8.927 5.116 10.388 1.00 0.00 H new ATOM 0 HG21 THR A 25 7.227 5.025 7.401 1.00 0.00 H new ATOM 0 HG22 THR A 25 6.181 6.437 7.689 1.00 0.00 H new ATOM 0 HG23 THR A 25 7.910 6.667 7.336 1.00 0.00 H new ATOM 387 N SER A 26 5.463 8.316 8.944 1.00 0.00 N ATOM 388 CA SER A 26 4.210 9.059 8.920 1.00 0.00 C ATOM 389 C SER A 26 3.445 8.780 7.629 1.00 0.00 C ATOM 390 O SER A 26 4.018 8.270 6.670 1.00 0.00 O ATOM 391 CB SER A 26 4.545 10.553 9.020 1.00 0.00 C ATOM 392 OG SER A 26 5.112 10.839 10.286 1.00 0.00 O ATOM 0 H SER A 26 5.859 8.140 8.021 1.00 0.00 H new ATOM 0 HA SER A 26 3.580 8.752 9.755 1.00 0.00 H new ATOM 0 HB2 SER A 26 5.242 10.832 8.229 1.00 0.00 H new ATOM 0 HB3 SER A 26 3.643 11.147 8.874 1.00 0.00 H new ATOM 0 HG SER A 26 5.324 11.794 10.341 1.00 0.00 H new ATOM 398 N PRO A 27 2.145 9.114 7.582 1.00 0.00 N ATOM 399 CA PRO A 27 1.331 8.907 6.402 1.00 0.00 C ATOM 400 C PRO A 27 1.764 9.812 5.248 1.00 0.00 C ATOM 401 O PRO A 27 1.398 9.554 4.105 1.00 0.00 O ATOM 402 CB PRO A 27 -0.107 9.189 6.844 1.00 0.00 C ATOM 403 CG PRO A 27 0.056 10.136 8.032 1.00 0.00 C ATOM 404 CD PRO A 27 1.372 9.692 8.664 1.00 0.00 C ATOM 0 HA PRO A 27 1.435 7.893 6.017 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -0.689 9.647 6.044 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -0.624 8.273 7.130 1.00 0.00 H new ATOM 0 HG2 PRO A 27 0.095 11.177 7.713 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -0.775 10.049 8.732 1.00 0.00 H new ATOM 0 HD2 PRO A 27 1.896 10.536 9.114 1.00 0.00 H new ATOM 0 HD3 PRO A 27 1.201 8.964 9.457 1.00 0.00 H new ATOM 412 N ASP A 28 2.539 10.868 5.523 1.00 0.00 N ATOM 413 CA ASP A 28 3.091 11.702 4.467 1.00 0.00 C ATOM 414 C ASP A 28 4.244 10.953 3.819 1.00 0.00 C ATOM 415 O ASP A 28 4.476 11.065 2.615 1.00 0.00 O ATOM 416 CB ASP A 28 3.620 13.008 5.060 1.00 0.00 C ATOM 417 CG ASP A 28 4.197 13.906 3.966 1.00 0.00 C ATOM 418 OD1 ASP A 28 3.406 14.667 3.362 1.00 0.00 O ATOM 419 OD2 ASP A 28 5.427 13.831 3.740 1.00 0.00 O ATOM 0 H ASP A 28 2.793 11.159 6.467 1.00 0.00 H new ATOM 0 HA ASP A 28 2.317 11.928 3.733 1.00 0.00 H new ATOM 0 HB2 ASP A 28 2.815 13.530 5.578 1.00 0.00 H new ATOM 0 HB3 ASP A 28 4.389 12.791 5.802 1.00 0.00 H new ATOM 424 N THR A 29 4.968 10.178 4.628 1.00 0.00 N ATOM 425 CA THR A 29 6.066 9.391 4.117 1.00 0.00 C ATOM 426 C THR A 29 5.483 8.325 3.207 1.00 0.00 C ATOM 427 O THR A 29 5.952 8.159 2.088 1.00 0.00 O ATOM 428 CB THR A 29 6.843 8.718 5.248 1.00 0.00 C ATOM 429 OG1 THR A 29 6.767 9.470 6.437 1.00 0.00 O ATOM 430 CG2 THR A 29 8.310 8.582 4.853 1.00 0.00 C ATOM 0 H THR A 29 4.807 10.086 5.631 1.00 0.00 H new ATOM 0 HA THR A 29 6.757 10.041 3.580 1.00 0.00 H new ATOM 0 HB THR A 29 6.400 7.737 5.420 1.00 0.00 H new ATOM 0 HG1 THR A 29 7.395 9.106 7.095 1.00 0.00 H new ATOM 0 HG21 THR A 29 8.861 8.102 5.661 1.00 0.00 H new ATOM 0 HG22 THR A 29 8.389 7.977 3.950 1.00 0.00 H new ATOM 0 HG23 THR A 29 8.729 9.570 4.665 1.00 0.00 H new ATOM 437 N LEU A 30 4.459 7.607 3.674 1.00 0.00 N ATOM 438 CA LEU A 30 3.864 6.543 2.882 1.00 0.00 C ATOM 439 C LEU A 30 3.243 7.099 1.607 1.00 0.00 C ATOM 440 O LEU A 30 3.227 6.429 0.584 1.00 0.00 O ATOM 441 CB LEU A 30 2.798 5.808 3.695 1.00 0.00 C ATOM 442 CG LEU A 30 3.328 5.272 5.028 1.00 0.00 C ATOM 443 CD1 LEU A 30 2.161 4.657 5.791 1.00 0.00 C ATOM 444 CD2 LEU A 30 4.409 4.217 4.808 1.00 0.00 C ATOM 0 H LEU A 30 4.032 7.746 4.590 1.00 0.00 H new ATOM 0 HA LEU A 30 4.654 5.843 2.610 1.00 0.00 H new ATOM 0 HB2 LEU A 30 1.965 6.484 3.887 1.00 0.00 H new ATOM 0 HB3 LEU A 30 2.407 4.979 3.106 1.00 0.00 H new ATOM 0 HG LEU A 30 3.772 6.091 5.593 1.00 0.00 H new ATOM 0 HD11 LEU A 30 2.515 4.268 6.746 1.00 0.00 H new ATOM 0 HD12 LEU A 30 1.401 5.418 5.969 1.00 0.00 H new ATOM 0 HD13 LEU A 30 1.731 3.845 5.205 1.00 0.00 H new ATOM 0 HD21 LEU A 30 4.766 3.855 5.772 1.00 0.00 H new ATOM 0 HD22 LEU A 30 3.995 3.385 4.239 1.00 0.00 H new ATOM 0 HD23 LEU A 30 5.239 4.657 4.255 1.00 0.00 H new ATOM 456 N ARG A 31 2.728 8.329 1.658 1.00 0.00 N ATOM 457 CA ARG A 31 2.089 8.949 0.504 1.00 0.00 C ATOM 458 C ARG A 31 3.095 9.079 -0.633 1.00 0.00 C ATOM 459 O ARG A 31 2.756 8.855 -1.794 1.00 0.00 O ATOM 460 CB ARG A 31 1.536 10.314 0.933 1.00 0.00 C ATOM 461 CG ARG A 31 1.000 11.146 -0.230 1.00 0.00 C ATOM 462 CD ARG A 31 -0.122 10.417 -0.967 1.00 0.00 C ATOM 463 NE ARG A 31 -0.693 11.259 -2.024 1.00 0.00 N ATOM 464 CZ ARG A 31 -0.103 11.487 -3.196 1.00 0.00 C ATOM 465 NH1 ARG A 31 1.070 10.928 -3.489 1.00 0.00 N ATOM 466 NH2 ARG A 31 -0.676 12.282 -4.096 1.00 0.00 N ATOM 0 H ARG A 31 2.743 8.915 2.493 1.00 0.00 H new ATOM 0 HA ARG A 31 1.265 8.335 0.141 1.00 0.00 H new ATOM 0 HB2 ARG A 31 0.737 10.162 1.659 1.00 0.00 H new ATOM 0 HB3 ARG A 31 2.323 10.874 1.438 1.00 0.00 H new ATOM 0 HG2 ARG A 31 0.631 12.101 0.144 1.00 0.00 H new ATOM 0 HG3 ARG A 31 1.810 11.367 -0.925 1.00 0.00 H new ATOM 0 HD2 ARG A 31 0.263 9.494 -1.401 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -0.903 10.135 -0.260 1.00 0.00 H new ATOM 0 HE ARG A 31 -1.598 11.697 -1.851 1.00 0.00 H new ATOM 0 HH11 ARG A 31 1.527 10.317 -2.812 1.00 0.00 H new ATOM 0 HH12 ARG A 31 1.511 11.111 -4.390 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -1.573 12.722 -3.890 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -0.218 12.452 -4.991 1.00 0.00 H new ATOM 480 N ARG A 32 4.335 9.438 -0.301 1.00 0.00 N ATOM 481 CA ARG A 32 5.397 9.667 -1.275 1.00 0.00 C ATOM 482 C ARG A 32 6.153 8.380 -1.582 1.00 0.00 C ATOM 483 O ARG A 32 6.541 8.137 -2.724 1.00 0.00 O ATOM 484 CB ARG A 32 6.320 10.709 -0.647 1.00 0.00 C ATOM 485 CG ARG A 32 7.529 11.045 -1.515 1.00 0.00 C ATOM 486 CD ARG A 32 8.425 12.030 -0.756 1.00 0.00 C ATOM 487 NE ARG A 32 7.745 13.315 -0.529 1.00 0.00 N ATOM 488 CZ ARG A 32 7.130 13.672 0.603 1.00 0.00 C ATOM 489 NH1 ARG A 32 7.095 12.861 1.657 1.00 0.00 N ATOM 490 NH2 ARG A 32 6.537 14.855 0.692 1.00 0.00 N ATOM 0 H ARG A 32 4.632 9.579 0.665 1.00 0.00 H new ATOM 0 HA ARG A 32 4.993 10.013 -2.226 1.00 0.00 H new ATOM 0 HB2 ARG A 32 5.753 11.620 -0.458 1.00 0.00 H new ATOM 0 HB3 ARG A 32 6.666 10.343 0.320 1.00 0.00 H new ATOM 0 HG2 ARG A 32 8.084 10.138 -1.756 1.00 0.00 H new ATOM 0 HG3 ARG A 32 7.205 11.481 -2.460 1.00 0.00 H new ATOM 0 HD2 ARG A 32 8.714 11.596 0.201 1.00 0.00 H new ATOM 0 HD3 ARG A 32 9.342 12.198 -1.320 1.00 0.00 H new ATOM 0 HE ARG A 32 7.743 13.987 -1.296 1.00 0.00 H new ATOM 0 HH11 ARG A 32 7.543 11.946 1.611 1.00 0.00 H new ATOM 0 HH12 ARG A 32 6.620 13.154 2.511 1.00 0.00 H new ATOM 0 HH21 ARG A 32 6.550 15.493 -0.104 1.00 0.00 H new ATOM 0 HH22 ARG A 32 6.068 15.127 1.556 1.00 0.00 H new ATOM 504 N VAL A 33 6.357 7.552 -0.558 1.00 0.00 N ATOM 505 CA VAL A 33 7.011 6.253 -0.666 1.00 0.00 C ATOM 506 C VAL A 33 6.236 5.329 -1.597 1.00 0.00 C ATOM 507 O VAL A 33 6.845 4.551 -2.328 1.00 0.00 O ATOM 508 CB VAL A 33 7.086 5.634 0.737 1.00 0.00 C ATOM 509 CG1 VAL A 33 7.349 4.132 0.710 1.00 0.00 C ATOM 510 CG2 VAL A 33 8.175 6.305 1.562 1.00 0.00 C ATOM 0 H VAL A 33 6.064 7.774 0.393 1.00 0.00 H new ATOM 0 HA VAL A 33 8.011 6.384 -1.081 1.00 0.00 H new ATOM 0 HB VAL A 33 6.109 5.798 1.191 1.00 0.00 H new ATOM 0 HG11 VAL A 33 7.391 3.752 1.731 1.00 0.00 H new ATOM 0 HG12 VAL A 33 6.546 3.632 0.169 1.00 0.00 H new ATOM 0 HG13 VAL A 33 8.298 3.938 0.211 1.00 0.00 H new ATOM 0 HG21 VAL A 33 8.212 5.852 2.553 1.00 0.00 H new ATOM 0 HG22 VAL A 33 9.138 6.176 1.068 1.00 0.00 H new ATOM 0 HG23 VAL A 33 7.956 7.369 1.657 1.00 0.00 H new ATOM 520 N PHE A 34 4.903 5.406 -1.579 1.00 0.00 N ATOM 521 CA PHE A 34 4.059 4.510 -2.354 1.00 0.00 C ATOM 522 C PHE A 34 3.540 5.176 -3.630 1.00 0.00 C ATOM 523 O PHE A 34 3.002 4.497 -4.505 1.00 0.00 O ATOM 524 CB PHE A 34 2.907 4.027 -1.479 1.00 0.00 C ATOM 525 CG PHE A 34 3.306 2.924 -0.516 1.00 0.00 C ATOM 526 CD1 PHE A 34 3.950 3.236 0.692 1.00 0.00 C ATOM 527 CD2 PHE A 34 3.043 1.586 -0.837 1.00 0.00 C ATOM 528 CE1 PHE A 34 4.333 2.215 1.574 1.00 0.00 C ATOM 529 CE2 PHE A 34 3.413 0.566 0.046 1.00 0.00 C ATOM 530 CZ PHE A 34 4.065 0.877 1.245 1.00 0.00 C ATOM 0 H PHE A 34 4.386 6.090 -1.027 1.00 0.00 H new ATOM 0 HA PHE A 34 4.657 3.656 -2.671 1.00 0.00 H new ATOM 0 HB2 PHE A 34 2.513 4.870 -0.912 1.00 0.00 H new ATOM 0 HB3 PHE A 34 2.100 3.668 -2.118 1.00 0.00 H new ATOM 0 HD1 PHE A 34 4.151 4.267 0.943 1.00 0.00 H new ATOM 0 HD2 PHE A 34 2.554 1.341 -1.768 1.00 0.00 H new ATOM 0 HE1 PHE A 34 4.831 2.457 2.501 1.00 0.00 H new ATOM 0 HE2 PHE A 34 3.195 -0.463 -0.198 1.00 0.00 H new ATOM 0 HZ PHE A 34 4.362 0.086 1.918 1.00 0.00 H new ATOM 540 N GLU A 35 3.699 6.494 -3.749 1.00 0.00 N ATOM 541 CA GLU A 35 3.315 7.216 -4.958 1.00 0.00 C ATOM 542 C GLU A 35 4.071 6.703 -6.189 1.00 0.00 C ATOM 543 O GLU A 35 3.532 6.713 -7.295 1.00 0.00 O ATOM 544 CB GLU A 35 3.589 8.713 -4.762 1.00 0.00 C ATOM 545 CG GLU A 35 3.452 9.495 -6.067 1.00 0.00 C ATOM 546 CD GLU A 35 3.543 10.997 -5.816 1.00 0.00 C ATOM 547 OE1 GLU A 35 4.684 11.501 -5.706 1.00 0.00 O ATOM 548 OE2 GLU A 35 2.469 11.636 -5.737 1.00 0.00 O ATOM 0 H GLU A 35 4.094 7.085 -3.017 1.00 0.00 H new ATOM 0 HA GLU A 35 2.252 7.050 -5.132 1.00 0.00 H new ATOM 0 HB2 GLU A 35 2.895 9.115 -4.024 1.00 0.00 H new ATOM 0 HB3 GLU A 35 4.594 8.848 -4.362 1.00 0.00 H new ATOM 0 HG2 GLU A 35 4.235 9.191 -6.762 1.00 0.00 H new ATOM 0 HG3 GLU A 35 2.498 9.259 -6.538 1.00 0.00 H new ATOM 555 N LYS A 36 5.315 6.253 -6.008 1.00 0.00 N ATOM 556 CA LYS A 36 6.161 5.837 -7.120 1.00 0.00 C ATOM 557 C LYS A 36 5.659 4.550 -7.770 1.00 0.00 C ATOM 558 O LYS A 36 6.010 4.251 -8.910 1.00 0.00 O ATOM 559 CB LYS A 36 7.595 5.672 -6.619 1.00 0.00 C ATOM 560 CG LYS A 36 7.747 4.454 -5.708 1.00 0.00 C ATOM 561 CD LYS A 36 9.173 4.329 -5.169 1.00 0.00 C ATOM 562 CE LYS A 36 9.518 5.521 -4.277 1.00 0.00 C ATOM 563 NZ LYS A 36 10.876 5.385 -3.717 1.00 0.00 N ATOM 0 H LYS A 36 5.758 6.169 -5.093 1.00 0.00 H new ATOM 0 HA LYS A 36 6.127 6.608 -7.890 1.00 0.00 H new ATOM 0 HB2 LYS A 36 8.268 5.574 -7.471 1.00 0.00 H new ATOM 0 HB3 LYS A 36 7.895 6.569 -6.078 1.00 0.00 H new ATOM 0 HG2 LYS A 36 7.048 4.532 -4.875 1.00 0.00 H new ATOM 0 HG3 LYS A 36 7.485 3.551 -6.260 1.00 0.00 H new ATOM 0 HD2 LYS A 36 9.273 3.403 -4.603 1.00 0.00 H new ATOM 0 HD3 LYS A 36 9.877 4.273 -5.999 1.00 0.00 H new ATOM 0 HE2 LYS A 36 9.449 6.443 -4.853 1.00 0.00 H new ATOM 0 HE3 LYS A 36 8.792 5.596 -3.467 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 11.087 6.206 -3.115 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 10.932 4.516 -3.149 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 11.568 5.337 -4.492 1.00 0.00 H new ATOM 577 N TYR A 37 4.836 3.796 -7.039 1.00 0.00 N ATOM 578 CA TYR A 37 4.260 2.554 -7.530 1.00 0.00 C ATOM 579 C TYR A 37 3.063 2.829 -8.435 1.00 0.00 C ATOM 580 O TYR A 37 2.588 1.918 -9.116 1.00 0.00 O ATOM 581 CB TYR A 37 3.881 1.660 -6.348 1.00 0.00 C ATOM 582 CG TYR A 37 5.086 1.244 -5.539 1.00 0.00 C ATOM 583 CD1 TYR A 37 5.671 2.141 -4.636 1.00 0.00 C ATOM 584 CD2 TYR A 37 5.623 -0.041 -5.702 1.00 0.00 C ATOM 585 CE1 TYR A 37 6.814 1.775 -3.914 1.00 0.00 C ATOM 586 CE2 TYR A 37 6.765 -0.419 -4.980 1.00 0.00 C ATOM 587 CZ TYR A 37 7.378 0.496 -4.098 1.00 0.00 C ATOM 588 OH TYR A 37 8.511 0.146 -3.428 1.00 0.00 O ATOM 0 H TYR A 37 4.553 4.035 -6.089 1.00 0.00 H new ATOM 0 HA TYR A 37 5.002 2.030 -8.133 1.00 0.00 H new ATOM 0 HB2 TYR A 37 3.179 2.190 -5.704 1.00 0.00 H new ATOM 0 HB3 TYR A 37 3.368 0.771 -6.716 1.00 0.00 H new ATOM 0 HD1 TYR A 37 5.238 3.120 -4.496 1.00 0.00 H new ATOM 0 HD2 TYR A 37 5.158 -0.739 -6.383 1.00 0.00 H new ATOM 0 HE1 TYR A 37 7.262 2.470 -3.219 1.00 0.00 H new ATOM 0 HE2 TYR A 37 7.175 -1.411 -5.099 1.00 0.00 H new ATOM 0 HH TYR A 37 8.272 -0.219 -2.550 1.00 0.00 H new ATOM 598 N GLY A 38 2.572 4.072 -8.452 1.00 0.00 N ATOM 599 CA GLY A 38 1.511 4.471 -9.363 1.00 0.00 C ATOM 600 C GLY A 38 0.710 5.632 -8.794 1.00 0.00 C ATOM 601 O GLY A 38 0.984 6.794 -9.091 1.00 0.00 O ATOM 0 H GLY A 38 2.899 4.818 -7.839 1.00 0.00 H new ATOM 0 HA2 GLY A 38 1.940 4.757 -10.323 1.00 0.00 H new ATOM 0 HA3 GLY A 38 0.849 3.625 -9.549 1.00 0.00 H new ATOM 605 N ARG A 39 -0.286 5.297 -7.968 1.00 0.00 N ATOM 606 CA ARG A 39 -1.087 6.259 -7.231 1.00 0.00 C ATOM 607 C ARG A 39 -1.591 5.575 -5.963 1.00 0.00 C ATOM 608 O ARG A 39 -2.259 4.545 -6.038 1.00 0.00 O ATOM 609 CB ARG A 39 -2.228 6.788 -8.114 1.00 0.00 C ATOM 610 CG ARG A 39 -3.303 5.732 -8.403 1.00 0.00 C ATOM 611 CD ARG A 39 -4.295 6.246 -9.446 1.00 0.00 C ATOM 612 NE ARG A 39 -3.680 6.319 -10.775 1.00 0.00 N ATOM 613 CZ ARG A 39 -3.709 5.331 -11.679 1.00 0.00 C ATOM 614 NH1 ARG A 39 -4.332 4.188 -11.413 1.00 0.00 N ATOM 615 NH2 ARG A 39 -3.112 5.477 -12.857 1.00 0.00 N ATOM 0 H ARG A 39 -0.557 4.329 -7.795 1.00 0.00 H new ATOM 0 HA ARG A 39 -0.495 7.129 -6.946 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -2.691 7.645 -7.625 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -1.814 7.145 -9.057 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -2.833 4.816 -8.760 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -3.831 5.482 -7.483 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -5.163 5.588 -9.480 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -4.654 7.233 -9.154 1.00 0.00 H new ATOM 0 HE ARG A 39 -3.197 7.181 -11.028 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -4.794 4.056 -10.513 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -4.348 3.442 -12.109 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -2.627 6.346 -13.079 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -3.139 4.720 -13.540 1.00 0.00 H new ATOM 629 N VAL A 40 -1.264 6.137 -4.801 1.00 0.00 N ATOM 630 CA VAL A 40 -1.623 5.536 -3.523 1.00 0.00 C ATOM 631 C VAL A 40 -3.128 5.324 -3.386 1.00 0.00 C ATOM 632 O VAL A 40 -3.548 4.539 -2.546 1.00 0.00 O ATOM 633 CB VAL A 40 -1.113 6.377 -2.348 1.00 0.00 C ATOM 634 CG1 VAL A 40 0.387 6.636 -2.487 1.00 0.00 C ATOM 635 CG2 VAL A 40 -1.850 7.713 -2.228 1.00 0.00 C ATOM 0 H VAL A 40 -0.748 7.013 -4.721 1.00 0.00 H new ATOM 0 HA VAL A 40 -1.140 4.559 -3.499 1.00 0.00 H new ATOM 0 HB VAL A 40 -1.307 5.803 -1.442 1.00 0.00 H new ATOM 0 HG11 VAL A 40 0.733 7.235 -1.644 1.00 0.00 H new ATOM 0 HG12 VAL A 40 0.921 5.686 -2.500 1.00 0.00 H new ATOM 0 HG13 VAL A 40 0.579 7.173 -3.416 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -1.453 8.273 -1.381 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -1.709 8.290 -3.142 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -2.914 7.529 -2.075 1.00 0.00 H new ATOM 645 N GLY A 41 -3.921 6.017 -4.208 1.00 0.00 N ATOM 646 CA GLY A 41 -5.371 5.931 -4.236 1.00 0.00 C ATOM 647 C GLY A 41 -6.008 6.639 -3.043 1.00 0.00 C ATOM 648 O GLY A 41 -6.840 7.529 -3.212 1.00 0.00 O ATOM 0 H GLY A 41 -3.551 6.675 -4.894 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -5.743 6.373 -5.161 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -5.672 4.883 -4.239 1.00 0.00 H new ATOM 652 N ASP A 42 -5.615 6.238 -1.834 1.00 0.00 N ATOM 653 CA ASP A 42 -6.035 6.871 -0.594 1.00 0.00 C ATOM 654 C ASP A 42 -4.986 6.591 0.478 1.00 0.00 C ATOM 655 O ASP A 42 -4.155 5.696 0.321 1.00 0.00 O ATOM 656 CB ASP A 42 -7.401 6.329 -0.176 1.00 0.00 C ATOM 657 CG ASP A 42 -7.988 7.137 0.982 1.00 0.00 C ATOM 658 OD1 ASP A 42 -8.310 8.320 0.742 1.00 0.00 O ATOM 659 OD2 ASP A 42 -8.107 6.571 2.090 1.00 0.00 O ATOM 0 H ASP A 42 -4.984 5.449 -1.692 1.00 0.00 H new ATOM 0 HA ASP A 42 -6.126 7.949 -0.731 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -8.083 6.360 -1.026 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -7.306 5.284 0.118 1.00 0.00 H new ATOM 664 N VAL A 43 -5.015 7.353 1.574 1.00 0.00 N ATOM 665 CA VAL A 43 -4.044 7.209 2.648 1.00 0.00 C ATOM 666 C VAL A 43 -4.688 7.566 3.981 1.00 0.00 C ATOM 667 O VAL A 43 -5.188 8.674 4.160 1.00 0.00 O ATOM 668 CB VAL A 43 -2.802 8.065 2.343 1.00 0.00 C ATOM 669 CG1 VAL A 43 -3.187 9.479 1.895 1.00 0.00 C ATOM 670 CG2 VAL A 43 -1.869 8.127 3.552 1.00 0.00 C ATOM 0 H VAL A 43 -5.710 8.082 1.736 1.00 0.00 H new ATOM 0 HA VAL A 43 -3.714 6.173 2.719 1.00 0.00 H new ATOM 0 HB VAL A 43 -2.273 7.584 1.520 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -2.284 10.054 1.689 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -3.795 9.422 0.992 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -3.756 9.969 2.685 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -0.999 8.738 3.310 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -2.398 8.567 4.397 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -1.544 7.120 3.812 1.00 0.00 H new ATOM 680 N TYR A 44 -4.676 6.615 4.922 1.00 0.00 N ATOM 681 CA TYR A 44 -5.239 6.833 6.246 1.00 0.00 C ATOM 682 C TYR A 44 -4.459 6.081 7.319 1.00 0.00 C ATOM 683 O TYR A 44 -3.614 5.239 7.017 1.00 0.00 O ATOM 684 CB TYR A 44 -6.708 6.410 6.259 1.00 0.00 C ATOM 685 CG TYR A 44 -7.466 7.039 7.405 1.00 0.00 C ATOM 686 CD1 TYR A 44 -7.537 8.438 7.493 1.00 0.00 C ATOM 687 CD2 TYR A 44 -8.080 6.243 8.379 1.00 0.00 C ATOM 688 CE1 TYR A 44 -8.212 9.047 8.558 1.00 0.00 C ATOM 689 CE2 TYR A 44 -8.770 6.841 9.447 1.00 0.00 C ATOM 690 CZ TYR A 44 -8.835 8.248 9.539 1.00 0.00 C ATOM 691 OH TYR A 44 -9.488 8.840 10.577 1.00 0.00 O ATOM 0 H TYR A 44 -4.279 5.686 4.784 1.00 0.00 H new ATOM 0 HA TYR A 44 -5.167 7.896 6.475 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -7.176 6.693 5.316 1.00 0.00 H new ATOM 0 HB3 TYR A 44 -6.772 5.324 6.334 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -7.068 9.048 6.735 1.00 0.00 H new ATOM 0 HD2 TYR A 44 -8.023 5.167 8.309 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -8.255 10.124 8.628 1.00 0.00 H new ATOM 0 HE2 TYR A 44 -9.249 6.226 10.195 1.00 0.00 H new ATOM 0 HH TYR A 44 -9.847 9.705 10.287 1.00 0.00 H new ATOM 701 N ILE A 45 -4.757 6.396 8.580 1.00 0.00 N ATOM 702 CA ILE A 45 -4.216 5.721 9.752 1.00 0.00 C ATOM 703 C ILE A 45 -5.349 5.625 10.770 1.00 0.00 C ATOM 704 O ILE A 45 -5.607 6.586 11.493 1.00 0.00 O ATOM 705 CB ILE A 45 -2.993 6.458 10.325 1.00 0.00 C ATOM 706 CG1 ILE A 45 -1.830 6.370 9.326 1.00 0.00 C ATOM 707 CG2 ILE A 45 -2.590 5.816 11.657 1.00 0.00 C ATOM 708 CD1 ILE A 45 -0.563 7.061 9.834 1.00 0.00 C ATOM 0 H ILE A 45 -5.401 7.151 8.817 1.00 0.00 H new ATOM 0 HA ILE A 45 -3.856 4.727 9.487 1.00 0.00 H new ATOM 0 HB ILE A 45 -3.240 7.506 10.494 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -1.610 5.322 9.121 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -2.132 6.823 8.382 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -1.724 6.337 12.065 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -3.420 5.886 12.360 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -2.340 4.768 11.495 1.00 0.00 H new ATOM 0 HD11 ILE A 45 0.226 6.968 9.088 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -0.771 8.116 10.013 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -0.241 6.592 10.764 1.00 0.00 H new ATOM 720 N PRO A 46 -6.027 4.472 10.824 1.00 0.00 N ATOM 721 CA PRO A 46 -7.100 4.130 11.753 1.00 0.00 C ATOM 722 C PRO A 46 -6.803 4.284 13.245 1.00 0.00 C ATOM 723 O PRO A 46 -7.537 3.730 14.060 1.00 0.00 O ATOM 724 CB PRO A 46 -7.463 2.676 11.444 1.00 0.00 C ATOM 725 CG PRO A 46 -7.057 2.508 9.986 1.00 0.00 C ATOM 726 CD PRO A 46 -5.804 3.372 9.901 1.00 0.00 C ATOM 0 HA PRO A 46 -7.906 4.846 11.593 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -6.927 1.983 12.092 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -8.527 2.489 11.588 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -6.852 1.467 9.738 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -7.835 2.851 9.304 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -4.916 2.803 10.176 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -5.647 3.737 8.886 1.00 0.00 H new ATOM 734 N ARG A 47 -5.750 5.012 13.634 1.00 0.00 N ATOM 735 CA ARG A 47 -5.439 5.216 15.044 1.00 0.00 C ATOM 736 C ARG A 47 -6.624 5.876 15.746 1.00 0.00 C ATOM 737 O ARG A 47 -7.478 6.478 15.099 1.00 0.00 O ATOM 738 CB ARG A 47 -4.134 5.999 15.222 1.00 0.00 C ATOM 739 CG ARG A 47 -4.203 7.416 14.646 1.00 0.00 C ATOM 740 CD ARG A 47 -2.816 8.051 14.734 1.00 0.00 C ATOM 741 NE ARG A 47 -2.744 9.302 13.964 1.00 0.00 N ATOM 742 CZ ARG A 47 -2.012 10.367 14.303 1.00 0.00 C ATOM 743 NH1 ARG A 47 -1.281 10.382 15.417 1.00 0.00 N ATOM 744 NH2 ARG A 47 -2.011 11.442 13.518 1.00 0.00 N ATOM 0 H ARG A 47 -5.103 5.467 12.990 1.00 0.00 H new ATOM 0 HA ARG A 47 -5.273 4.247 15.516 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -3.893 6.056 16.283 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -3.322 5.456 14.739 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -4.539 7.386 13.610 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -4.928 8.014 15.199 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -2.572 8.251 15.777 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -2.070 7.350 14.361 1.00 0.00 H new ATOM 0 HE ARG A 47 -3.294 9.361 13.107 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -1.272 9.568 16.032 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -0.730 11.207 15.655 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -2.567 11.450 12.663 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -1.454 12.258 13.772 1.00 0.00 H new ATOM 758 N ASP A 48 -6.678 5.765 17.075 1.00 0.00 N ATOM 759 CA ASP A 48 -7.833 6.205 17.845 1.00 0.00 C ATOM 760 C ASP A 48 -8.147 7.676 17.591 1.00 0.00 C ATOM 761 O ASP A 48 -7.271 8.535 17.676 1.00 0.00 O ATOM 762 CB ASP A 48 -7.578 5.960 19.327 1.00 0.00 C ATOM 763 CG ASP A 48 -7.473 4.467 19.632 1.00 0.00 C ATOM 764 OD1 ASP A 48 -6.378 3.910 19.402 1.00 0.00 O ATOM 765 OD2 ASP A 48 -8.490 3.901 20.091 1.00 0.00 O ATOM 0 H ASP A 48 -5.926 5.370 17.640 1.00 0.00 H new ATOM 0 HA ASP A 48 -8.701 5.628 17.526 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -6.658 6.460 19.628 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -8.385 6.398 19.914 1.00 0.00 H new ATOM 770 N ARG A 49 -9.413 7.950 17.274 1.00 0.00 N ATOM 771 CA ARG A 49 -9.913 9.264 16.896 1.00 0.00 C ATOM 772 C ARG A 49 -9.868 10.276 18.049 1.00 0.00 C ATOM 773 O ARG A 49 -10.297 11.416 17.876 1.00 0.00 O ATOM 774 CB ARG A 49 -11.328 9.047 16.352 1.00 0.00 C ATOM 775 CG ARG A 49 -12.013 10.321 15.856 1.00 0.00 C ATOM 776 CD ARG A 49 -13.280 9.909 15.111 1.00 0.00 C ATOM 777 NE ARG A 49 -14.036 11.066 14.634 1.00 0.00 N ATOM 778 CZ ARG A 49 -15.119 11.572 15.227 1.00 0.00 C ATOM 779 NH1 ARG A 49 -15.589 11.065 16.367 1.00 0.00 N ATOM 780 NH2 ARG A 49 -15.745 12.603 14.672 1.00 0.00 N ATOM 0 H ARG A 49 -10.141 7.235 17.275 1.00 0.00 H new ATOM 0 HA ARG A 49 -9.273 9.711 16.135 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -11.284 8.330 15.533 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -11.941 8.600 17.134 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -12.258 10.974 16.694 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -11.348 10.881 15.198 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -13.013 9.276 14.264 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -13.910 9.311 15.770 1.00 0.00 H new ATOM 0 HE ARG A 49 -13.710 11.522 13.782 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -15.119 10.273 16.805 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -16.419 11.469 16.801 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -15.397 13.001 13.800 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -16.574 12.997 15.118 1.00 0.00 H new ATOM 794 N TYR A 50 -9.362 9.887 19.222 1.00 0.00 N ATOM 795 CA TYR A 50 -9.402 10.758 20.396 1.00 0.00 C ATOM 796 C TYR A 50 -8.116 10.702 21.220 1.00 0.00 C ATOM 797 O TYR A 50 -7.941 11.506 22.136 1.00 0.00 O ATOM 798 CB TYR A 50 -10.562 10.352 21.305 1.00 0.00 C ATOM 799 CG TYR A 50 -11.822 9.958 20.573 1.00 0.00 C ATOM 800 CD1 TYR A 50 -12.619 10.934 19.961 1.00 0.00 C ATOM 801 CD2 TYR A 50 -12.183 8.604 20.515 1.00 0.00 C ATOM 802 CE1 TYR A 50 -13.779 10.557 19.275 1.00 0.00 C ATOM 803 CE2 TYR A 50 -13.344 8.222 19.832 1.00 0.00 C ATOM 804 CZ TYR A 50 -14.145 9.196 19.202 1.00 0.00 C ATOM 805 OH TYR A 50 -15.267 8.828 18.523 1.00 0.00 O ATOM 0 H TYR A 50 -8.923 8.980 19.382 1.00 0.00 H new ATOM 0 HA TYR A 50 -9.526 11.774 20.021 1.00 0.00 H new ATOM 0 HB2 TYR A 50 -10.243 9.517 21.929 1.00 0.00 H new ATOM 0 HB3 TYR A 50 -10.790 11.181 21.974 1.00 0.00 H new ATOM 0 HD1 TYR A 50 -12.339 11.975 20.018 1.00 0.00 H new ATOM 0 HD2 TYR A 50 -11.567 7.858 20.996 1.00 0.00 H new ATOM 0 HE1 TYR A 50 -14.394 11.308 18.801 1.00 0.00 H new ATOM 0 HE2 TYR A 50 -13.626 7.180 19.788 1.00 0.00 H new ATOM 0 HH TYR A 50 -15.373 7.855 18.570 1.00 0.00 H new ATOM 815 N THR A 51 -7.222 9.763 20.902 1.00 0.00 N ATOM 816 CA THR A 51 -5.973 9.588 21.628 1.00 0.00 C ATOM 817 C THR A 51 -4.791 9.408 20.676 1.00 0.00 C ATOM 818 O THR A 51 -3.641 9.535 21.092 1.00 0.00 O ATOM 819 CB THR A 51 -6.091 8.401 22.591 1.00 0.00 C ATOM 820 OG1 THR A 51 -6.143 7.197 21.859 1.00 0.00 O ATOM 821 CG2 THR A 51 -7.365 8.490 23.437 1.00 0.00 C ATOM 0 H THR A 51 -7.348 9.105 20.133 1.00 0.00 H new ATOM 0 HA THR A 51 -5.783 10.492 22.206 1.00 0.00 H new ATOM 0 HB THR A 51 -5.220 8.425 23.246 1.00 0.00 H new ATOM 0 HG1 THR A 51 -6.217 6.441 22.478 1.00 0.00 H new ATOM 0 HG21 THR A 51 -7.417 7.633 24.108 1.00 0.00 H new ATOM 0 HG22 THR A 51 -7.349 9.409 24.023 1.00 0.00 H new ATOM 0 HG23 THR A 51 -8.237 8.491 22.783 1.00 0.00 H new ATOM 828 N LYS A 52 -5.088 9.118 19.399 1.00 0.00 N ATOM 829 CA LYS A 52 -4.160 9.036 18.282 1.00 0.00 C ATOM 830 C LYS A 52 -2.780 8.469 18.641 1.00 0.00 C ATOM 831 O LYS A 52 -1.759 8.991 18.194 1.00 0.00 O ATOM 832 CB LYS A 52 -4.045 10.415 17.628 1.00 0.00 C ATOM 833 CG LYS A 52 -5.410 10.945 17.183 1.00 0.00 C ATOM 834 CD LYS A 52 -5.241 12.312 16.518 1.00 0.00 C ATOM 835 CE LYS A 52 -6.610 12.838 16.084 1.00 0.00 C ATOM 836 NZ LYS A 52 -6.489 14.158 15.438 1.00 0.00 N ATOM 0 H LYS A 52 -6.047 8.924 19.111 1.00 0.00 H new ATOM 0 HA LYS A 52 -4.573 8.315 17.577 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -3.594 11.115 18.331 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -3.379 10.355 16.767 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -5.873 10.246 16.486 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -6.076 11.028 18.042 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -4.774 13.011 17.212 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -4.580 12.230 15.655 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -7.072 12.132 15.394 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -7.266 12.912 16.951 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -7.432 14.493 15.153 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -6.069 14.835 16.107 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -5.881 14.079 14.598 1.00 0.00 H new ATOM 850 N GLU A 53 -2.741 7.407 19.448 1.00 0.00 N ATOM 851 CA GLU A 53 -1.498 6.852 19.976 1.00 0.00 C ATOM 852 C GLU A 53 -1.235 5.439 19.437 1.00 0.00 C ATOM 853 O GLU A 53 -0.597 4.623 20.098 1.00 0.00 O ATOM 854 CB GLU A 53 -1.517 6.897 21.507 1.00 0.00 C ATOM 855 CG GLU A 53 -2.671 6.082 22.084 1.00 0.00 C ATOM 856 CD GLU A 53 -2.635 6.094 23.610 1.00 0.00 C ATOM 857 OE1 GLU A 53 -3.109 7.092 24.196 1.00 0.00 O ATOM 858 OE2 GLU A 53 -2.134 5.101 24.189 1.00 0.00 O ATOM 0 H GLU A 53 -3.576 6.907 19.754 1.00 0.00 H new ATOM 0 HA GLU A 53 -0.666 7.466 19.631 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -0.573 6.514 21.894 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -1.601 7.932 21.839 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -3.620 6.490 21.735 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -2.613 5.055 21.723 1.00 0.00 H new ATOM 865 N SER A 54 -1.734 5.158 18.228 1.00 0.00 N ATOM 866 CA SER A 54 -1.650 3.839 17.611 1.00 0.00 C ATOM 867 C SER A 54 -1.082 3.943 16.198 1.00 0.00 C ATOM 868 O SER A 54 -1.488 3.203 15.304 1.00 0.00 O ATOM 869 CB SER A 54 -3.036 3.190 17.624 1.00 0.00 C ATOM 870 OG SER A 54 -3.500 3.086 18.956 1.00 0.00 O ATOM 0 H SER A 54 -2.211 5.849 17.649 1.00 0.00 H new ATOM 0 HA SER A 54 -0.969 3.207 18.181 1.00 0.00 H new ATOM 0 HB2 SER A 54 -3.732 3.784 17.031 1.00 0.00 H new ATOM 0 HB3 SER A 54 -2.990 2.202 17.166 1.00 0.00 H new ATOM 0 HG SER A 54 -4.440 3.360 18.997 1.00 0.00 H new ATOM 876 N ARG A 55 -0.138 4.871 16.002 1.00 0.00 N ATOM 877 CA ARG A 55 0.521 5.103 14.715 1.00 0.00 C ATOM 878 C ARG A 55 1.351 3.899 14.254 1.00 0.00 C ATOM 879 O ARG A 55 2.022 3.982 13.228 1.00 0.00 O ATOM 880 CB ARG A 55 1.455 6.312 14.816 1.00 0.00 C ATOM 881 CG ARG A 55 0.778 7.543 15.416 1.00 0.00 C ATOM 882 CD ARG A 55 1.788 8.688 15.521 1.00 0.00 C ATOM 883 NE ARG A 55 2.073 9.296 14.215 1.00 0.00 N ATOM 884 CZ ARG A 55 3.118 9.001 13.431 1.00 0.00 C ATOM 885 NH1 ARG A 55 3.998 8.065 13.769 1.00 0.00 N ATOM 886 NH2 ARG A 55 3.286 9.654 12.287 1.00 0.00 N ATOM 0 H ARG A 55 0.193 5.489 16.743 1.00 0.00 H new ATOM 0 HA ARG A 55 -0.271 5.277 13.987 1.00 0.00 H new ATOM 0 HB2 ARG A 55 2.319 6.046 15.425 1.00 0.00 H new ATOM 0 HB3 ARG A 55 1.829 6.559 13.822 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -0.065 7.845 14.795 1.00 0.00 H new ATOM 0 HG3 ARG A 55 0.379 7.306 16.402 1.00 0.00 H new ATOM 0 HD2 ARG A 55 1.402 9.450 16.198 1.00 0.00 H new ATOM 0 HD3 ARG A 55 2.715 8.314 15.956 1.00 0.00 H new ATOM 0 HE ARG A 55 1.420 10.003 13.876 1.00 0.00 H new ATOM 0 HH11 ARG A 55 3.886 7.552 14.643 1.00 0.00 H new ATOM 0 HH12 ARG A 55 4.785 7.859 13.154 1.00 0.00 H new ATOM 0 HH21 ARG A 55 2.621 10.376 12.009 1.00 0.00 H new ATOM 0 HH22 ARG A 55 4.080 9.434 11.686 1.00 0.00 H new ATOM 900 N GLY A 56 1.321 2.788 14.997 1.00 0.00 N ATOM 901 CA GLY A 56 2.087 1.585 14.697 1.00 0.00 C ATOM 902 C GLY A 56 1.729 0.959 13.351 1.00 0.00 C ATOM 903 O GLY A 56 2.401 0.028 12.906 1.00 0.00 O ATOM 0 H GLY A 56 0.751 2.703 15.839 1.00 0.00 H new ATOM 0 HA2 GLY A 56 3.150 1.828 14.705 1.00 0.00 H new ATOM 0 HA3 GLY A 56 1.922 0.851 15.486 1.00 0.00 H new ATOM 907 N PHE A 57 0.677 1.449 12.691 1.00 0.00 N ATOM 908 CA PHE A 57 0.259 0.929 11.404 1.00 0.00 C ATOM 909 C PHE A 57 -0.457 2.003 10.594 1.00 0.00 C ATOM 910 O PHE A 57 -0.652 3.122 11.062 1.00 0.00 O ATOM 911 CB PHE A 57 -0.657 -0.269 11.625 1.00 0.00 C ATOM 912 CG PHE A 57 -2.008 0.123 12.167 1.00 0.00 C ATOM 913 CD1 PHE A 57 -2.192 0.329 13.540 1.00 0.00 C ATOM 914 CD2 PHE A 57 -3.074 0.298 11.280 1.00 0.00 C ATOM 915 CE1 PHE A 57 -3.448 0.715 14.021 1.00 0.00 C ATOM 916 CE2 PHE A 57 -4.326 0.690 11.760 1.00 0.00 C ATOM 917 CZ PHE A 57 -4.520 0.896 13.134 1.00 0.00 C ATOM 0 H PHE A 57 0.099 2.214 13.039 1.00 0.00 H new ATOM 0 HA PHE A 57 1.138 0.617 10.841 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -0.789 -0.799 10.682 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -0.180 -0.963 12.317 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -1.368 0.191 14.224 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -2.930 0.130 10.223 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -3.593 0.874 15.079 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -5.146 0.835 11.072 1.00 0.00 H new ATOM 0 HZ PHE A 57 -5.489 1.192 13.507 1.00 0.00 H new ATOM 927 N ALA A 58 -0.849 1.642 9.370 1.00 0.00 N ATOM 928 CA ALA A 58 -1.516 2.547 8.449 1.00 0.00 C ATOM 929 C ALA A 58 -2.557 1.808 7.618 1.00 0.00 C ATOM 930 O ALA A 58 -2.800 0.616 7.811 1.00 0.00 O ATOM 931 CB ALA A 58 -0.467 3.188 7.538 1.00 0.00 C ATOM 0 H ALA A 58 -0.708 0.705 8.993 1.00 0.00 H new ATOM 0 HA ALA A 58 -2.033 3.320 9.018 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -0.957 3.869 6.842 1.00 0.00 H new ATOM 0 HB2 ALA A 58 0.251 3.741 8.143 1.00 0.00 H new ATOM 0 HB3 ALA A 58 0.053 2.410 6.979 1.00 0.00 H new ATOM 937 N PHE A 59 -3.170 2.540 6.690 1.00 0.00 N ATOM 938 CA PHE A 59 -4.172 2.033 5.771 1.00 0.00 C ATOM 939 C PHE A 59 -4.086 2.813 4.461 1.00 0.00 C ATOM 940 O PHE A 59 -5.049 3.456 4.046 1.00 0.00 O ATOM 941 CB PHE A 59 -5.543 2.161 6.432 1.00 0.00 C ATOM 942 CG PHE A 59 -6.637 1.306 5.829 1.00 0.00 C ATOM 943 CD1 PHE A 59 -6.570 0.844 4.505 1.00 0.00 C ATOM 944 CD2 PHE A 59 -7.738 0.972 6.626 1.00 0.00 C ATOM 945 CE1 PHE A 59 -7.600 0.049 3.988 1.00 0.00 C ATOM 946 CE2 PHE A 59 -8.763 0.175 6.112 1.00 0.00 C ATOM 947 CZ PHE A 59 -8.691 -0.292 4.796 1.00 0.00 C ATOM 0 H PHE A 59 -2.973 3.532 6.558 1.00 0.00 H new ATOM 0 HA PHE A 59 -4.004 0.981 5.539 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -5.444 1.904 7.487 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -5.854 3.205 6.386 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -5.724 1.102 3.885 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -7.795 1.332 7.643 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -7.553 -0.301 2.967 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -9.611 -0.081 6.730 1.00 0.00 H new ATOM 0 HZ PHE A 59 -9.479 -0.917 4.402 1.00 0.00 H new ATOM 957 N VAL A 60 -2.927 2.770 3.793 1.00 0.00 N ATOM 958 CA VAL A 60 -2.847 3.322 2.442 1.00 0.00 C ATOM 959 C VAL A 60 -3.658 2.379 1.558 1.00 0.00 C ATOM 960 O VAL A 60 -3.647 1.180 1.824 1.00 0.00 O ATOM 961 CB VAL A 60 -1.400 3.415 1.950 1.00 0.00 C ATOM 962 CG1 VAL A 60 -1.320 4.269 0.688 1.00 0.00 C ATOM 963 CG2 VAL A 60 -0.495 4.037 3.015 1.00 0.00 C ATOM 0 H VAL A 60 -2.060 2.372 4.153 1.00 0.00 H new ATOM 0 HA VAL A 60 -3.237 4.339 2.416 1.00 0.00 H new ATOM 0 HB VAL A 60 -1.063 2.401 1.737 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -0.285 4.325 0.352 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -1.932 3.820 -0.094 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -1.686 5.273 0.904 1.00 0.00 H new ATOM 0 HG21 VAL A 60 0.526 4.091 2.638 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -0.848 5.041 3.251 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -0.518 3.423 3.916 1.00 0.00 H new ATOM 973 N ARG A 61 -4.357 2.865 0.530 1.00 0.00 N ATOM 974 CA ARG A 61 -5.265 2.013 -0.234 1.00 0.00 C ATOM 975 C ARG A 61 -5.301 2.367 -1.710 1.00 0.00 C ATOM 976 O ARG A 61 -5.901 3.368 -2.095 1.00 0.00 O ATOM 977 CB ARG A 61 -6.661 2.103 0.373 1.00 0.00 C ATOM 978 CG ARG A 61 -7.672 1.312 -0.461 1.00 0.00 C ATOM 979 CD ARG A 61 -9.020 1.208 0.252 1.00 0.00 C ATOM 980 NE ARG A 61 -9.640 2.523 0.460 1.00 0.00 N ATOM 981 CZ ARG A 61 -9.479 3.274 1.551 1.00 0.00 C ATOM 982 NH1 ARG A 61 -8.653 2.900 2.521 1.00 0.00 N ATOM 983 NH2 ARG A 61 -10.145 4.417 1.684 1.00 0.00 N ATOM 0 H ARG A 61 -4.312 3.833 0.212 1.00 0.00 H new ATOM 0 HA ARG A 61 -4.894 0.990 -0.174 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -6.644 1.718 1.392 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -6.970 3.147 0.432 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -7.806 1.796 -1.428 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -7.283 0.313 -0.656 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -9.691 0.580 -0.334 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -8.883 0.716 1.215 1.00 0.00 H new ATOM 0 HE ARG A 61 -10.236 2.888 -0.283 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -8.131 2.028 2.438 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -8.541 3.485 3.349 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -10.783 4.724 0.950 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -10.018 4.987 2.520 1.00 0.00 H new ATOM 997 N PHE A 62 -4.658 1.537 -2.533 1.00 0.00 N ATOM 998 CA PHE A 62 -4.652 1.734 -3.976 1.00 0.00 C ATOM 999 C PHE A 62 -6.024 1.366 -4.541 1.00 0.00 C ATOM 1000 O PHE A 62 -6.787 0.672 -3.871 1.00 0.00 O ATOM 1001 CB PHE A 62 -3.576 0.865 -4.628 1.00 0.00 C ATOM 1002 CG PHE A 62 -2.152 1.252 -4.284 1.00 0.00 C ATOM 1003 CD1 PHE A 62 -1.608 0.914 -3.034 1.00 0.00 C ATOM 1004 CD2 PHE A 62 -1.364 1.941 -5.219 1.00 0.00 C ATOM 1005 CE1 PHE A 62 -0.286 1.258 -2.728 1.00 0.00 C ATOM 1006 CE2 PHE A 62 -0.040 2.280 -4.917 1.00 0.00 C ATOM 1007 CZ PHE A 62 0.500 1.933 -3.673 1.00 0.00 C ATOM 0 H PHE A 62 -4.134 0.720 -2.219 1.00 0.00 H new ATOM 0 HA PHE A 62 -4.433 2.780 -4.192 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -3.737 -0.172 -4.332 1.00 0.00 H new ATOM 0 HB3 PHE A 62 -3.699 0.910 -5.710 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -2.210 0.388 -2.308 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -1.782 2.211 -6.178 1.00 0.00 H new ATOM 0 HE1 PHE A 62 0.129 1.003 -1.764 1.00 0.00 H new ATOM 0 HE2 PHE A 62 0.563 2.808 -5.641 1.00 0.00 H new ATOM 0 HZ PHE A 62 1.524 2.186 -3.441 1.00 0.00 H new ATOM 1017 N HIS A 63 -6.322 1.827 -5.764 1.00 0.00 N ATOM 1018 CA HIS A 63 -7.609 1.592 -6.417 1.00 0.00 C ATOM 1019 C HIS A 63 -7.439 1.012 -7.819 1.00 0.00 C ATOM 1020 O HIS A 63 -8.424 0.873 -8.543 1.00 0.00 O ATOM 1021 CB HIS A 63 -8.407 2.893 -6.517 1.00 0.00 C ATOM 1022 CG HIS A 63 -8.641 3.595 -5.209 1.00 0.00 C ATOM 1023 ND1 HIS A 63 -9.325 3.077 -4.106 1.00 0.00 N ATOM 1024 CD2 HIS A 63 -8.216 4.859 -4.927 1.00 0.00 C ATOM 1025 CE1 HIS A 63 -9.293 4.053 -3.183 1.00 0.00 C ATOM 1026 NE2 HIS A 63 -8.641 5.132 -3.649 1.00 0.00 N ATOM 0 H HIS A 63 -5.672 2.375 -6.327 1.00 0.00 H new ATOM 0 HA HIS A 63 -8.146 0.870 -5.803 1.00 0.00 H new ATOM 0 HB2 HIS A 63 -7.883 3.573 -7.189 1.00 0.00 H new ATOM 0 HB3 HIS A 63 -9.373 2.676 -6.974 1.00 0.00 H new ATOM 0 HD1 HIS A 63 -9.756 2.156 -4.020 1.00 0.00 H new ATOM 0 HD2 HIS A 63 -7.657 5.515 -5.578 1.00 0.00 H new ATOM 0 HE1 HIS A 63 -9.732 3.980 -2.199 1.00 0.00 H new ATOM 1034 N ASP A 64 -6.206 0.675 -8.209 1.00 0.00 N ATOM 1035 CA ASP A 64 -5.928 0.116 -9.524 1.00 0.00 C ATOM 1036 C ASP A 64 -5.086 -1.139 -9.343 1.00 0.00 C ATOM 1037 O ASP A 64 -4.046 -1.112 -8.690 1.00 0.00 O ATOM 1038 CB ASP A 64 -5.214 1.166 -10.373 1.00 0.00 C ATOM 1039 CG ASP A 64 -5.056 0.759 -11.839 1.00 0.00 C ATOM 1040 OD1 ASP A 64 -5.086 -0.458 -12.125 1.00 0.00 O ATOM 1041 OD2 ASP A 64 -4.906 1.686 -12.664 1.00 0.00 O ATOM 0 H ASP A 64 -5.380 0.784 -7.621 1.00 0.00 H new ATOM 0 HA ASP A 64 -6.848 -0.158 -10.041 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -5.769 2.102 -10.322 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -4.228 1.356 -9.948 1.00 0.00 H new ATOM 1046 N LYS A 65 -5.549 -2.245 -9.928 1.00 0.00 N ATOM 1047 CA LYS A 65 -4.969 -3.556 -9.703 1.00 0.00 C ATOM 1048 C LYS A 65 -3.532 -3.653 -10.199 1.00 0.00 C ATOM 1049 O LYS A 65 -2.746 -4.410 -9.636 1.00 0.00 O ATOM 1050 CB LYS A 65 -5.849 -4.635 -10.344 1.00 0.00 C ATOM 1051 CG LYS A 65 -5.938 -4.464 -11.867 1.00 0.00 C ATOM 1052 CD LYS A 65 -6.855 -5.518 -12.491 1.00 0.00 C ATOM 1053 CE LYS A 65 -6.320 -6.929 -12.234 1.00 0.00 C ATOM 1054 NZ LYS A 65 -7.168 -7.948 -12.878 1.00 0.00 N ATOM 0 H LYS A 65 -6.340 -2.249 -10.572 1.00 0.00 H new ATOM 0 HA LYS A 65 -4.933 -3.719 -8.626 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -5.444 -5.620 -10.111 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -6.850 -4.592 -9.914 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -6.312 -3.468 -12.102 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -4.942 -4.541 -12.303 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -7.859 -5.424 -12.076 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -6.936 -5.346 -13.564 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -5.301 -7.009 -12.613 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -6.277 -7.114 -11.161 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -6.780 -8.894 -12.686 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -8.134 -7.886 -12.498 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -7.189 -7.784 -13.905 1.00 0.00 H new ATOM 1068 N ARG A 66 -3.169 -2.904 -11.246 1.00 0.00 N ATOM 1069 CA ARG A 66 -1.831 -3.035 -11.803 1.00 0.00 C ATOM 1070 C ARG A 66 -0.799 -2.452 -10.842 1.00 0.00 C ATOM 1071 O ARG A 66 0.254 -3.050 -10.615 1.00 0.00 O ATOM 1072 CB ARG A 66 -1.791 -2.374 -13.182 1.00 0.00 C ATOM 1073 CG ARG A 66 -1.836 -0.846 -13.107 1.00 0.00 C ATOM 1074 CD ARG A 66 -2.243 -0.247 -14.447 1.00 0.00 C ATOM 1075 NE ARG A 66 -3.677 -0.459 -14.683 1.00 0.00 N ATOM 1076 CZ ARG A 66 -4.242 -0.554 -15.888 1.00 0.00 C ATOM 1077 NH1 ARG A 66 -3.513 -0.459 -16.999 1.00 0.00 N ATOM 1078 NH2 ARG A 66 -5.553 -0.753 -15.989 1.00 0.00 N ATOM 0 H ARG A 66 -3.768 -2.221 -11.710 1.00 0.00 H new ATOM 0 HA ARG A 66 -1.578 -4.087 -11.932 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -0.883 -2.681 -13.701 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -2.634 -2.729 -13.775 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -2.542 -0.537 -12.336 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -0.858 -0.463 -12.815 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -2.019 0.820 -14.460 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -1.664 -0.704 -15.249 1.00 0.00 H new ATOM 0 HE ARG A 66 -4.284 -0.539 -13.867 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -2.506 -0.311 -16.937 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -3.962 -0.534 -17.912 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -6.123 -0.832 -15.147 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -5.988 -0.826 -16.909 1.00 0.00 H new ATOM 1092 N ASP A 67 -1.102 -1.282 -10.274 1.00 0.00 N ATOM 1093 CA ASP A 67 -0.205 -0.630 -9.337 1.00 0.00 C ATOM 1094 C ASP A 67 -0.268 -1.340 -7.989 1.00 0.00 C ATOM 1095 O ASP A 67 0.703 -1.323 -7.238 1.00 0.00 O ATOM 1096 CB ASP A 67 -0.618 0.833 -9.168 1.00 0.00 C ATOM 1097 CG ASP A 67 -0.587 1.601 -10.489 1.00 0.00 C ATOM 1098 OD1 ASP A 67 0.341 1.354 -11.290 1.00 0.00 O ATOM 1099 OD2 ASP A 67 -1.503 2.431 -10.682 1.00 0.00 O ATOM 0 H ASP A 67 -1.967 -0.771 -10.452 1.00 0.00 H new ATOM 0 HA ASP A 67 0.814 -0.676 -9.720 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -1.623 0.878 -8.748 1.00 0.00 H new ATOM 0 HB3 ASP A 67 0.049 1.316 -8.454 1.00 0.00 H new ATOM 1104 N ALA A 68 -1.409 -1.962 -7.686 1.00 0.00 N ATOM 1105 CA ALA A 68 -1.597 -2.661 -6.432 1.00 0.00 C ATOM 1106 C ALA A 68 -0.857 -3.999 -6.415 1.00 0.00 C ATOM 1107 O ALA A 68 -0.288 -4.371 -5.390 1.00 0.00 O ATOM 1108 CB ALA A 68 -3.089 -2.896 -6.217 1.00 0.00 C ATOM 0 H ALA A 68 -2.219 -1.990 -8.305 1.00 0.00 H new ATOM 0 HA ALA A 68 -1.188 -2.047 -5.630 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -3.242 -3.422 -5.275 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -3.608 -1.938 -6.186 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -3.485 -3.496 -7.036 1.00 0.00 H new ATOM 1114 N GLU A 69 -0.851 -4.734 -7.532 1.00 0.00 N ATOM 1115 CA GLU A 69 -0.151 -6.004 -7.568 1.00 0.00 C ATOM 1116 C GLU A 69 1.356 -5.784 -7.518 1.00 0.00 C ATOM 1117 O GLU A 69 2.074 -6.631 -6.983 1.00 0.00 O ATOM 1118 CB GLU A 69 -0.530 -6.798 -8.822 1.00 0.00 C ATOM 1119 CG GLU A 69 -1.957 -7.335 -8.715 1.00 0.00 C ATOM 1120 CD GLU A 69 -2.318 -8.165 -9.941 1.00 0.00 C ATOM 1121 OE1 GLU A 69 -1.873 -9.333 -10.000 1.00 0.00 O ATOM 1122 OE2 GLU A 69 -3.041 -7.635 -10.813 1.00 0.00 O ATOM 0 H GLU A 69 -1.315 -4.472 -8.402 1.00 0.00 H new ATOM 0 HA GLU A 69 -0.449 -6.581 -6.693 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -0.442 -6.161 -9.702 1.00 0.00 H new ATOM 0 HB3 GLU A 69 0.166 -7.626 -8.957 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -2.054 -7.944 -7.817 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -2.656 -6.505 -8.614 1.00 0.00 H new ATOM 1129 N ASP A 70 1.858 -4.671 -8.059 1.00 0.00 N ATOM 1130 CA ASP A 70 3.280 -4.371 -7.948 1.00 0.00 C ATOM 1131 C ASP A 70 3.629 -3.882 -6.544 1.00 0.00 C ATOM 1132 O ASP A 70 4.675 -4.243 -6.005 1.00 0.00 O ATOM 1133 CB ASP A 70 3.654 -3.283 -8.956 1.00 0.00 C ATOM 1134 CG ASP A 70 3.660 -3.788 -10.400 1.00 0.00 C ATOM 1135 OD1 ASP A 70 3.862 -5.008 -10.592 1.00 0.00 O ATOM 1136 OD2 ASP A 70 3.465 -2.946 -11.305 1.00 0.00 O ATOM 0 H ASP A 70 1.310 -3.977 -8.568 1.00 0.00 H new ATOM 0 HA ASP A 70 3.837 -5.286 -8.152 1.00 0.00 H new ATOM 0 HB2 ASP A 70 2.950 -2.456 -8.868 1.00 0.00 H new ATOM 0 HB3 ASP A 70 4.640 -2.890 -8.710 1.00 0.00 H new ATOM 1141 N ALA A 71 2.760 -3.060 -5.944 1.00 0.00 N ATOM 1142 CA ALA A 71 3.022 -2.489 -4.638 1.00 0.00 C ATOM 1143 C ALA A 71 3.213 -3.572 -3.584 1.00 0.00 C ATOM 1144 O ALA A 71 4.001 -3.382 -2.664 1.00 0.00 O ATOM 1145 CB ALA A 71 1.876 -1.559 -4.242 1.00 0.00 C ATOM 0 H ALA A 71 1.868 -2.781 -6.353 1.00 0.00 H new ATOM 0 HA ALA A 71 3.949 -1.918 -4.695 1.00 0.00 H new ATOM 0 HB1 ALA A 71 2.077 -1.132 -3.260 1.00 0.00 H new ATOM 0 HB2 ALA A 71 1.788 -0.757 -4.975 1.00 0.00 H new ATOM 0 HB3 ALA A 71 0.944 -2.124 -4.208 1.00 0.00 H new ATOM 1151 N MET A 72 2.515 -4.709 -3.689 1.00 0.00 N ATOM 1152 CA MET A 72 2.684 -5.767 -2.701 1.00 0.00 C ATOM 1153 C MET A 72 3.812 -6.716 -3.107 1.00 0.00 C ATOM 1154 O MET A 72 4.437 -7.334 -2.249 1.00 0.00 O ATOM 1155 CB MET A 72 1.371 -6.528 -2.501 1.00 0.00 C ATOM 1156 CG MET A 72 1.121 -7.430 -3.701 1.00 0.00 C ATOM 1157 SD MET A 72 -0.554 -8.106 -3.824 1.00 0.00 S ATOM 1158 CE MET A 72 -0.331 -9.090 -5.331 1.00 0.00 C ATOM 0 H MET A 72 1.845 -4.913 -4.431 1.00 0.00 H new ATOM 0 HA MET A 72 2.960 -5.309 -1.751 1.00 0.00 H new ATOM 0 HB2 MET A 72 1.418 -7.123 -1.589 1.00 0.00 H new ATOM 0 HB3 MET A 72 0.546 -5.826 -2.382 1.00 0.00 H new ATOM 0 HG2 MET A 72 1.335 -6.867 -4.609 1.00 0.00 H new ATOM 0 HG3 MET A 72 1.828 -8.259 -3.665 1.00 0.00 H new ATOM 0 HE1 MET A 72 -1.276 -9.149 -5.870 1.00 0.00 H new ATOM 0 HE2 MET A 72 0.420 -8.619 -5.965 1.00 0.00 H new ATOM 0 HE3 MET A 72 -0.002 -10.095 -5.064 1.00 0.00 H new ATOM 1168 N ASP A 73 4.078 -6.833 -4.410 1.00 0.00 N ATOM 1169 CA ASP A 73 5.159 -7.673 -4.908 1.00 0.00 C ATOM 1170 C ASP A 73 6.517 -7.030 -4.635 1.00 0.00 C ATOM 1171 O ASP A 73 7.554 -7.649 -4.875 1.00 0.00 O ATOM 1172 CB ASP A 73 4.952 -7.906 -6.406 1.00 0.00 C ATOM 1173 CG ASP A 73 5.980 -8.882 -6.979 1.00 0.00 C ATOM 1174 OD1 ASP A 73 6.002 -10.036 -6.500 1.00 0.00 O ATOM 1175 OD2 ASP A 73 6.730 -8.464 -7.888 1.00 0.00 O ATOM 0 H ASP A 73 3.553 -6.351 -5.140 1.00 0.00 H new ATOM 0 HA ASP A 73 5.146 -8.631 -4.388 1.00 0.00 H new ATOM 0 HB2 ASP A 73 3.948 -8.294 -6.578 1.00 0.00 H new ATOM 0 HB3 ASP A 73 5.021 -6.955 -6.934 1.00 0.00 H new ATOM 1180 N ALA A 74 6.528 -5.790 -4.135 1.00 0.00 N ATOM 1181 CA ALA A 74 7.761 -5.065 -3.870 1.00 0.00 C ATOM 1182 C ALA A 74 7.788 -4.388 -2.496 1.00 0.00 C ATOM 1183 O ALA A 74 8.822 -3.844 -2.117 1.00 0.00 O ATOM 1184 CB ALA A 74 7.918 -4.028 -4.974 1.00 0.00 C ATOM 0 H ALA A 74 5.682 -5.268 -3.906 1.00 0.00 H new ATOM 0 HA ALA A 74 8.588 -5.775 -3.858 1.00 0.00 H new ATOM 0 HB1 ALA A 74 8.834 -3.460 -4.812 1.00 0.00 H new ATOM 0 HB2 ALA A 74 7.968 -4.530 -5.940 1.00 0.00 H new ATOM 0 HB3 ALA A 74 7.064 -3.351 -4.961 1.00 0.00 H new ATOM 1190 N MET A 75 6.680 -4.415 -1.746 1.00 0.00 N ATOM 1191 CA MET A 75 6.666 -3.894 -0.379 1.00 0.00 C ATOM 1192 C MET A 75 6.218 -4.914 0.667 1.00 0.00 C ATOM 1193 O MET A 75 6.431 -4.663 1.851 1.00 0.00 O ATOM 1194 CB MET A 75 5.744 -2.684 -0.255 1.00 0.00 C ATOM 1195 CG MET A 75 6.158 -1.491 -1.110 1.00 0.00 C ATOM 1196 SD MET A 75 7.614 -0.611 -0.501 1.00 0.00 S ATOM 1197 CE MET A 75 6.996 1.079 -0.711 1.00 0.00 C ATOM 0 H MET A 75 5.786 -4.791 -2.063 1.00 0.00 H new ATOM 0 HA MET A 75 7.704 -3.624 -0.182 1.00 0.00 H new ATOM 0 HB2 MET A 75 4.733 -2.982 -0.533 1.00 0.00 H new ATOM 0 HB3 MET A 75 5.709 -2.373 0.789 1.00 0.00 H new ATOM 0 HG2 MET A 75 6.355 -1.837 -2.125 1.00 0.00 H new ATOM 0 HG3 MET A 75 5.323 -0.793 -1.167 1.00 0.00 H new ATOM 0 HE1 MET A 75 7.751 1.682 -1.216 1.00 0.00 H new ATOM 0 HE2 MET A 75 6.085 1.062 -1.310 1.00 0.00 H new ATOM 0 HE3 MET A 75 6.780 1.511 0.266 1.00 0.00 H new ATOM 1207 N ASP A 76 5.607 -6.044 0.291 1.00 0.00 N ATOM 1208 CA ASP A 76 5.214 -7.044 1.280 1.00 0.00 C ATOM 1209 C ASP A 76 6.420 -7.812 1.840 1.00 0.00 C ATOM 1210 O ASP A 76 6.523 -9.027 1.678 1.00 0.00 O ATOM 1211 CB ASP A 76 4.163 -7.991 0.704 1.00 0.00 C ATOM 1212 CG ASP A 76 3.588 -8.912 1.782 1.00 0.00 C ATOM 1213 OD1 ASP A 76 3.520 -8.474 2.950 1.00 0.00 O ATOM 1214 OD2 ASP A 76 3.220 -10.054 1.425 1.00 0.00 O ATOM 0 H ASP A 76 5.379 -6.283 -0.674 1.00 0.00 H new ATOM 0 HA ASP A 76 4.767 -6.513 2.121 1.00 0.00 H new ATOM 0 HB2 ASP A 76 3.358 -7.411 0.252 1.00 0.00 H new ATOM 0 HB3 ASP A 76 4.608 -8.591 -0.089 1.00 0.00 H new ATOM 1219 N GLY A 77 7.337 -7.100 2.494 1.00 0.00 N ATOM 1220 CA GLY A 77 8.563 -7.659 3.042 1.00 0.00 C ATOM 1221 C GLY A 77 9.723 -6.662 2.982 1.00 0.00 C ATOM 1222 O GLY A 77 10.819 -6.971 3.441 1.00 0.00 O ATOM 0 H GLY A 77 7.242 -6.098 2.659 1.00 0.00 H new ATOM 0 HA2 GLY A 77 8.395 -7.958 4.077 1.00 0.00 H new ATOM 0 HA3 GLY A 77 8.830 -8.560 2.489 1.00 0.00 H new ATOM 1226 N ALA A 78 9.483 -5.474 2.419 1.00 0.00 N ATOM 1227 CA ALA A 78 10.503 -4.450 2.256 1.00 0.00 C ATOM 1228 C ALA A 78 10.824 -3.753 3.588 1.00 0.00 C ATOM 1229 O ALA A 78 10.314 -4.142 4.640 1.00 0.00 O ATOM 1230 CB ALA A 78 10.025 -3.448 1.207 1.00 0.00 C ATOM 0 H ALA A 78 8.567 -5.200 2.063 1.00 0.00 H new ATOM 0 HA ALA A 78 11.429 -4.916 1.920 1.00 0.00 H new ATOM 0 HB1 ALA A 78 10.780 -2.673 1.073 1.00 0.00 H new ATOM 0 HB2 ALA A 78 9.862 -3.963 0.260 1.00 0.00 H new ATOM 0 HB3 ALA A 78 9.092 -2.992 1.538 1.00 0.00 H new ATOM 1236 N VAL A 79 11.670 -2.720 3.531 1.00 0.00 N ATOM 1237 CA VAL A 79 12.148 -1.997 4.704 1.00 0.00 C ATOM 1238 C VAL A 79 12.027 -0.495 4.493 1.00 0.00 C ATOM 1239 O VAL A 79 12.243 0.023 3.397 1.00 0.00 O ATOM 1240 CB VAL A 79 13.608 -2.385 4.972 1.00 0.00 C ATOM 1241 CG1 VAL A 79 14.237 -1.535 6.078 1.00 0.00 C ATOM 1242 CG2 VAL A 79 13.687 -3.860 5.375 1.00 0.00 C ATOM 0 H VAL A 79 12.045 -2.360 2.653 1.00 0.00 H new ATOM 0 HA VAL A 79 11.537 -2.265 5.566 1.00 0.00 H new ATOM 0 HB VAL A 79 14.163 -2.209 4.051 1.00 0.00 H new ATOM 0 HG11 VAL A 79 15.270 -1.846 6.233 1.00 0.00 H new ATOM 0 HG12 VAL A 79 14.213 -0.485 5.788 1.00 0.00 H new ATOM 0 HG13 VAL A 79 13.676 -1.668 7.003 1.00 0.00 H new ATOM 0 HG21 VAL A 79 14.726 -4.130 5.564 1.00 0.00 H new ATOM 0 HG22 VAL A 79 13.100 -4.022 6.279 1.00 0.00 H new ATOM 0 HG23 VAL A 79 13.292 -4.479 4.569 1.00 0.00 H new ATOM 1252 N LEU A 80 11.674 0.195 5.579 1.00 0.00 N ATOM 1253 CA LEU A 80 11.633 1.638 5.677 1.00 0.00 C ATOM 1254 C LEU A 80 11.967 1.981 7.121 1.00 0.00 C ATOM 1255 O LEU A 80 11.489 1.310 8.031 1.00 0.00 O ATOM 1256 CB LEU A 80 10.232 2.128 5.291 1.00 0.00 C ATOM 1257 CG LEU A 80 10.007 3.624 5.543 1.00 0.00 C ATOM 1258 CD1 LEU A 80 11.035 4.482 4.808 1.00 0.00 C ATOM 1259 CD2 LEU A 80 8.625 4.012 5.023 1.00 0.00 C ATOM 0 H LEU A 80 11.399 -0.265 6.447 1.00 0.00 H new ATOM 0 HA LEU A 80 12.343 2.120 5.005 1.00 0.00 H new ATOM 0 HB2 LEU A 80 10.062 1.918 4.235 1.00 0.00 H new ATOM 0 HB3 LEU A 80 9.491 1.559 5.853 1.00 0.00 H new ATOM 0 HG LEU A 80 10.100 3.798 6.615 1.00 0.00 H new ATOM 0 HD11 LEU A 80 10.842 5.535 5.012 1.00 0.00 H new ATOM 0 HD12 LEU A 80 12.037 4.224 5.151 1.00 0.00 H new ATOM 0 HD13 LEU A 80 10.961 4.300 3.736 1.00 0.00 H new ATOM 0 HD21 LEU A 80 8.456 5.074 5.198 1.00 0.00 H new ATOM 0 HD22 LEU A 80 8.568 3.806 3.954 1.00 0.00 H new ATOM 0 HD23 LEU A 80 7.864 3.433 5.545 1.00 0.00 H new ATOM 1271 N ASP A 81 12.782 3.012 7.335 1.00 0.00 N ATOM 1272 CA ASP A 81 13.236 3.456 8.650 1.00 0.00 C ATOM 1273 C ASP A 81 13.931 2.348 9.455 1.00 0.00 C ATOM 1274 O ASP A 81 14.300 2.574 10.609 1.00 0.00 O ATOM 1275 CB ASP A 81 12.055 4.082 9.400 1.00 0.00 C ATOM 1276 CG ASP A 81 12.504 4.829 10.656 1.00 0.00 C ATOM 1277 OD1 ASP A 81 13.391 5.705 10.525 1.00 0.00 O ATOM 1278 OD2 ASP A 81 11.953 4.518 11.736 1.00 0.00 O ATOM 0 H ASP A 81 13.156 3.579 6.574 1.00 0.00 H new ATOM 0 HA ASP A 81 14.008 4.213 8.511 1.00 0.00 H new ATOM 0 HB2 ASP A 81 11.529 4.770 8.738 1.00 0.00 H new ATOM 0 HB3 ASP A 81 11.347 3.301 9.677 1.00 0.00 H new ATOM 1283 N GLY A 82 14.115 1.156 8.872 1.00 0.00 N ATOM 1284 CA GLY A 82 14.828 0.069 9.528 1.00 0.00 C ATOM 1285 C GLY A 82 13.869 -0.987 10.074 1.00 0.00 C ATOM 1286 O GLY A 82 14.297 -1.902 10.777 1.00 0.00 O ATOM 0 H GLY A 82 13.774 0.926 7.939 1.00 0.00 H new ATOM 0 HA2 GLY A 82 15.515 -0.395 8.820 1.00 0.00 H new ATOM 0 HA3 GLY A 82 15.431 0.469 10.343 1.00 0.00 H new ATOM 1290 N ARG A 83 12.578 -0.853 9.750 1.00 0.00 N ATOM 1291 CA ARG A 83 11.534 -1.786 10.150 1.00 0.00 C ATOM 1292 C ARG A 83 11.087 -2.592 8.941 1.00 0.00 C ATOM 1293 O ARG A 83 11.818 -2.714 7.963 1.00 0.00 O ATOM 1294 CB ARG A 83 10.389 -1.037 10.822 1.00 0.00 C ATOM 1295 CG ARG A 83 9.736 -0.091 9.823 1.00 0.00 C ATOM 1296 CD ARG A 83 8.255 0.034 10.131 1.00 0.00 C ATOM 1297 NE ARG A 83 7.556 0.452 8.928 1.00 0.00 N ATOM 1298 CZ ARG A 83 7.522 1.698 8.444 1.00 0.00 C ATOM 1299 NH1 ARG A 83 8.299 2.648 8.958 1.00 0.00 N ATOM 1300 NH2 ARG A 83 6.705 2.000 7.442 1.00 0.00 N ATOM 0 H ARG A 83 12.229 -0.075 9.191 1.00 0.00 H new ATOM 0 HA ARG A 83 11.918 -2.491 10.887 1.00 0.00 H new ATOM 0 HB2 ARG A 83 9.652 -1.745 11.202 1.00 0.00 H new ATOM 0 HB3 ARG A 83 10.762 -0.475 11.678 1.00 0.00 H new ATOM 0 HG2 ARG A 83 10.211 0.889 9.871 1.00 0.00 H new ATOM 0 HG3 ARG A 83 9.876 -0.464 8.809 1.00 0.00 H new ATOM 0 HD2 ARG A 83 7.862 -0.920 10.483 1.00 0.00 H new ATOM 0 HD3 ARG A 83 8.096 0.758 10.930 1.00 0.00 H new ATOM 0 HE ARG A 83 7.049 -0.265 8.409 1.00 0.00 H new ATOM 0 HH11 ARG A 83 8.929 2.429 9.730 1.00 0.00 H new ATOM 0 HH12 ARG A 83 8.264 3.595 8.580 1.00 0.00 H new ATOM 0 HH21 ARG A 83 6.103 1.281 7.041 1.00 0.00 H new ATOM 0 HH22 ARG A 83 6.680 2.951 7.073 1.00 0.00 H new ATOM 1314 N GLU A 84 9.880 -3.139 9.011 1.00 0.00 N ATOM 1315 CA GLU A 84 9.341 -3.979 7.957 1.00 0.00 C ATOM 1316 C GLU A 84 8.150 -3.269 7.326 1.00 0.00 C ATOM 1317 O GLU A 84 7.687 -2.252 7.843 1.00 0.00 O ATOM 1318 CB GLU A 84 8.896 -5.320 8.549 1.00 0.00 C ATOM 1319 CG GLU A 84 10.104 -6.134 9.006 1.00 0.00 C ATOM 1320 CD GLU A 84 9.679 -7.494 9.551 1.00 0.00 C ATOM 1321 OE1 GLU A 84 9.408 -7.573 10.772 1.00 0.00 O ATOM 1322 OE2 GLU A 84 9.629 -8.448 8.742 1.00 0.00 O ATOM 0 H GLU A 84 9.249 -3.011 9.802 1.00 0.00 H new ATOM 0 HA GLU A 84 10.102 -4.163 7.199 1.00 0.00 H new ATOM 0 HB2 GLU A 84 8.227 -5.147 9.392 1.00 0.00 H new ATOM 0 HB3 GLU A 84 8.332 -5.883 7.805 1.00 0.00 H new ATOM 0 HG2 GLU A 84 10.790 -6.272 8.170 1.00 0.00 H new ATOM 0 HG3 GLU A 84 10.646 -5.584 9.775 1.00 0.00 H new ATOM 1329 N LEU A 85 7.649 -3.800 6.210 1.00 0.00 N ATOM 1330 CA LEU A 85 6.493 -3.241 5.537 1.00 0.00 C ATOM 1331 C LEU A 85 5.517 -4.360 5.206 1.00 0.00 C ATOM 1332 O LEU A 85 5.923 -5.505 4.993 1.00 0.00 O ATOM 1333 CB LEU A 85 6.950 -2.509 4.274 1.00 0.00 C ATOM 1334 CG LEU A 85 7.795 -1.271 4.587 1.00 0.00 C ATOM 1335 CD1 LEU A 85 8.228 -0.605 3.287 1.00 0.00 C ATOM 1336 CD2 LEU A 85 6.995 -0.252 5.388 1.00 0.00 C ATOM 0 H LEU A 85 8.037 -4.626 5.755 1.00 0.00 H new ATOM 0 HA LEU A 85 5.986 -2.524 6.183 1.00 0.00 H new ATOM 0 HB2 LEU A 85 7.528 -3.192 3.651 1.00 0.00 H new ATOM 0 HB3 LEU A 85 6.076 -2.211 3.694 1.00 0.00 H new ATOM 0 HG LEU A 85 8.659 -1.595 5.167 1.00 0.00 H new ATOM 0 HD11 LEU A 85 8.829 0.276 3.512 1.00 0.00 H new ATOM 0 HD12 LEU A 85 8.819 -1.307 2.698 1.00 0.00 H new ATOM 0 HD13 LEU A 85 7.346 -0.307 2.720 1.00 0.00 H new ATOM 0 HD21 LEU A 85 7.619 0.617 5.597 1.00 0.00 H new ATOM 0 HD22 LEU A 85 6.122 0.057 4.814 1.00 0.00 H new ATOM 0 HD23 LEU A 85 6.671 -0.700 6.327 1.00 0.00 H new ATOM 1348 N ARG A 86 4.229 -4.016 5.164 1.00 0.00 N ATOM 1349 CA ARG A 86 3.165 -4.961 4.883 1.00 0.00 C ATOM 1350 C ARG A 86 2.133 -4.297 3.995 1.00 0.00 C ATOM 1351 O ARG A 86 1.860 -3.104 4.128 1.00 0.00 O ATOM 1352 CB ARG A 86 2.517 -5.418 6.194 1.00 0.00 C ATOM 1353 CG ARG A 86 3.366 -6.448 6.943 1.00 0.00 C ATOM 1354 CD ARG A 86 3.566 -7.706 6.098 1.00 0.00 C ATOM 1355 NE ARG A 86 4.325 -8.725 6.831 1.00 0.00 N ATOM 1356 CZ ARG A 86 4.856 -9.811 6.264 1.00 0.00 C ATOM 1357 NH1 ARG A 86 4.719 -10.030 4.957 1.00 0.00 N ATOM 1358 NH2 ARG A 86 5.531 -10.684 7.005 1.00 0.00 N ATOM 0 H ARG A 86 3.900 -3.064 5.326 1.00 0.00 H new ATOM 0 HA ARG A 86 3.573 -5.833 4.373 1.00 0.00 H new ATOM 0 HB2 ARG A 86 2.354 -4.552 6.835 1.00 0.00 H new ATOM 0 HB3 ARG A 86 1.537 -5.846 5.981 1.00 0.00 H new ATOM 0 HG2 ARG A 86 4.335 -6.015 7.193 1.00 0.00 H new ATOM 0 HG3 ARG A 86 2.882 -6.710 7.884 1.00 0.00 H new ATOM 0 HD2 ARG A 86 2.596 -8.110 5.808 1.00 0.00 H new ATOM 0 HD3 ARG A 86 4.092 -7.449 5.178 1.00 0.00 H new ATOM 0 HE ARG A 86 4.455 -8.596 7.834 1.00 0.00 H new ATOM 0 HH11 ARG A 86 4.205 -9.365 4.380 1.00 0.00 H new ATOM 0 HH12 ARG A 86 5.129 -10.863 4.534 1.00 0.00 H new ATOM 0 HH21 ARG A 86 5.643 -10.524 8.006 1.00 0.00 H new ATOM 0 HH22 ARG A 86 5.937 -11.514 6.572 1.00 0.00 H new ATOM 1372 N VAL A 87 1.563 -5.082 3.085 1.00 0.00 N ATOM 1373 CA VAL A 87 0.586 -4.596 2.130 1.00 0.00 C ATOM 1374 C VAL A 87 -0.147 -5.786 1.520 1.00 0.00 C ATOM 1375 O VAL A 87 0.474 -6.773 1.129 1.00 0.00 O ATOM 1376 CB VAL A 87 1.304 -3.766 1.058 1.00 0.00 C ATOM 1377 CG1 VAL A 87 2.540 -4.478 0.527 1.00 0.00 C ATOM 1378 CG2 VAL A 87 0.375 -3.472 -0.113 1.00 0.00 C ATOM 0 H VAL A 87 1.770 -6.076 2.993 1.00 0.00 H new ATOM 0 HA VAL A 87 -0.149 -3.957 2.619 1.00 0.00 H new ATOM 0 HB VAL A 87 1.607 -2.835 1.536 1.00 0.00 H new ATOM 0 HG11 VAL A 87 3.020 -3.858 -0.230 1.00 0.00 H new ATOM 0 HG12 VAL A 87 3.237 -4.656 1.346 1.00 0.00 H new ATOM 0 HG13 VAL A 87 2.249 -5.431 0.084 1.00 0.00 H new ATOM 0 HG21 VAL A 87 0.907 -2.882 -0.860 1.00 0.00 H new ATOM 0 HG22 VAL A 87 0.044 -4.410 -0.559 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -0.491 -2.913 0.241 1.00 0.00 H new ATOM 1388 N GLN A 88 -1.473 -5.682 1.442 1.00 0.00 N ATOM 1389 CA GLN A 88 -2.326 -6.723 0.891 1.00 0.00 C ATOM 1390 C GLN A 88 -3.700 -6.133 0.579 1.00 0.00 C ATOM 1391 O GLN A 88 -3.983 -4.993 0.943 1.00 0.00 O ATOM 1392 CB GLN A 88 -2.457 -7.881 1.889 1.00 0.00 C ATOM 1393 CG GLN A 88 -2.947 -7.430 3.270 1.00 0.00 C ATOM 1394 CD GLN A 88 -1.844 -6.777 4.105 1.00 0.00 C ATOM 1395 OE1 GLN A 88 -0.750 -7.318 4.238 1.00 0.00 O ATOM 1396 NE2 GLN A 88 -2.125 -5.608 4.672 1.00 0.00 N ATOM 0 H GLN A 88 -1.987 -4.862 1.764 1.00 0.00 H new ATOM 0 HA GLN A 88 -1.883 -7.109 -0.027 1.00 0.00 H new ATOM 0 HB2 GLN A 88 -3.149 -8.622 1.488 1.00 0.00 H new ATOM 0 HB3 GLN A 88 -1.490 -8.373 1.996 1.00 0.00 H new ATOM 0 HG2 GLN A 88 -3.769 -6.725 3.147 1.00 0.00 H new ATOM 0 HG3 GLN A 88 -3.343 -8.291 3.809 1.00 0.00 H new ATOM 0 HE21 GLN A 88 -3.044 -5.186 4.541 1.00 0.00 H new ATOM 0 HE22 GLN A 88 -1.421 -5.133 5.238 1.00 0.00 H new ATOM 1405 N MET A 89 -4.558 -6.902 -0.094 1.00 0.00 N ATOM 1406 CA MET A 89 -5.891 -6.430 -0.456 1.00 0.00 C ATOM 1407 C MET A 89 -6.722 -6.152 0.796 1.00 0.00 C ATOM 1408 O MET A 89 -6.385 -6.615 1.886 1.00 0.00 O ATOM 1409 CB MET A 89 -6.557 -7.462 -1.370 1.00 0.00 C ATOM 1410 CG MET A 89 -5.708 -7.680 -2.627 1.00 0.00 C ATOM 1411 SD MET A 89 -5.460 -6.192 -3.633 1.00 0.00 S ATOM 1412 CE MET A 89 -4.111 -6.765 -4.699 1.00 0.00 C ATOM 0 H MET A 89 -4.351 -7.853 -0.398 1.00 0.00 H new ATOM 0 HA MET A 89 -5.815 -5.488 -0.999 1.00 0.00 H new ATOM 0 HB2 MET A 89 -6.680 -8.405 -0.837 1.00 0.00 H new ATOM 0 HB3 MET A 89 -7.554 -7.121 -1.650 1.00 0.00 H new ATOM 0 HG2 MET A 89 -4.734 -8.069 -2.330 1.00 0.00 H new ATOM 0 HG3 MET A 89 -6.182 -8.445 -3.242 1.00 0.00 H new ATOM 0 HE1 MET A 89 -3.651 -5.910 -5.195 1.00 0.00 H new ATOM 0 HE2 MET A 89 -3.363 -7.279 -4.095 1.00 0.00 H new ATOM 0 HE3 MET A 89 -4.506 -7.451 -5.449 1.00 0.00 H new ATOM 1422 N ALA A 90 -7.813 -5.396 0.643 1.00 0.00 N ATOM 1423 CA ALA A 90 -8.646 -4.999 1.769 1.00 0.00 C ATOM 1424 C ALA A 90 -10.042 -5.606 1.676 1.00 0.00 C ATOM 1425 O ALA A 90 -10.357 -6.330 0.731 1.00 0.00 O ATOM 1426 CB ALA A 90 -8.721 -3.469 1.847 1.00 0.00 C ATOM 0 H ALA A 90 -8.137 -5.047 -0.259 1.00 0.00 H new ATOM 0 HA ALA A 90 -8.189 -5.380 2.682 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -9.346 -3.178 2.691 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -7.719 -3.062 1.980 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -9.152 -3.078 0.925 1.00 0.00 H new ATOM 1432 N ARG A 91 -10.874 -5.300 2.673 1.00 0.00 N ATOM 1433 CA ARG A 91 -12.232 -5.818 2.794 1.00 0.00 C ATOM 1434 C ARG A 91 -13.172 -4.706 3.249 1.00 0.00 C ATOM 1435 O ARG A 91 -12.736 -3.578 3.473 1.00 0.00 O ATOM 1436 CB ARG A 91 -12.232 -6.991 3.784 1.00 0.00 C ATOM 1437 CG ARG A 91 -11.546 -6.604 5.099 1.00 0.00 C ATOM 1438 CD ARG A 91 -11.698 -7.690 6.159 1.00 0.00 C ATOM 1439 NE ARG A 91 -11.091 -8.952 5.727 1.00 0.00 N ATOM 1440 CZ ARG A 91 -11.284 -10.117 6.348 1.00 0.00 C ATOM 1441 NH1 ARG A 91 -12.056 -10.193 7.428 1.00 0.00 N ATOM 1442 NH2 ARG A 91 -10.700 -11.220 5.889 1.00 0.00 N ATOM 0 H ARG A 91 -10.614 -4.672 3.433 1.00 0.00 H new ATOM 0 HA ARG A 91 -12.586 -6.177 1.828 1.00 0.00 H new ATOM 0 HB2 ARG A 91 -13.257 -7.303 3.983 1.00 0.00 H new ATOM 0 HB3 ARG A 91 -11.720 -7.845 3.341 1.00 0.00 H new ATOM 0 HG2 ARG A 91 -10.487 -6.420 4.916 1.00 0.00 H new ATOM 0 HG3 ARG A 91 -11.972 -5.672 5.470 1.00 0.00 H new ATOM 0 HD2 ARG A 91 -11.233 -7.361 7.088 1.00 0.00 H new ATOM 0 HD3 ARG A 91 -12.756 -7.848 6.371 1.00 0.00 H new ATOM 0 HE ARG A 91 -10.487 -8.939 4.905 1.00 0.00 H new ATOM 0 HH11 ARG A 91 -12.509 -9.354 7.791 1.00 0.00 H new ATOM 0 HH12 ARG A 91 -12.195 -11.090 7.893 1.00 0.00 H new ATOM 0 HH21 ARG A 91 -10.104 -11.175 5.062 1.00 0.00 H new ATOM 0 HH22 ARG A 91 -10.848 -12.111 6.364 1.00 0.00 H new ATOM 1456 N TYR A 92 -14.466 -5.024 3.387 1.00 0.00 N ATOM 1457 CA TYR A 92 -15.489 -4.045 3.725 1.00 0.00 C ATOM 1458 C TYR A 92 -15.393 -2.824 2.808 1.00 0.00 C ATOM 1459 O TYR A 92 -14.916 -2.926 1.676 1.00 0.00 O ATOM 1460 CB TYR A 92 -15.366 -3.648 5.201 1.00 0.00 C ATOM 1461 CG TYR A 92 -15.133 -4.798 6.159 1.00 0.00 C ATOM 1462 CD1 TYR A 92 -16.031 -5.877 6.205 1.00 0.00 C ATOM 1463 CD2 TYR A 92 -14.015 -4.776 7.001 1.00 0.00 C ATOM 1464 CE1 TYR A 92 -15.799 -6.941 7.087 1.00 0.00 C ATOM 1465 CE2 TYR A 92 -13.779 -5.832 7.886 1.00 0.00 C ATOM 1466 CZ TYR A 92 -14.669 -6.924 7.933 1.00 0.00 C ATOM 1467 OH TYR A 92 -14.434 -7.957 8.788 1.00 0.00 O ATOM 0 H TYR A 92 -14.826 -5.971 3.266 1.00 0.00 H new ATOM 0 HA TYR A 92 -16.472 -4.492 3.573 1.00 0.00 H new ATOM 0 HB2 TYR A 92 -14.545 -2.939 5.303 1.00 0.00 H new ATOM 0 HB3 TYR A 92 -16.276 -3.127 5.498 1.00 0.00 H new ATOM 0 HD1 TYR A 92 -16.899 -5.887 5.562 1.00 0.00 H new ATOM 0 HD2 TYR A 92 -13.332 -3.940 6.967 1.00 0.00 H new ATOM 0 HE1 TYR A 92 -16.485 -7.774 7.120 1.00 0.00 H new ATOM 0 HE2 TYR A 92 -12.915 -5.811 8.534 1.00 0.00 H new ATOM 0 HH TYR A 92 -13.613 -7.782 9.294 1.00 0.00 H new ATOM 1477 N GLY A 93 -15.840 -1.665 3.295 1.00 0.00 N ATOM 1478 CA GLY A 93 -15.670 -0.401 2.599 1.00 0.00 C ATOM 1479 C GLY A 93 -15.355 0.698 3.607 1.00 0.00 C ATOM 1480 O GLY A 93 -14.432 1.476 3.391 1.00 0.00 O ATOM 0 H GLY A 93 -16.330 -1.583 4.186 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -14.864 -0.481 1.869 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -16.577 -0.153 2.047 1.00 0.00 H new ATOM 1484 N ARG A 94 -16.119 0.748 4.703 1.00 0.00 N ATOM 1485 CA ARG A 94 -15.922 1.642 5.829 1.00 0.00 C ATOM 1486 C ARG A 94 -16.627 1.025 7.035 1.00 0.00 C ATOM 1487 O ARG A 94 -17.619 0.315 6.870 1.00 0.00 O ATOM 1488 CB ARG A 94 -16.526 3.028 5.558 1.00 0.00 C ATOM 1489 CG ARG A 94 -15.764 3.758 4.451 1.00 0.00 C ATOM 1490 CD ARG A 94 -16.238 5.199 4.282 1.00 0.00 C ATOM 1491 NE ARG A 94 -15.875 6.047 5.413 1.00 0.00 N ATOM 1492 CZ ARG A 94 -16.220 7.334 5.530 1.00 0.00 C ATOM 1493 NH1 ARG A 94 -16.955 7.932 4.598 1.00 0.00 N ATOM 1494 NH2 ARG A 94 -15.830 8.031 6.593 1.00 0.00 N ATOM 0 H ARG A 94 -16.925 0.136 4.827 1.00 0.00 H new ATOM 0 HA ARG A 94 -14.854 1.769 6.004 1.00 0.00 H new ATOM 0 HB2 ARG A 94 -17.573 2.922 5.273 1.00 0.00 H new ATOM 0 HB3 ARG A 94 -16.503 3.622 6.471 1.00 0.00 H new ATOM 0 HG2 ARG A 94 -14.698 3.752 4.680 1.00 0.00 H new ATOM 0 HG3 ARG A 94 -15.891 3.222 3.510 1.00 0.00 H new ATOM 0 HD2 ARG A 94 -15.809 5.614 3.370 1.00 0.00 H new ATOM 0 HD3 ARG A 94 -17.321 5.209 4.158 1.00 0.00 H new ATOM 0 HE ARG A 94 -15.322 5.631 6.163 1.00 0.00 H new ATOM 0 HH11 ARG A 94 -17.264 7.409 3.779 1.00 0.00 H new ATOM 0 HH12 ARG A 94 -17.210 8.914 4.702 1.00 0.00 H new ATOM 0 HH21 ARG A 94 -15.268 7.584 7.318 1.00 0.00 H new ATOM 0 HH22 ARG A 94 -16.092 9.013 6.684 1.00 0.00 H new ATOM 1508 N PRO A 95 -16.120 1.289 8.240 1.00 0.00 N ATOM 1509 CA PRO A 95 -16.700 0.862 9.498 1.00 0.00 C ATOM 1510 C PRO A 95 -18.198 1.157 9.562 1.00 0.00 C ATOM 1511 O PRO A 95 -18.626 2.232 9.147 1.00 0.00 O ATOM 1512 CB PRO A 95 -15.935 1.647 10.567 1.00 0.00 C ATOM 1513 CG PRO A 95 -14.594 1.971 9.917 1.00 0.00 C ATOM 1514 CD PRO A 95 -14.905 2.044 8.433 1.00 0.00 C ATOM 0 HA PRO A 95 -16.613 -0.216 9.636 1.00 0.00 H new ATOM 0 HB2 PRO A 95 -16.468 2.554 10.850 1.00 0.00 H new ATOM 0 HB3 PRO A 95 -15.804 1.058 11.474 1.00 0.00 H new ATOM 0 HG2 PRO A 95 -14.191 2.914 10.286 1.00 0.00 H new ATOM 0 HG3 PRO A 95 -13.852 1.202 10.131 1.00 0.00 H new ATOM 0 HD2 PRO A 95 -15.034 3.078 8.112 1.00 0.00 H new ATOM 0 HD3 PRO A 95 -14.089 1.627 7.843 1.00 0.00 H new ATOM 1522 N PRO A 96 -19.010 0.222 10.078 1.00 0.00 N ATOM 1523 CA PRO A 96 -20.451 0.399 10.187 1.00 0.00 C ATOM 1524 C PRO A 96 -20.807 1.336 11.341 1.00 0.00 C ATOM 1525 O PRO A 96 -21.805 2.051 11.275 1.00 0.00 O ATOM 1526 CB PRO A 96 -20.990 -1.011 10.436 1.00 0.00 C ATOM 1527 CG PRO A 96 -19.849 -1.698 11.191 1.00 0.00 C ATOM 1528 CD PRO A 96 -18.598 -1.077 10.570 1.00 0.00 C ATOM 0 HA PRO A 96 -20.879 0.855 9.294 1.00 0.00 H new ATOM 0 HB2 PRO A 96 -21.907 -0.993 11.024 1.00 0.00 H new ATOM 0 HB3 PRO A 96 -21.220 -1.524 9.502 1.00 0.00 H new ATOM 0 HG2 PRO A 96 -19.903 -1.508 12.263 1.00 0.00 H new ATOM 0 HG3 PRO A 96 -19.871 -2.780 11.057 1.00 0.00 H new ATOM 0 HD2 PRO A 96 -17.801 -0.982 11.307 1.00 0.00 H new ATOM 0 HD3 PRO A 96 -18.212 -1.698 9.761 1.00 0.00 H new ATOM 1536 N ASP A 97 -19.988 1.333 12.400 1.00 0.00 N ATOM 1537 CA ASP A 97 -20.171 2.184 13.563 1.00 0.00 C ATOM 1538 C ASP A 97 -18.931 2.108 14.450 1.00 0.00 C ATOM 1539 O ASP A 97 -18.661 1.067 15.048 1.00 0.00 O ATOM 1540 CB ASP A 97 -21.394 1.709 14.357 1.00 0.00 C ATOM 1541 CG ASP A 97 -21.592 2.540 15.623 1.00 0.00 C ATOM 1542 OD1 ASP A 97 -21.474 3.782 15.526 1.00 0.00 O ATOM 1543 OD2 ASP A 97 -21.862 1.926 16.679 1.00 0.00 O ATOM 0 H ASP A 97 -19.170 0.727 12.466 1.00 0.00 H new ATOM 0 HA ASP A 97 -20.324 3.213 13.238 1.00 0.00 H new ATOM 0 HB2 ASP A 97 -22.284 1.777 13.732 1.00 0.00 H new ATOM 0 HB3 ASP A 97 -21.271 0.659 14.624 1.00 0.00 H new ATOM 1548 N SER A 98 -18.175 3.208 14.538 1.00 0.00 N ATOM 1549 CA SER A 98 -16.959 3.254 15.348 1.00 0.00 C ATOM 1550 C SER A 98 -16.680 4.656 15.884 1.00 0.00 C ATOM 1551 O SER A 98 -15.660 4.864 16.534 1.00 0.00 O ATOM 1552 CB SER A 98 -15.757 2.801 14.516 1.00 0.00 C ATOM 1553 OG SER A 98 -15.951 1.485 14.043 1.00 0.00 O ATOM 0 H SER A 98 -18.388 4.081 14.055 1.00 0.00 H new ATOM 0 HA SER A 98 -17.113 2.584 16.194 1.00 0.00 H new ATOM 0 HB2 SER A 98 -15.614 3.479 13.674 1.00 0.00 H new ATOM 0 HB3 SER A 98 -14.851 2.847 15.120 1.00 0.00 H new ATOM 0 HG SER A 98 -15.117 1.152 13.650 1.00 0.00 H new ATOM 1559 N HIS A 99 -17.564 5.620 15.618 1.00 0.00 N ATOM 1560 CA HIS A 99 -17.334 7.008 16.006 1.00 0.00 C ATOM 1561 C HIS A 99 -18.657 7.713 16.310 1.00 0.00 C ATOM 1562 O HIS A 99 -19.729 7.210 15.977 1.00 0.00 O ATOM 1563 CB HIS A 99 -16.596 7.723 14.871 1.00 0.00 C ATOM 1564 CG HIS A 99 -17.436 7.888 13.631 1.00 0.00 C ATOM 1565 ND1 HIS A 99 -18.154 9.037 13.293 1.00 0.00 N ATOM 1566 CD2 HIS A 99 -17.625 6.937 12.667 1.00 0.00 C ATOM 1567 CE1 HIS A 99 -18.761 8.749 12.129 1.00 0.00 C ATOM 1568 NE2 HIS A 99 -18.460 7.500 11.730 1.00 0.00 N ATOM 0 H HIS A 99 -18.448 5.461 15.134 1.00 0.00 H new ATOM 0 HA HIS A 99 -16.728 7.034 16.912 1.00 0.00 H new ATOM 0 HB2 HIS A 99 -16.273 8.705 15.217 1.00 0.00 H new ATOM 0 HB3 HIS A 99 -15.696 7.162 14.621 1.00 0.00 H new ATOM 0 HD2 HIS A 99 -17.203 5.943 12.646 1.00 0.00 H new ATOM 0 HE1 HIS A 99 -19.403 9.428 11.588 1.00 0.00 H new ATOM 0 HE2 HIS A 99 -18.794 7.048 10.879 1.00 0.00 H new ATOM 1576 N HIS A 100 -18.572 8.887 16.947 1.00 0.00 N ATOM 1577 CA HIS A 100 -19.736 9.679 17.332 1.00 0.00 C ATOM 1578 C HIS A 100 -19.411 11.171 17.269 1.00 0.00 C ATOM 1579 O HIS A 100 -18.250 11.549 17.101 1.00 0.00 O ATOM 1580 CB HIS A 100 -20.170 9.302 18.752 1.00 0.00 C ATOM 1581 CG HIS A 100 -20.536 7.848 18.909 1.00 0.00 C ATOM 1582 ND1 HIS A 100 -19.716 6.866 19.470 1.00 0.00 N ATOM 1583 CD2 HIS A 100 -21.718 7.284 18.529 1.00 0.00 C ATOM 1584 CE1 HIS A 100 -20.427 5.729 19.406 1.00 0.00 C ATOM 1585 NE2 HIS A 100 -21.630 5.950 18.844 1.00 0.00 N ATOM 0 H HIS A 100 -17.684 9.314 17.210 1.00 0.00 H new ATOM 0 HA HIS A 100 -20.549 9.469 16.637 1.00 0.00 H new ATOM 0 HB2 HIS A 100 -19.363 9.541 19.444 1.00 0.00 H new ATOM 0 HB3 HIS A 100 -21.025 9.915 19.036 1.00 0.00 H new ATOM 0 HD2 HIS A 100 -22.557 7.787 18.071 1.00 0.00 H new ATOM 0 HE1 HIS A 100 -20.081 4.768 19.757 1.00 0.00 H new ATOM 0 HE2 HIS A 100 -22.352 5.248 18.680 1.00 0.00 H new ATOM 1593 N SER A 101 -20.438 12.014 17.403 1.00 0.00 N ATOM 1594 CA SER A 101 -20.286 13.465 17.378 1.00 0.00 C ATOM 1595 C SER A 101 -21.408 14.122 18.178 1.00 0.00 C ATOM 1596 O SER A 101 -22.586 13.851 17.854 1.00 0.00 O ATOM 1597 CB SER A 101 -20.306 13.954 15.931 1.00 0.00 C ATOM 1598 OG SER A 101 -20.102 15.352 15.903 1.00 0.00 O ATOM 1599 OXT SER A 101 -21.073 14.890 19.107 1.00 0.00 O ATOM 0 H SER A 101 -21.401 11.705 17.532 1.00 0.00 H new ATOM 0 HA SER A 101 -19.333 13.738 17.832 1.00 0.00 H new ATOM 0 HB2 SER A 101 -19.529 13.451 15.355 1.00 0.00 H new ATOM 0 HB3 SER A 101 -21.260 13.706 15.465 1.00 0.00 H new ATOM 0 HG SER A 101 -20.113 15.666 14.975 1.00 0.00 H new TER 1605 SER A 101 ATOM 1606 O5' U B 102 -4.306 -8.309 12.077 1.00 0.00 O ATOM 1607 C5' U B 102 -4.225 -7.150 11.269 1.00 0.00 C ATOM 1608 C4' U B 102 -4.337 -5.898 12.141 1.00 0.00 C ATOM 1609 O4' U B 102 -3.141 -5.726 12.878 1.00 0.00 O ATOM 1610 C3' U B 102 -4.526 -4.659 11.257 1.00 0.00 C ATOM 1611 O3' U B 102 -5.415 -3.755 11.888 1.00 0.00 O ATOM 1612 C2' U B 102 -3.126 -4.063 11.262 1.00 0.00 C ATOM 1613 O2' U B 102 -3.132 -2.680 10.976 1.00 0.00 O ATOM 1614 C1' U B 102 -2.730 -4.391 12.693 1.00 0.00 C ATOM 1615 N1 U B 102 -1.290 -4.195 12.948 1.00 0.00 N ATOM 1616 C2 U B 102 -0.357 -5.111 12.478 1.00 0.00 C ATOM 1617 O2 U B 102 -0.656 -6.097 11.809 1.00 0.00 O ATOM 1618 N3 U B 102 0.967 -4.853 12.805 1.00 0.00 N ATOM 1619 C4 U B 102 1.426 -3.770 13.536 1.00 0.00 C ATOM 1620 O4 U B 102 2.622 -3.648 13.785 1.00 0.00 O ATOM 1621 C5 U B 102 0.390 -2.854 13.950 1.00 0.00 C ATOM 1622 C6 U B 102 -0.907 -3.090 13.647 1.00 0.00 C ATOM 0 H5' U B 102 -5.022 -7.158 10.525 1.00 0.00 H new ATOM 0 H5'' U B 102 -3.281 -7.141 10.724 1.00 0.00 H new ATOM 0 H4' U B 102 -5.188 -6.017 12.811 1.00 0.00 H new ATOM 0 H3' U B 102 -4.927 -4.874 10.267 1.00 0.00 H new ATOM 0 H2' U B 102 -2.442 -4.446 10.505 1.00 0.00 H new ATOM 0 HO2' U B 102 -2.684 -2.194 11.700 1.00 0.00 H new ATOM 0 HO5' U B 102 -4.235 -9.107 11.512 1.00 0.00 H new ATOM 0 H1' U B 102 -3.205 -3.719 13.408 1.00 0.00 H new ATOM 0 H3 U B 102 1.665 -5.521 12.477 1.00 0.00 H new ATOM 0 H5 U B 102 0.654 -1.968 14.509 1.00 0.00 H new ATOM 0 H6 U B 102 -1.659 -2.384 13.968 1.00 0.00 H new ATOM 1634 P C B 103 -7.003 -4.030 11.953 1.00 0.00 P ATOM 1635 OP1 C B 103 -7.536 -3.362 13.162 1.00 0.00 O ATOM 1636 OP2 C B 103 -7.233 -5.484 11.765 1.00 0.00 O ATOM 1637 O5' C B 103 -7.590 -3.275 10.660 1.00 0.00 O ATOM 1638 C5' C B 103 -7.644 -1.864 10.593 1.00 0.00 C ATOM 1639 C4' C B 103 -8.826 -1.412 9.732 1.00 0.00 C ATOM 1640 O4' C B 103 -8.628 -1.737 8.363 1.00 0.00 O ATOM 1641 C3' C B 103 -10.108 -2.106 10.194 1.00 0.00 C ATOM 1642 O3' C B 103 -11.217 -1.233 10.065 1.00 0.00 O ATOM 1643 C2' C B 103 -10.214 -3.266 9.215 1.00 0.00 C ATOM 1644 O2' C B 103 -11.558 -3.678 9.046 1.00 0.00 O ATOM 1645 C1' C B 103 -9.617 -2.668 7.946 1.00 0.00 C ATOM 1646 N1 C B 103 -8.979 -3.714 7.118 1.00 0.00 N ATOM 1647 C2 C B 103 -9.334 -3.822 5.780 1.00 0.00 C ATOM 1648 O2 C B 103 -10.188 -3.082 5.294 1.00 0.00 O ATOM 1649 N3 C B 103 -8.716 -4.758 5.012 1.00 0.00 N ATOM 1650 C4 C B 103 -7.809 -5.581 5.543 1.00 0.00 C ATOM 1651 N4 C B 103 -7.221 -6.485 4.764 1.00 0.00 N ATOM 1652 C5 C B 103 -7.452 -5.505 6.923 1.00 0.00 C ATOM 1653 C6 C B 103 -8.062 -4.562 7.670 1.00 0.00 C ATOM 0 H5' C B 103 -6.714 -1.478 10.175 1.00 0.00 H new ATOM 0 H5'' C B 103 -7.739 -1.450 11.597 1.00 0.00 H new ATOM 0 H4' C B 103 -8.907 -0.331 9.841 1.00 0.00 H new ATOM 0 H3' C B 103 -10.094 -2.416 11.239 1.00 0.00 H new ATOM 0 H2' C B 103 -9.702 -4.172 9.539 1.00 0.00 H new ATOM 0 HO2' C B 103 -12.157 -2.923 9.225 1.00 0.00 H new ATOM 0 H1' C B 103 -10.396 -2.197 7.347 1.00 0.00 H new ATOM 0 H41 C B 103 -6.526 -7.121 5.155 1.00 0.00 H new ATOM 0 H42 C B 103 -7.465 -6.542 3.775 1.00 0.00 H new ATOM 0 H5 C B 103 -6.722 -6.176 7.352 1.00 0.00 H new ATOM 0 H6 C B 103 -7.822 -4.476 8.719 1.00 0.00 H new ATOM 1665 P C B 104 -11.409 0.000 11.083 1.00 0.00 P ATOM 1666 OP1 C B 104 -10.216 0.064 11.957 1.00 0.00 O ATOM 1667 OP2 C B 104 -12.750 -0.117 11.697 1.00 0.00 O ATOM 1668 O5' C B 104 -11.390 1.297 10.124 1.00 0.00 O ATOM 1669 C5' C B 104 -11.334 2.592 10.689 1.00 0.00 C ATOM 1670 C4' C B 104 -11.118 3.692 9.643 1.00 0.00 C ATOM 1671 O4' C B 104 -10.188 3.277 8.661 1.00 0.00 O ATOM 1672 C3' C B 104 -12.371 4.137 8.895 1.00 0.00 C ATOM 1673 O3' C B 104 -13.168 5.075 9.598 1.00 0.00 O ATOM 1674 C2' C B 104 -11.776 4.722 7.631 1.00 0.00 C ATOM 1675 O2' C B 104 -11.406 6.072 7.818 1.00 0.00 O ATOM 1676 C1' C B 104 -10.531 3.890 7.429 1.00 0.00 C ATOM 1677 N1 C B 104 -10.838 2.876 6.401 1.00 0.00 N ATOM 1678 C2 C B 104 -10.415 3.108 5.096 1.00 0.00 C ATOM 1679 O2 C B 104 -9.764 4.112 4.810 1.00 0.00 O ATOM 1680 N3 C B 104 -10.738 2.196 4.140 1.00 0.00 N ATOM 1681 C4 C B 104 -11.411 1.089 4.455 1.00 0.00 C ATOM 1682 N4 C B 104 -11.686 0.221 3.486 1.00 0.00 N ATOM 1683 C5 C B 104 -11.830 0.821 5.795 1.00 0.00 C ATOM 1684 C6 C B 104 -11.538 1.754 6.728 1.00 0.00 C ATOM 0 H5' C B 104 -10.526 2.629 11.420 1.00 0.00 H new ATOM 0 H5'' C B 104 -12.261 2.788 11.228 1.00 0.00 H new ATOM 0 H4' C B 104 -10.760 4.536 10.233 1.00 0.00 H new ATOM 0 H3' C B 104 -13.075 3.321 8.731 1.00 0.00 H new ATOM 0 H2' C B 104 -12.473 4.703 6.793 1.00 0.00 H new ATOM 0 HO2' C B 104 -11.639 6.589 7.019 1.00 0.00 H new ATOM 0 H1' C B 104 -9.687 4.497 7.102 1.00 0.00 H new ATOM 0 H41 C B 104 -12.200 -0.634 3.698 1.00 0.00 H new ATOM 0 H42 C B 104 -11.383 0.411 2.531 1.00 0.00 H new ATOM 0 H5 C B 104 -12.357 -0.087 6.050 1.00 0.00 H new ATOM 0 H6 C B 104 -11.864 1.608 7.747 1.00 0.00 H new ATOM 1696 P A B 105 -14.591 5.529 8.994 1.00 0.00 P ATOM 1697 OP1 A B 105 -15.657 5.033 9.895 1.00 0.00 O ATOM 1698 OP2 A B 105 -14.615 5.150 7.566 1.00 0.00 O ATOM 1699 O5' A B 105 -14.603 7.134 9.029 1.00 0.00 O ATOM 1700 C5' A B 105 -15.429 7.840 9.934 1.00 0.00 C ATOM 1701 C4' A B 105 -14.746 8.055 11.279 1.00 0.00 C ATOM 1702 O4' A B 105 -14.552 6.843 11.995 1.00 0.00 O ATOM 1703 C3' A B 105 -13.377 8.737 11.115 1.00 0.00 C ATOM 1704 O3' A B 105 -13.371 9.979 11.795 1.00 0.00 O ATOM 1705 C2' A B 105 -12.455 7.747 11.814 1.00 0.00 C ATOM 1706 O2' A B 105 -11.377 8.369 12.486 1.00 0.00 O ATOM 1707 C1' A B 105 -13.409 7.075 12.785 1.00 0.00 C ATOM 1708 N9 A B 105 -12.804 5.878 13.392 1.00 0.00 N ATOM 1709 C8 A B 105 -12.189 4.834 12.771 1.00 0.00 C ATOM 1710 N7 A B 105 -11.721 3.918 13.572 1.00 0.00 N ATOM 1711 C5 A B 105 -12.035 4.411 14.833 1.00 0.00 C ATOM 1712 C6 A B 105 -11.785 3.944 16.139 1.00 0.00 C ATOM 1713 N6 A B 105 -11.146 2.804 16.413 1.00 0.00 N ATOM 1714 N1 A B 105 -12.207 4.686 17.170 1.00 0.00 N ATOM 1715 C2 A B 105 -12.834 5.829 16.922 1.00 0.00 C ATOM 1716 N3 A B 105 -13.131 6.384 15.756 1.00 0.00 N ATOM 1717 C4 A B 105 -12.699 5.606 14.736 1.00 0.00 C ATOM 0 H5' A B 105 -16.358 7.289 10.083 1.00 0.00 H new ATOM 0 H5'' A B 105 -15.696 8.805 9.504 1.00 0.00 H new ATOM 0 H4' A B 105 -15.420 8.697 11.845 1.00 0.00 H new ATOM 0 H3' A B 105 -13.100 8.951 10.083 1.00 0.00 H new ATOM 0 H2' A B 105 -11.958 7.065 11.124 1.00 0.00 H new ATOM 0 HO2' A B 105 -10.710 8.663 11.831 1.00 0.00 H new ATOM 0 H1' A B 105 -13.663 7.670 13.662 1.00 0.00 H new ATOM 0 H8 A B 105 -12.096 4.770 11.697 1.00 0.00 H new ATOM 0 H61 A B 105 -10.997 2.523 17.382 1.00 0.00 H new ATOM 0 H62 A B 105 -10.807 2.214 15.653 1.00 0.00 H new ATOM 0 H2 A B 105 -13.146 6.385 17.793 1.00 0.00 H new ATOM 1729 P G B 106 -13.966 11.317 11.119 1.00 0.00 P ATOM 1730 OP1 G B 106 -14.047 12.355 12.171 1.00 0.00 O ATOM 1731 OP2 G B 106 -15.174 10.956 10.352 1.00 0.00 O ATOM 1732 O5' G B 106 -12.815 11.744 10.075 1.00 0.00 O ATOM 1733 C5' G B 106 -11.586 12.256 10.546 1.00 0.00 C ATOM 1734 C4' G B 106 -10.724 12.825 9.413 1.00 0.00 C ATOM 1735 O4' G B 106 -10.117 11.798 8.646 1.00 0.00 O ATOM 1736 C3' G B 106 -11.538 13.710 8.477 1.00 0.00 C ATOM 1737 O3' G B 106 -10.791 14.876 8.186 1.00 0.00 O ATOM 1738 C2' G B 106 -11.723 12.868 7.224 1.00 0.00 C ATOM 1739 O2' G B 106 -11.581 13.644 6.053 1.00 0.00 O ATOM 1740 C1' G B 106 -10.630 11.809 7.321 1.00 0.00 C ATOM 1741 N9 G B 106 -11.193 10.496 6.964 1.00 0.00 N ATOM 1742 C8 G B 106 -12.346 9.909 7.413 1.00 0.00 C ATOM 1743 N7 G B 106 -12.604 8.755 6.863 1.00 0.00 N ATOM 1744 C5 G B 106 -11.530 8.551 5.995 1.00 0.00 C ATOM 1745 C6 G B 106 -11.253 7.476 5.104 1.00 0.00 C ATOM 1746 O6 G B 106 -11.918 6.460 4.898 1.00 0.00 O ATOM 1747 N1 G B 106 -10.068 7.667 4.414 1.00 0.00 N ATOM 1748 C2 G B 106 -9.251 8.763 4.545 1.00 0.00 C ATOM 1749 N2 G B 106 -8.153 8.779 3.798 1.00 0.00 N ATOM 1750 N3 G B 106 -9.503 9.784 5.367 1.00 0.00 N ATOM 1751 C4 G B 106 -10.656 9.612 6.062 1.00 0.00 C ATOM 0 H5' G B 106 -11.036 11.465 11.056 1.00 0.00 H new ATOM 0 H5'' G B 106 -11.778 13.037 11.282 1.00 0.00 H new ATOM 0 H4' G B 106 -9.949 13.421 9.895 1.00 0.00 H new ATOM 0 H3' G B 106 -12.493 14.025 8.898 1.00 0.00 H new ATOM 0 H2' G B 106 -12.721 12.434 7.162 1.00 0.00 H new ATOM 0 HO2' G B 106 -11.047 14.441 6.252 1.00 0.00 H new ATOM 0 H1' G B 106 -9.817 12.035 6.631 1.00 0.00 H new ATOM 0 H8 G B 106 -12.985 10.362 8.157 1.00 0.00 H new ATOM 0 H1 G B 106 -9.780 6.939 3.760 1.00 0.00 H new ATOM 0 H21 G B 106 -7.509 9.568 3.854 1.00 0.00 H new ATOM 0 H22 G B 106 -7.953 8.002 3.168 1.00 0.00 H new ATOM 1763 P U B 107 -11.173 16.281 8.858 1.00 0.00 P ATOM 1764 OP1 U B 107 -10.044 17.220 8.659 1.00 0.00 O ATOM 1765 OP2 U B 107 -11.685 16.028 10.224 1.00 0.00 O ATOM 1766 O5' U B 107 -12.394 16.754 7.929 1.00 0.00 O ATOM 1767 C5' U B 107 -12.152 17.224 6.619 1.00 0.00 C ATOM 1768 C4' U B 107 -13.472 17.381 5.862 1.00 0.00 C ATOM 1769 O4' U B 107 -13.427 18.543 5.049 1.00 0.00 O ATOM 1770 C3' U B 107 -13.681 16.229 4.884 1.00 0.00 C ATOM 1771 O3' U B 107 -15.035 16.204 4.465 1.00 0.00 O ATOM 1772 C2' U B 107 -12.753 16.670 3.763 1.00 0.00 C ATOM 1773 O2' U B 107 -13.159 16.151 2.518 1.00 0.00 O ATOM 1774 C1' U B 107 -12.835 18.200 3.799 1.00 0.00 C ATOM 1775 N1 U B 107 -11.494 18.800 3.563 1.00 0.00 N ATOM 1776 C2 U B 107 -11.107 19.939 4.269 1.00 0.00 C ATOM 1777 O2 U B 107 -11.832 20.520 5.077 1.00 0.00 O ATOM 1778 N3 U B 107 -9.832 20.415 4.017 1.00 0.00 N ATOM 1779 C4 U B 107 -8.932 19.891 3.108 1.00 0.00 C ATOM 1780 O4 U B 107 -7.831 20.407 2.957 1.00 0.00 O ATOM 1781 C5 U B 107 -9.416 18.729 2.400 1.00 0.00 C ATOM 1782 C6 U B 107 -10.649 18.233 2.640 1.00 0.00 C ATOM 0 H5' U B 107 -11.501 16.528 6.090 1.00 0.00 H new ATOM 0 H5'' U B 107 -11.631 18.181 6.658 1.00 0.00 H new ATOM 0 H4' U B 107 -14.262 17.421 6.612 1.00 0.00 H new ATOM 0 H3' U B 107 -13.479 15.228 5.265 1.00 0.00 H new ATOM 0 H2' U B 107 -11.734 16.306 3.895 1.00 0.00 H new ATOM 0 HO2' U B 107 -12.859 16.748 1.801 1.00 0.00 H new ATOM 0 HO3' U B 107 -15.112 16.624 3.583 1.00 0.00 H new ATOM 0 H1' U B 107 -13.455 18.607 3.000 1.00 0.00 H new ATOM 0 H3 U B 107 -9.528 21.228 4.552 1.00 0.00 H new ATOM 0 H5 U B 107 -8.783 18.250 1.668 1.00 0.00 H new ATOM 0 H6 U B 107 -10.981 17.365 2.090 1.00 0.00 H new TER 1794 U B 107