USER MOD reduce.3.24.130724 H: found=0, std=0, add=714, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 712 hydrogens (62 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 35 HIS : no HE2:sc= -2.11! C(o=-1.5!,f=-5.3!) USER MOD Set 1.2: A 76 ASN : amide:sc= 0.584 K(o=-1.5,f=-5.7!) USER MOD Set 2.1: A 16 TYR OH : rot -86:sc= -0.0299 USER MOD Set 2.2: A 65 ASN : amide:sc= -7.37! C(o=-4.3!,f=-5.4!) USER MOD Set 2.3: A 68 SER OG : rot -17:sc= 1.3! USER MOD Set 2.4: A 72 LYS NZ :NH3+ -129:sc= 1.78 (180deg=-0.00712) USER MOD Set 3.1: A 59 HIS : no HE2:sc= -2.98! C(o=-3.4!,f=-8.5!) USER MOD Set 3.2: A 60 ASN : amide:sc= -0.413 K(o=-3.4,f=-12!) USER MOD Set 4.1: A 5 GLN : amide:sc= 0.71 K(o=3.2,f=-8!) USER MOD Set 4.2: A 8 SER OG : rot 143:sc= 0.327 USER MOD Set 4.3: A 9 LYS NZ :NH3+ -137:sc= 2.18 (180deg=0) USER MOD Set 5.1: A 1 LEU N :NH3+ 136:sc= 0.848 (180deg=0) USER MOD Set 5.2: A 2 ASN : amide:sc= -3.48! C(o=-2.6!,f=-12!) USER MOD Single : A 10 MET CE :methyl -179:sc= -6.96! (180deg=-7.06!) USER MOD Single : A 11 LYS NZ :NH3+ -117:sc= 0.356 (180deg=-2.15!) USER MOD Single : A 15 THR OG1 : rot 115:sc= 0.229 USER MOD Single : A 18 GLN : amide:sc= -0.54 K(o=-0.54,f=-2.7!) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 29 ASN : amide:sc= -4.62! C(o=-4.6!,f=-5.3!) USER MOD Single : A 36 ASN : amide:sc= -0.45! X(o=-0.45!,f=-0.45) USER MOD Single : A 37 GLN : amide:sc= 1.13 K(o=1.1,f=-1.9!) USER MOD Single : A 39 GLN : amide:sc= 0.207 K(o=0.21,f=-10!) USER MOD Single : A 40 SER OG : rot 100:sc= 1.21 USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 45 GLN :FLIP amide:sc= -0.0714 F(o=-1.6!,f=-0.071) USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 ASN :FLIP amide:sc= -0.312 F(o=-1,f=-0.31) USER MOD Single : A 52 LYS NZ :NH3+ -115:sc= -2.07! (180deg=-6.62!) USER MOD Single : A 62 ASN :FLIP amide:sc= -0.123 F(o=-1.7!,f=-0.12) USER MOD Single : A 64 ASN : amide:sc= 0.766 K(o=0.77,f=-3.3!) USER MOD Single : A 71 SER OG : rot -73:sc= 1.16! USER MOD Single : A 74 ASN : amide:sc= -0.606 K(o=-0.61,f=-1.2) USER MOD Single : A 79 TYR OH : rot 180:sc= -0.535 USER MOD Single : A 80 THR OG1 : rot -133:sc= -0.37 USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 88 SER OG : rot -22:sc= 0.379 USER MOD Single : A 91 TYR OH : rot 180:sc= 0 USER MOD Single : A 92 COA O2B : rot -134:sc= 0.95 USER MOD Single : A 92 COA OAP : rot 61:sc= 0.842 USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 1 -7.740 7.316 9.648 1.00 0.00 N ATOM 2 CA LEU A 1 -7.441 5.893 10.041 1.00 0.00 C ATOM 3 C LEU A 1 -6.960 5.181 8.776 1.00 0.00 C ATOM 4 O LEU A 1 -5.824 4.767 8.712 1.00 0.00 O ATOM 5 CB LEU A 1 -8.746 5.251 10.617 1.00 0.00 C ATOM 6 CG LEU A 1 -8.720 3.698 10.582 1.00 0.00 C ATOM 7 CD1 LEU A 1 -7.483 3.137 11.302 1.00 0.00 C ATOM 8 CD2 LEU A 1 -9.968 3.210 11.322 1.00 0.00 C ATOM 0 H1 LEU A 1 -8.640 7.612 10.076 1.00 0.00 H new ATOM 0 H2 LEU A 1 -6.976 7.937 9.984 1.00 0.00 H new ATOM 0 H3 LEU A 1 -7.810 7.383 8.613 1.00 0.00 H new ATOM 0 HA LEU A 1 -6.673 5.820 10.811 1.00 0.00 H new ATOM 0 HB2 LEU A 1 -8.886 5.584 11.645 1.00 0.00 H new ATOM 0 HB3 LEU A 1 -9.603 5.608 10.047 1.00 0.00 H new ATOM 0 HG LEU A 1 -8.691 3.362 9.546 1.00 0.00 H new ATOM 0 HD11 LEU A 1 -7.499 2.048 11.257 1.00 0.00 H new ATOM 0 HD12 LEU A 1 -6.580 3.507 10.816 1.00 0.00 H new ATOM 0 HD13 LEU A 1 -7.492 3.457 12.344 1.00 0.00 H new ATOM 0 HD21 LEU A 1 -9.989 2.120 11.321 1.00 0.00 H new ATOM 0 HD22 LEU A 1 -9.946 3.571 12.350 1.00 0.00 H new ATOM 0 HD23 LEU A 1 -10.859 3.590 10.823 1.00 0.00 H new ATOM 22 N ASN A 2 -7.861 5.066 7.839 1.00 0.00 N ATOM 23 CA ASN A 2 -7.604 4.425 6.511 1.00 0.00 C ATOM 24 C ASN A 2 -6.102 4.359 6.139 1.00 0.00 C ATOM 25 O ASN A 2 -5.546 3.309 5.890 1.00 0.00 O ATOM 26 CB ASN A 2 -8.419 5.260 5.497 1.00 0.00 C ATOM 27 CG ASN A 2 -8.055 6.749 5.648 1.00 0.00 C ATOM 28 OD1 ASN A 2 -7.944 7.273 6.741 1.00 0.00 O ATOM 29 ND2 ASN A 2 -7.850 7.481 4.604 1.00 0.00 N ATOM 0 H ASN A 2 -8.816 5.408 7.945 1.00 0.00 H new ATOM 0 HA ASN A 2 -7.910 3.379 6.521 1.00 0.00 H new ATOM 0 HB2 ASN A 2 -8.209 4.924 4.481 1.00 0.00 H new ATOM 0 HB3 ASN A 2 -9.486 5.117 5.666 1.00 0.00 H new ATOM 0 HD21 ASN A 2 -7.604 8.465 4.711 1.00 0.00 H new ATOM 0 HD22 ASN A 2 -7.934 7.075 3.672 1.00 0.00 H new ATOM 36 N CYS A 3 -5.492 5.513 6.147 1.00 0.00 N ATOM 37 CA CYS A 3 -4.052 5.616 5.802 1.00 0.00 C ATOM 38 C CYS A 3 -3.104 5.701 7.009 1.00 0.00 C ATOM 39 O CYS A 3 -2.411 6.671 7.232 1.00 0.00 O ATOM 40 CB CYS A 3 -3.916 6.832 4.905 1.00 0.00 C ATOM 41 SG CYS A 3 -5.026 6.946 3.488 1.00 0.00 S ATOM 0 H CYS A 3 -5.940 6.399 6.382 1.00 0.00 H new ATOM 0 HA CYS A 3 -3.744 4.697 5.304 1.00 0.00 H new ATOM 0 HB2 CYS A 3 -4.061 7.721 5.519 1.00 0.00 H new ATOM 0 HB3 CYS A 3 -2.892 6.864 4.534 1.00 0.00 H new ATOM 46 N GLY A 4 -3.151 4.640 7.761 1.00 0.00 N ATOM 47 CA GLY A 4 -2.294 4.475 8.993 1.00 0.00 C ATOM 48 C GLY A 4 -1.755 3.071 8.769 1.00 0.00 C ATOM 49 O GLY A 4 -0.593 2.782 8.546 1.00 0.00 O ATOM 0 H GLY A 4 -3.765 3.847 7.576 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -1.500 5.220 9.049 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -2.872 4.555 9.914 1.00 0.00 H new ATOM 53 N GLN A 5 -2.732 2.210 8.838 1.00 0.00 N ATOM 54 CA GLN A 5 -2.566 0.723 8.647 1.00 0.00 C ATOM 55 C GLN A 5 -1.698 0.468 7.406 1.00 0.00 C ATOM 56 O GLN A 5 -0.889 -0.439 7.330 1.00 0.00 O ATOM 57 CB GLN A 5 -3.984 0.116 8.483 1.00 0.00 C ATOM 58 CG GLN A 5 -4.283 -0.965 9.556 1.00 0.00 C ATOM 59 CD GLN A 5 -3.663 -2.303 9.178 1.00 0.00 C ATOM 60 OE1 GLN A 5 -2.583 -2.668 9.596 1.00 0.00 O ATOM 61 NE2 GLN A 5 -4.307 -3.093 8.378 1.00 0.00 N ATOM 0 H GLN A 5 -3.695 2.485 9.029 1.00 0.00 H new ATOM 0 HA GLN A 5 -2.069 0.259 9.499 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -4.728 0.910 8.551 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -4.077 -0.324 7.490 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -3.894 -0.641 10.521 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -5.361 -1.080 9.670 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -5.217 -2.815 8.010 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -3.904 -3.993 8.116 1.00 0.00 H new ATOM 70 N VAL A 6 -1.957 1.331 6.465 1.00 0.00 N ATOM 71 CA VAL A 6 -1.229 1.266 5.185 1.00 0.00 C ATOM 72 C VAL A 6 0.250 1.165 5.517 1.00 0.00 C ATOM 73 O VAL A 6 0.922 0.261 5.081 1.00 0.00 O ATOM 74 CB VAL A 6 -1.546 2.543 4.339 1.00 0.00 C ATOM 75 CG1 VAL A 6 -0.727 2.391 3.094 1.00 0.00 C ATOM 76 CG2 VAL A 6 -3.046 2.470 3.904 1.00 0.00 C ATOM 0 H VAL A 6 -2.646 2.079 6.535 1.00 0.00 H new ATOM 0 HA VAL A 6 -1.530 0.403 4.591 1.00 0.00 H new ATOM 0 HB VAL A 6 -1.345 3.466 4.883 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -0.892 3.249 2.443 1.00 0.00 H new ATOM 0 HG12 VAL A 6 0.329 2.334 3.358 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -1.021 1.479 2.574 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -3.296 3.350 3.311 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -3.209 1.572 3.308 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -3.680 2.437 4.790 1.00 0.00 H new ATOM 86 N ASP A 7 0.725 2.075 6.313 1.00 0.00 N ATOM 87 CA ASP A 7 2.156 2.091 6.705 1.00 0.00 C ATOM 88 C ASP A 7 2.485 0.857 7.528 1.00 0.00 C ATOM 89 O ASP A 7 3.538 0.266 7.390 1.00 0.00 O ATOM 90 CB ASP A 7 2.392 3.392 7.511 1.00 0.00 C ATOM 91 CG ASP A 7 3.758 4.002 7.205 1.00 0.00 C ATOM 92 OD1 ASP A 7 4.157 3.892 6.053 1.00 0.00 O ATOM 93 OD2 ASP A 7 4.355 4.562 8.114 1.00 0.00 O ATOM 0 H ASP A 7 0.167 2.827 6.718 1.00 0.00 H new ATOM 0 HA ASP A 7 2.808 2.072 5.832 1.00 0.00 H new ATOM 0 HB2 ASP A 7 1.610 4.114 7.276 1.00 0.00 H new ATOM 0 HB3 ASP A 7 2.319 3.179 8.577 1.00 0.00 H new ATOM 98 N SER A 8 1.540 0.508 8.354 1.00 0.00 N ATOM 99 CA SER A 8 1.736 -0.692 9.242 1.00 0.00 C ATOM 100 C SER A 8 2.170 -1.907 8.433 1.00 0.00 C ATOM 101 O SER A 8 3.016 -2.657 8.882 1.00 0.00 O ATOM 102 CB SER A 8 0.443 -1.072 9.989 1.00 0.00 C ATOM 103 OG SER A 8 0.821 -2.233 10.738 1.00 0.00 O ATOM 0 H SER A 8 0.647 0.989 8.459 1.00 0.00 H new ATOM 0 HA SER A 8 2.508 -0.413 9.959 1.00 0.00 H new ATOM 0 HB2 SER A 8 0.104 -0.267 10.640 1.00 0.00 H new ATOM 0 HB3 SER A 8 -0.372 -1.287 9.298 1.00 0.00 H new ATOM 0 HG SER A 8 0.377 -2.218 11.611 1.00 0.00 H new ATOM 109 N LYS A 9 1.527 -2.057 7.300 1.00 0.00 N ATOM 110 CA LYS A 9 1.837 -3.199 6.375 1.00 0.00 C ATOM 111 C LYS A 9 2.599 -2.827 5.060 1.00 0.00 C ATOM 112 O LYS A 9 2.949 -3.701 4.291 1.00 0.00 O ATOM 113 CB LYS A 9 0.519 -3.850 5.994 1.00 0.00 C ATOM 114 CG LYS A 9 -0.472 -4.107 7.127 1.00 0.00 C ATOM 115 CD LYS A 9 0.218 -4.496 8.443 1.00 0.00 C ATOM 116 CE LYS A 9 -0.825 -5.124 9.335 1.00 0.00 C ATOM 117 NZ LYS A 9 -0.846 -4.399 10.638 1.00 0.00 N ATOM 0 H LYS A 9 0.792 -1.431 6.971 1.00 0.00 H new ATOM 0 HA LYS A 9 2.514 -3.855 6.923 1.00 0.00 H new ATOM 0 HB2 LYS A 9 0.030 -3.220 5.251 1.00 0.00 H new ATOM 0 HB3 LYS A 9 0.737 -4.802 5.510 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -1.073 -3.212 7.288 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -1.156 -4.902 6.832 1.00 0.00 H new ATOM 0 HD2 LYS A 9 1.033 -5.195 8.256 1.00 0.00 H new ATOM 0 HD3 LYS A 9 0.653 -3.619 8.921 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -1.805 -5.075 8.861 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -0.600 -6.179 9.494 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -0.911 -5.086 11.416 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 0.026 -3.842 10.740 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -1.668 -3.763 10.668 1.00 0.00 H new ATOM 131 N MET A 10 2.828 -1.570 4.808 1.00 0.00 N ATOM 132 CA MET A 10 3.538 -1.090 3.589 1.00 0.00 C ATOM 133 C MET A 10 4.700 -0.136 3.912 1.00 0.00 C ATOM 134 O MET A 10 5.331 0.351 2.999 1.00 0.00 O ATOM 135 CB MET A 10 2.508 -0.372 2.717 1.00 0.00 C ATOM 136 CG MET A 10 1.236 -1.238 2.548 1.00 0.00 C ATOM 137 SD MET A 10 1.467 -2.927 1.952 1.00 0.00 S ATOM 138 CE MET A 10 1.981 -2.445 0.296 1.00 0.00 C ATOM 0 H MET A 10 2.536 -0.817 5.431 1.00 0.00 H new ATOM 0 HA MET A 10 3.978 -1.947 3.079 1.00 0.00 H new ATOM 0 HB2 MET A 10 2.245 0.585 3.169 1.00 0.00 H new ATOM 0 HB3 MET A 10 2.939 -0.155 1.740 1.00 0.00 H new ATOM 0 HG2 MET A 10 0.728 -1.285 3.511 1.00 0.00 H new ATOM 0 HG3 MET A 10 0.566 -0.724 1.859 1.00 0.00 H new ATOM 0 HE1 MET A 10 2.173 -3.337 -0.300 1.00 0.00 H new ATOM 0 HE2 MET A 10 1.191 -1.858 -0.174 1.00 0.00 H new ATOM 0 HE3 MET A 10 2.890 -1.847 0.357 1.00 0.00 H new ATOM 148 N LYS A 11 4.978 0.136 5.165 1.00 0.00 N ATOM 149 CA LYS A 11 6.100 1.064 5.509 1.00 0.00 C ATOM 150 C LYS A 11 7.410 0.804 4.716 1.00 0.00 C ATOM 151 O LYS A 11 7.800 1.661 3.946 1.00 0.00 O ATOM 152 CB LYS A 11 6.351 0.966 7.037 1.00 0.00 C ATOM 153 CG LYS A 11 7.646 1.738 7.427 1.00 0.00 C ATOM 154 CD LYS A 11 7.278 3.223 7.662 1.00 0.00 C ATOM 155 CE LYS A 11 7.290 4.035 6.379 1.00 0.00 C ATOM 156 NZ LYS A 11 6.401 5.209 6.584 1.00 0.00 N ATOM 0 H LYS A 11 4.474 -0.246 5.965 1.00 0.00 H new ATOM 0 HA LYS A 11 5.798 2.071 5.220 1.00 0.00 H new ATOM 0 HB2 LYS A 11 5.499 1.376 7.579 1.00 0.00 H new ATOM 0 HB3 LYS A 11 6.442 -0.080 7.330 1.00 0.00 H new ATOM 0 HG2 LYS A 11 8.086 1.309 8.327 1.00 0.00 H new ATOM 0 HG3 LYS A 11 8.391 1.653 6.636 1.00 0.00 H new ATOM 0 HD2 LYS A 11 6.289 3.281 8.116 1.00 0.00 H new ATOM 0 HD3 LYS A 11 7.981 3.660 8.371 1.00 0.00 H new ATOM 0 HE2 LYS A 11 8.303 4.358 6.140 1.00 0.00 H new ATOM 0 HE3 LYS A 11 6.941 3.432 5.541 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 5.602 5.160 5.920 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 6.041 5.205 7.560 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 6.937 6.084 6.416 1.00 0.00 H new ATOM 170 N PRO A 12 8.054 -0.331 4.907 1.00 0.00 N ATOM 171 CA PRO A 12 9.220 -0.729 4.082 1.00 0.00 C ATOM 172 C PRO A 12 8.946 -0.615 2.569 1.00 0.00 C ATOM 173 O PRO A 12 9.889 -0.501 1.819 1.00 0.00 O ATOM 174 CB PRO A 12 9.543 -2.150 4.598 1.00 0.00 C ATOM 175 CG PRO A 12 8.202 -2.604 5.212 1.00 0.00 C ATOM 176 CD PRO A 12 7.725 -1.376 5.920 1.00 0.00 C ATOM 0 HA PRO A 12 10.082 -0.070 4.186 1.00 0.00 H new ATOM 0 HB2 PRO A 12 9.863 -2.810 3.792 1.00 0.00 H new ATOM 0 HB3 PRO A 12 10.344 -2.139 5.338 1.00 0.00 H new ATOM 0 HG2 PRO A 12 7.497 -2.929 4.447 1.00 0.00 H new ATOM 0 HG3 PRO A 12 8.335 -3.440 5.899 1.00 0.00 H new ATOM 0 HD2 PRO A 12 6.659 -1.415 6.144 1.00 0.00 H new ATOM 0 HD3 PRO A 12 8.244 -1.215 6.865 1.00 0.00 H new ATOM 184 N CYS A 13 7.708 -0.632 2.125 1.00 0.00 N ATOM 185 CA CYS A 13 7.501 -0.511 0.620 1.00 0.00 C ATOM 186 C CYS A 13 7.540 0.984 0.288 1.00 0.00 C ATOM 187 O CYS A 13 8.261 1.454 -0.573 1.00 0.00 O ATOM 188 CB CYS A 13 6.142 -1.125 0.234 1.00 0.00 C ATOM 189 SG CYS A 13 6.173 -2.935 0.173 1.00 0.00 S ATOM 0 H CYS A 13 6.866 -0.719 2.694 1.00 0.00 H new ATOM 0 HA CYS A 13 8.272 -1.044 0.064 1.00 0.00 H new ATOM 0 HB2 CYS A 13 5.388 -0.804 0.953 1.00 0.00 H new ATOM 0 HB3 CYS A 13 5.839 -0.740 -0.740 1.00 0.00 H new ATOM 194 N LEU A 14 6.720 1.683 1.032 1.00 0.00 N ATOM 195 CA LEU A 14 6.573 3.162 0.922 1.00 0.00 C ATOM 196 C LEU A 14 8.006 3.669 0.892 1.00 0.00 C ATOM 197 O LEU A 14 8.419 4.293 -0.065 1.00 0.00 O ATOM 198 CB LEU A 14 5.788 3.693 2.168 1.00 0.00 C ATOM 199 CG LEU A 14 6.095 5.169 2.699 1.00 0.00 C ATOM 200 CD1 LEU A 14 6.717 6.187 1.698 1.00 0.00 C ATOM 201 CD2 LEU A 14 4.763 5.800 3.182 1.00 0.00 C ATOM 0 H LEU A 14 6.120 1.265 1.743 1.00 0.00 H new ATOM 0 HA LEU A 14 6.016 3.492 0.045 1.00 0.00 H new ATOM 0 HB2 LEU A 14 4.724 3.640 1.935 1.00 0.00 H new ATOM 0 HB3 LEU A 14 5.969 3.002 2.991 1.00 0.00 H new ATOM 0 HG LEU A 14 6.850 5.010 3.469 1.00 0.00 H new ATOM 0 HD11 LEU A 14 6.869 7.143 2.199 1.00 0.00 H new ATOM 0 HD12 LEU A 14 7.675 5.808 1.342 1.00 0.00 H new ATOM 0 HD13 LEU A 14 6.043 6.323 0.852 1.00 0.00 H new ATOM 0 HD21 LEU A 14 4.950 6.809 3.549 1.00 0.00 H new ATOM 0 HD22 LEU A 14 4.058 5.841 2.352 1.00 0.00 H new ATOM 0 HD23 LEU A 14 4.343 5.194 3.985 1.00 0.00 H new ATOM 213 N THR A 15 8.745 3.372 1.940 1.00 0.00 N ATOM 214 CA THR A 15 10.175 3.836 1.989 1.00 0.00 C ATOM 215 C THR A 15 10.844 3.305 0.722 1.00 0.00 C ATOM 216 O THR A 15 11.242 4.083 -0.119 1.00 0.00 O ATOM 217 CB THR A 15 10.899 3.275 3.263 1.00 0.00 C ATOM 218 OG1 THR A 15 10.568 1.902 3.299 1.00 0.00 O ATOM 219 CG2 THR A 15 10.230 3.745 4.533 1.00 0.00 C ATOM 0 H THR A 15 8.428 2.839 2.750 1.00 0.00 H new ATOM 0 HA THR A 15 10.230 4.923 2.042 1.00 0.00 H new ATOM 0 HB THR A 15 11.951 3.555 3.213 1.00 0.00 H new ATOM 0 HG1 THR A 15 11.379 1.367 3.170 1.00 0.00 H new ATOM 0 HG21 THR A 15 10.758 3.337 5.395 1.00 0.00 H new ATOM 0 HG22 THR A 15 10.253 4.834 4.575 1.00 0.00 H new ATOM 0 HG23 THR A 15 9.195 3.404 4.547 1.00 0.00 H new ATOM 227 N TYR A 16 10.957 2.010 0.593 1.00 0.00 N ATOM 228 CA TYR A 16 11.593 1.377 -0.625 1.00 0.00 C ATOM 229 C TYR A 16 11.387 2.194 -1.932 1.00 0.00 C ATOM 230 O TYR A 16 12.339 2.529 -2.610 1.00 0.00 O ATOM 231 CB TYR A 16 10.986 -0.047 -0.697 1.00 0.00 C ATOM 232 CG TYR A 16 11.351 -0.941 -1.882 1.00 0.00 C ATOM 233 CD1 TYR A 16 12.560 -1.593 -1.933 1.00 0.00 C ATOM 234 CD2 TYR A 16 10.453 -1.122 -2.912 1.00 0.00 C ATOM 235 CE1 TYR A 16 12.863 -2.414 -3.000 1.00 0.00 C ATOM 236 CE2 TYR A 16 10.767 -1.946 -3.981 1.00 0.00 C ATOM 237 CZ TYR A 16 11.975 -2.597 -4.027 1.00 0.00 C ATOM 238 OH TYR A 16 12.314 -3.408 -5.094 1.00 0.00 O ATOM 0 H TYR A 16 10.631 1.341 1.290 1.00 0.00 H new ATOM 0 HA TYR A 16 12.679 1.348 -0.531 1.00 0.00 H new ATOM 0 HB2 TYR A 16 11.270 -0.574 0.214 1.00 0.00 H new ATOM 0 HB3 TYR A 16 9.901 0.055 -0.682 1.00 0.00 H new ATOM 0 HD1 TYR A 16 13.276 -1.462 -1.135 1.00 0.00 H new ATOM 0 HD2 TYR A 16 9.498 -0.618 -2.886 1.00 0.00 H new ATOM 0 HE1 TYR A 16 13.816 -2.921 -3.026 1.00 0.00 H new ATOM 0 HE2 TYR A 16 10.056 -2.077 -4.784 1.00 0.00 H new ATOM 0 HH TYR A 16 12.805 -2.883 -5.761 1.00 0.00 H new ATOM 248 N VAL A 17 10.160 2.526 -2.251 1.00 0.00 N ATOM 249 CA VAL A 17 9.877 3.304 -3.505 1.00 0.00 C ATOM 250 C VAL A 17 10.237 4.760 -3.408 1.00 0.00 C ATOM 251 O VAL A 17 10.718 5.251 -4.410 1.00 0.00 O ATOM 252 CB VAL A 17 8.380 3.161 -3.894 1.00 0.00 C ATOM 253 CG1 VAL A 17 8.078 1.706 -3.803 1.00 0.00 C ATOM 254 CG2 VAL A 17 7.372 3.919 -3.065 1.00 0.00 C ATOM 0 H VAL A 17 9.336 2.292 -1.696 1.00 0.00 H new ATOM 0 HA VAL A 17 10.516 2.876 -4.278 1.00 0.00 H new ATOM 0 HB VAL A 17 8.273 3.602 -4.885 1.00 0.00 H new ATOM 0 HG11 VAL A 17 7.034 1.534 -4.066 1.00 0.00 H new ATOM 0 HG12 VAL A 17 8.721 1.157 -4.491 1.00 0.00 H new ATOM 0 HG13 VAL A 17 8.258 1.360 -2.785 1.00 0.00 H new ATOM 0 HG21 VAL A 17 6.369 3.728 -3.447 1.00 0.00 H new ATOM 0 HG22 VAL A 17 7.434 3.591 -2.027 1.00 0.00 H new ATOM 0 HG23 VAL A 17 7.584 4.987 -3.121 1.00 0.00 H new ATOM 264 N GLN A 18 10.023 5.464 -2.318 1.00 0.00 N ATOM 265 CA GLN A 18 10.473 6.898 -2.403 1.00 0.00 C ATOM 266 C GLN A 18 12.010 6.829 -2.473 1.00 0.00 C ATOM 267 O GLN A 18 12.641 7.756 -2.934 1.00 0.00 O ATOM 268 CB GLN A 18 10.007 7.735 -1.159 1.00 0.00 C ATOM 269 CG GLN A 18 10.094 6.977 0.155 1.00 0.00 C ATOM 270 CD GLN A 18 9.585 7.803 1.346 1.00 0.00 C ATOM 271 OE1 GLN A 18 9.590 7.326 2.462 1.00 0.00 O ATOM 272 NE2 GLN A 18 9.139 9.017 1.171 1.00 0.00 N ATOM 0 H GLN A 18 9.597 5.149 -1.446 1.00 0.00 H new ATOM 0 HA GLN A 18 10.039 7.398 -3.269 1.00 0.00 H new ATOM 0 HB2 GLN A 18 10.617 8.636 -1.089 1.00 0.00 H new ATOM 0 HB3 GLN A 18 8.978 8.058 -1.314 1.00 0.00 H new ATOM 0 HG2 GLN A 18 9.513 6.058 0.080 1.00 0.00 H new ATOM 0 HG3 GLN A 18 11.129 6.686 0.335 1.00 0.00 H new ATOM 0 HE21 GLN A 18 9.130 9.428 0.237 1.00 0.00 H new ATOM 0 HE22 GLN A 18 8.799 9.555 1.968 1.00 0.00 H new ATOM 281 N GLY A 19 12.537 5.728 -1.998 1.00 0.00 N ATOM 282 CA GLY A 19 14.019 5.445 -1.984 1.00 0.00 C ATOM 283 C GLY A 19 14.608 5.184 -0.606 1.00 0.00 C ATOM 284 O GLY A 19 15.669 5.679 -0.292 1.00 0.00 O ATOM 0 H GLY A 19 11.977 4.974 -1.599 1.00 0.00 H new ATOM 0 HA2 GLY A 19 14.215 4.579 -2.617 1.00 0.00 H new ATOM 0 HA3 GLY A 19 14.540 6.291 -2.432 1.00 0.00 H new ATOM 288 N GLY A 20 13.914 4.405 0.180 1.00 0.00 N ATOM 289 CA GLY A 20 14.388 4.070 1.572 1.00 0.00 C ATOM 290 C GLY A 20 14.529 2.564 1.857 1.00 0.00 C ATOM 291 O GLY A 20 14.334 1.744 0.979 1.00 0.00 O ATOM 0 H GLY A 20 13.025 3.977 -0.079 1.00 0.00 H new ATOM 0 HA2 GLY A 20 15.353 4.549 1.738 1.00 0.00 H new ATOM 0 HA3 GLY A 20 13.691 4.499 2.292 1.00 0.00 H new ATOM 295 N PRO A 21 14.874 2.248 3.094 1.00 0.00 N ATOM 296 CA PRO A 21 15.069 0.836 3.556 1.00 0.00 C ATOM 297 C PRO A 21 13.913 -0.121 3.206 1.00 0.00 C ATOM 298 O PRO A 21 12.807 0.325 2.947 1.00 0.00 O ATOM 299 CB PRO A 21 15.304 0.994 5.062 1.00 0.00 C ATOM 300 CG PRO A 21 16.018 2.369 5.128 1.00 0.00 C ATOM 301 CD PRO A 21 15.133 3.216 4.205 1.00 0.00 C ATOM 0 HA PRO A 21 15.900 0.351 3.045 1.00 0.00 H new ATOM 0 HB2 PRO A 21 14.370 0.991 5.624 1.00 0.00 H new ATOM 0 HB3 PRO A 21 15.922 0.192 5.466 1.00 0.00 H new ATOM 0 HG2 PRO A 21 16.051 2.766 6.143 1.00 0.00 H new ATOM 0 HG3 PRO A 21 17.047 2.315 4.773 1.00 0.00 H new ATOM 0 HD2 PRO A 21 14.214 3.537 4.695 1.00 0.00 H new ATOM 0 HD3 PRO A 21 15.641 4.116 3.858 1.00 0.00 H new ATOM 309 N GLY A 22 14.205 -1.399 3.239 1.00 0.00 N ATOM 310 CA GLY A 22 13.180 -2.449 2.913 1.00 0.00 C ATOM 311 C GLY A 22 13.735 -3.410 1.842 1.00 0.00 C ATOM 312 O GLY A 22 14.933 -3.477 1.639 1.00 0.00 O ATOM 0 H GLY A 22 15.125 -1.768 3.482 1.00 0.00 H new ATOM 0 HA2 GLY A 22 12.918 -3.006 3.813 1.00 0.00 H new ATOM 0 HA3 GLY A 22 12.266 -1.978 2.552 1.00 0.00 H new ATOM 316 N PRO A 23 12.868 -4.143 1.185 1.00 0.00 N ATOM 317 CA PRO A 23 11.443 -4.379 1.585 1.00 0.00 C ATOM 318 C PRO A 23 11.388 -5.398 2.735 1.00 0.00 C ATOM 319 O PRO A 23 10.589 -5.282 3.644 1.00 0.00 O ATOM 320 CB PRO A 23 10.800 -4.856 0.295 1.00 0.00 C ATOM 321 CG PRO A 23 11.954 -5.669 -0.356 1.00 0.00 C ATOM 322 CD PRO A 23 13.221 -4.835 -0.081 1.00 0.00 C ATOM 0 HA PRO A 23 10.920 -3.507 1.977 1.00 0.00 H new ATOM 0 HB2 PRO A 23 9.920 -5.472 0.481 1.00 0.00 H new ATOM 0 HB3 PRO A 23 10.480 -4.025 -0.334 1.00 0.00 H new ATOM 0 HG2 PRO A 23 12.033 -6.665 0.080 1.00 0.00 H new ATOM 0 HG3 PRO A 23 11.791 -5.802 -1.426 1.00 0.00 H new ATOM 0 HD2 PRO A 23 14.106 -5.462 0.030 1.00 0.00 H new ATOM 0 HD3 PRO A 23 13.428 -4.131 -0.887 1.00 0.00 H new ATOM 330 N SER A 24 12.272 -6.353 2.620 1.00 0.00 N ATOM 331 CA SER A 24 12.411 -7.465 3.615 1.00 0.00 C ATOM 332 C SER A 24 11.101 -8.203 3.998 1.00 0.00 C ATOM 333 O SER A 24 10.003 -7.826 3.628 1.00 0.00 O ATOM 334 CB SER A 24 13.086 -6.831 4.849 1.00 0.00 C ATOM 335 OG SER A 24 14.424 -6.624 4.404 1.00 0.00 O ATOM 0 H SER A 24 12.932 -6.412 1.845 1.00 0.00 H new ATOM 0 HA SER A 24 13.000 -8.264 3.164 1.00 0.00 H new ATOM 0 HB2 SER A 24 12.606 -5.896 5.137 1.00 0.00 H new ATOM 0 HB3 SER A 24 13.045 -7.490 5.716 1.00 0.00 H new ATOM 0 HG SER A 24 14.949 -6.216 5.124 1.00 0.00 H new ATOM 341 N GLY A 25 11.264 -9.279 4.739 1.00 0.00 N ATOM 342 CA GLY A 25 10.087 -10.119 5.210 1.00 0.00 C ATOM 343 C GLY A 25 8.924 -9.231 5.670 1.00 0.00 C ATOM 344 O GLY A 25 7.759 -9.493 5.437 1.00 0.00 O ATOM 0 H GLY A 25 12.174 -9.623 5.047 1.00 0.00 H new ATOM 0 HA2 GLY A 25 9.754 -10.770 4.401 1.00 0.00 H new ATOM 0 HA3 GLY A 25 10.402 -10.765 6.030 1.00 0.00 H new ATOM 348 N GLU A 26 9.352 -8.190 6.329 1.00 0.00 N ATOM 349 CA GLU A 26 8.452 -7.153 6.890 1.00 0.00 C ATOM 350 C GLU A 26 7.570 -6.494 5.823 1.00 0.00 C ATOM 351 O GLU A 26 6.358 -6.589 5.950 1.00 0.00 O ATOM 352 CB GLU A 26 9.363 -6.143 7.622 1.00 0.00 C ATOM 353 CG GLU A 26 10.413 -5.535 6.650 1.00 0.00 C ATOM 354 CD GLU A 26 11.522 -4.825 7.402 1.00 0.00 C ATOM 355 OE1 GLU A 26 11.197 -3.770 7.917 1.00 0.00 O ATOM 356 OE2 GLU A 26 12.604 -5.387 7.407 1.00 0.00 O ATOM 0 H GLU A 26 10.340 -8.012 6.507 1.00 0.00 H new ATOM 0 HA GLU A 26 7.736 -7.596 7.582 1.00 0.00 H new ATOM 0 HB2 GLU A 26 8.757 -5.346 8.053 1.00 0.00 H new ATOM 0 HB3 GLU A 26 9.872 -6.639 8.449 1.00 0.00 H new ATOM 0 HG2 GLU A 26 10.839 -6.326 6.032 1.00 0.00 H new ATOM 0 HG3 GLU A 26 9.922 -4.833 5.976 1.00 0.00 H new ATOM 363 N CYS A 27 8.109 -5.865 4.793 1.00 0.00 N ATOM 364 CA CYS A 27 7.110 -5.274 3.846 1.00 0.00 C ATOM 365 C CYS A 27 6.380 -6.383 3.169 1.00 0.00 C ATOM 366 O CYS A 27 5.188 -6.308 3.033 1.00 0.00 O ATOM 367 CB CYS A 27 7.651 -4.455 2.661 1.00 0.00 C ATOM 368 SG CYS A 27 6.290 -3.366 2.143 1.00 0.00 S ATOM 0 H CYS A 27 9.100 -5.744 4.582 1.00 0.00 H new ATOM 0 HA CYS A 27 6.533 -4.612 4.492 1.00 0.00 H new ATOM 0 HB2 CYS A 27 8.525 -3.874 2.955 1.00 0.00 H new ATOM 0 HB3 CYS A 27 7.961 -5.107 1.845 1.00 0.00 H new ATOM 373 N CYS A 28 7.082 -7.400 2.768 1.00 0.00 N ATOM 374 CA CYS A 28 6.355 -8.507 2.083 1.00 0.00 C ATOM 375 C CYS A 28 5.160 -9.051 2.872 1.00 0.00 C ATOM 376 O CYS A 28 4.095 -9.233 2.312 1.00 0.00 O ATOM 377 CB CYS A 28 7.393 -9.583 1.776 1.00 0.00 C ATOM 378 SG CYS A 28 8.519 -9.121 0.436 1.00 0.00 S ATOM 0 H CYS A 28 8.089 -7.517 2.877 1.00 0.00 H new ATOM 0 HA CYS A 28 5.897 -8.131 1.168 1.00 0.00 H new ATOM 0 HB2 CYS A 28 7.973 -9.787 2.676 1.00 0.00 H new ATOM 0 HB3 CYS A 28 6.881 -10.508 1.510 1.00 0.00 H new ATOM 383 N ASN A 29 5.334 -9.280 4.147 1.00 0.00 N ATOM 384 CA ASN A 29 4.177 -9.811 4.941 1.00 0.00 C ATOM 385 C ASN A 29 3.125 -8.706 5.034 1.00 0.00 C ATOM 386 O ASN A 29 1.950 -8.978 4.879 1.00 0.00 O ATOM 387 CB ASN A 29 4.674 -10.252 6.354 1.00 0.00 C ATOM 388 CG ASN A 29 5.006 -9.131 7.307 1.00 0.00 C ATOM 389 OD1 ASN A 29 4.197 -8.318 7.694 1.00 0.00 O ATOM 390 ND2 ASN A 29 6.211 -9.036 7.738 1.00 0.00 N ATOM 0 H ASN A 29 6.200 -9.129 4.665 1.00 0.00 H new ATOM 0 HA ASN A 29 3.736 -10.685 4.461 1.00 0.00 H new ATOM 0 HB2 ASN A 29 3.907 -10.878 6.810 1.00 0.00 H new ATOM 0 HB3 ASN A 29 5.560 -10.874 6.230 1.00 0.00 H new ATOM 0 HD21 ASN A 29 6.463 -8.291 8.388 1.00 0.00 H new ATOM 0 HD22 ASN A 29 6.917 -9.705 7.431 1.00 0.00 H new ATOM 397 N GLY A 30 3.556 -7.495 5.283 1.00 0.00 N ATOM 398 CA GLY A 30 2.564 -6.378 5.371 1.00 0.00 C ATOM 399 C GLY A 30 1.784 -6.397 4.040 1.00 0.00 C ATOM 400 O GLY A 30 0.597 -6.621 3.987 1.00 0.00 O ATOM 0 H GLY A 30 4.531 -7.233 5.427 1.00 0.00 H new ATOM 0 HA2 GLY A 30 1.893 -6.518 6.219 1.00 0.00 H new ATOM 0 HA3 GLY A 30 3.066 -5.421 5.516 1.00 0.00 H new ATOM 404 N VAL A 31 2.529 -6.151 3.007 1.00 0.00 N ATOM 405 CA VAL A 31 2.090 -6.120 1.571 1.00 0.00 C ATOM 406 C VAL A 31 1.001 -7.177 1.410 1.00 0.00 C ATOM 407 O VAL A 31 -0.114 -6.903 1.012 1.00 0.00 O ATOM 408 CB VAL A 31 3.397 -6.395 0.798 1.00 0.00 C ATOM 409 CG1 VAL A 31 3.183 -6.937 -0.571 1.00 0.00 C ATOM 410 CG2 VAL A 31 4.173 -5.121 0.591 1.00 0.00 C ATOM 0 H VAL A 31 3.524 -5.950 3.107 1.00 0.00 H new ATOM 0 HA VAL A 31 1.647 -5.193 1.207 1.00 0.00 H new ATOM 0 HB VAL A 31 3.923 -7.125 1.414 1.00 0.00 H new ATOM 0 HG11 VAL A 31 4.147 -7.104 -1.051 1.00 0.00 H new ATOM 0 HG12 VAL A 31 2.640 -7.880 -0.508 1.00 0.00 H new ATOM 0 HG13 VAL A 31 2.604 -6.224 -1.158 1.00 0.00 H new ATOM 0 HG21 VAL A 31 5.090 -5.339 0.044 1.00 0.00 H new ATOM 0 HG22 VAL A 31 3.569 -4.416 0.020 1.00 0.00 H new ATOM 0 HG23 VAL A 31 4.422 -4.685 1.559 1.00 0.00 H new ATOM 420 N ARG A 32 1.373 -8.388 1.724 1.00 0.00 N ATOM 421 CA ARG A 32 0.416 -9.528 1.626 1.00 0.00 C ATOM 422 C ARG A 32 -0.829 -9.258 2.529 1.00 0.00 C ATOM 423 O ARG A 32 -1.944 -9.309 2.018 1.00 0.00 O ATOM 424 CB ARG A 32 1.242 -10.772 2.024 1.00 0.00 C ATOM 425 CG ARG A 32 1.223 -11.889 0.942 1.00 0.00 C ATOM 426 CD ARG A 32 -0.194 -12.271 0.490 1.00 0.00 C ATOM 427 NE ARG A 32 0.035 -13.497 -0.355 1.00 0.00 N ATOM 428 CZ ARG A 32 -0.604 -14.582 -0.127 1.00 0.00 C ATOM 429 NH1 ARG A 32 -0.527 -15.088 1.046 1.00 0.00 N ATOM 430 NH2 ARG A 32 -1.274 -15.087 -1.085 1.00 0.00 N ATOM 0 H ARG A 32 2.307 -8.639 2.047 1.00 0.00 H new ATOM 0 HA ARG A 32 -0.002 -9.674 0.630 1.00 0.00 H new ATOM 0 HB2 ARG A 32 2.273 -10.472 2.210 1.00 0.00 H new ATOM 0 HB3 ARG A 32 0.854 -11.174 2.960 1.00 0.00 H new ATOM 0 HG2 ARG A 32 1.796 -11.557 0.076 1.00 0.00 H new ATOM 0 HG3 ARG A 32 1.723 -12.774 1.335 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -0.844 -12.482 1.339 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -0.665 -11.470 -0.081 1.00 0.00 H new ATOM 0 HE ARG A 32 0.709 -13.462 -1.120 1.00 0.00 H new ATOM 0 HH11 ARG A 32 0.031 -14.627 1.765 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -1.024 -15.952 1.262 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -1.288 -14.627 -1.995 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -1.796 -15.951 -0.942 1.00 0.00 H new ATOM 444 N ASP A 33 -0.647 -8.995 3.818 1.00 0.00 N ATOM 445 CA ASP A 33 -1.846 -8.715 4.698 1.00 0.00 C ATOM 446 C ASP A 33 -2.699 -7.713 3.917 1.00 0.00 C ATOM 447 O ASP A 33 -3.821 -7.969 3.561 1.00 0.00 O ATOM 448 CB ASP A 33 -1.483 -8.026 6.044 1.00 0.00 C ATOM 449 CG ASP A 33 -1.881 -8.797 7.276 1.00 0.00 C ATOM 450 OD1 ASP A 33 -1.158 -9.717 7.584 1.00 0.00 O ATOM 451 OD2 ASP A 33 -2.890 -8.396 7.825 1.00 0.00 O ATOM 0 H ASP A 33 0.258 -8.963 4.287 1.00 0.00 H new ATOM 0 HA ASP A 33 -2.332 -9.662 4.933 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -0.407 -7.857 6.071 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -1.961 -7.047 6.075 1.00 0.00 H new ATOM 456 N LEU A 34 -2.092 -6.583 3.680 1.00 0.00 N ATOM 457 CA LEU A 34 -2.694 -5.443 2.938 1.00 0.00 C ATOM 458 C LEU A 34 -3.489 -6.025 1.778 1.00 0.00 C ATOM 459 O LEU A 34 -4.664 -5.757 1.673 1.00 0.00 O ATOM 460 CB LEU A 34 -1.513 -4.532 2.487 1.00 0.00 C ATOM 461 CG LEU A 34 -1.388 -3.129 3.182 1.00 0.00 C ATOM 462 CD1 LEU A 34 -1.780 -1.983 2.245 1.00 0.00 C ATOM 463 CD2 LEU A 34 -2.295 -2.938 4.382 1.00 0.00 C ATOM 0 H LEU A 34 -1.140 -6.397 3.994 1.00 0.00 H new ATOM 0 HA LEU A 34 -3.380 -4.838 3.531 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -0.583 -5.076 2.653 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -1.601 -4.371 1.413 1.00 0.00 H new ATOM 0 HG LEU A 34 -0.339 -3.108 3.477 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -1.678 -1.033 2.769 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -1.128 -1.988 1.372 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -2.814 -2.112 1.926 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -2.142 -1.942 4.799 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -3.335 -3.047 4.073 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -2.061 -3.688 5.138 1.00 0.00 H new ATOM 475 N HIS A 35 -2.885 -6.800 0.914 1.00 0.00 N ATOM 476 CA HIS A 35 -3.692 -7.371 -0.219 1.00 0.00 C ATOM 477 C HIS A 35 -4.973 -8.064 0.193 1.00 0.00 C ATOM 478 O HIS A 35 -5.985 -7.814 -0.439 1.00 0.00 O ATOM 479 CB HIS A 35 -2.794 -8.330 -0.984 1.00 0.00 C ATOM 480 CG HIS A 35 -3.505 -9.332 -1.932 1.00 0.00 C ATOM 481 ND1 HIS A 35 -2.907 -9.827 -2.953 1.00 0.00 N ATOM 482 CD2 HIS A 35 -4.763 -9.939 -1.990 1.00 0.00 C ATOM 483 CE1 HIS A 35 -3.680 -10.650 -3.587 1.00 0.00 C ATOM 484 NE2 HIS A 35 -4.848 -10.749 -3.021 1.00 0.00 N ATOM 0 H HIS A 35 -1.899 -7.059 0.936 1.00 0.00 H new ATOM 0 HA HIS A 35 -4.023 -6.535 -0.835 1.00 0.00 H new ATOM 0 HB2 HIS A 35 -2.090 -7.743 -1.573 1.00 0.00 H new ATOM 0 HB3 HIS A 35 -2.208 -8.899 -0.262 1.00 0.00 H new ATOM 0 HD1 HIS A 35 -1.951 -9.603 -3.229 1.00 0.00 H new ATOM 0 HD2 HIS A 35 -5.559 -9.765 -1.281 1.00 0.00 H new ATOM 0 HE1 HIS A 35 -3.391 -11.189 -4.477 1.00 0.00 H new ATOM 492 N ASN A 36 -4.925 -8.878 1.206 1.00 0.00 N ATOM 493 CA ASN A 36 -6.167 -9.600 1.628 1.00 0.00 C ATOM 494 C ASN A 36 -7.100 -8.793 2.518 1.00 0.00 C ATOM 495 O ASN A 36 -8.309 -8.903 2.455 1.00 0.00 O ATOM 496 CB ASN A 36 -5.669 -10.879 2.315 1.00 0.00 C ATOM 497 CG ASN A 36 -6.764 -11.765 2.898 1.00 0.00 C ATOM 498 OD1 ASN A 36 -6.476 -12.766 3.507 1.00 0.00 O ATOM 499 ND2 ASN A 36 -8.026 -11.515 2.776 1.00 0.00 N ATOM 0 H ASN A 36 -4.092 -9.078 1.759 1.00 0.00 H new ATOM 0 HA ASN A 36 -6.792 -9.808 0.760 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -5.097 -11.462 1.593 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -4.983 -10.600 3.115 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -8.713 -12.149 3.184 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -8.335 -10.684 2.272 1.00 0.00 H new ATOM 506 N GLN A 37 -6.506 -7.973 3.303 1.00 0.00 N ATOM 507 CA GLN A 37 -7.274 -7.146 4.237 1.00 0.00 C ATOM 508 C GLN A 37 -7.913 -5.979 3.523 1.00 0.00 C ATOM 509 O GLN A 37 -9.038 -5.635 3.826 1.00 0.00 O ATOM 510 CB GLN A 37 -6.296 -6.687 5.314 1.00 0.00 C ATOM 511 CG GLN A 37 -5.537 -7.920 5.879 1.00 0.00 C ATOM 512 CD GLN A 37 -6.304 -8.745 6.892 1.00 0.00 C ATOM 513 OE1 GLN A 37 -7.478 -9.029 6.812 1.00 0.00 O ATOM 514 NE2 GLN A 37 -5.588 -9.151 7.878 1.00 0.00 N ATOM 0 H GLN A 37 -5.496 -7.836 3.339 1.00 0.00 H new ATOM 0 HA GLN A 37 -8.094 -7.709 4.684 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -5.589 -5.970 4.897 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -6.832 -6.177 6.115 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -5.257 -8.566 5.047 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -4.612 -7.576 6.341 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -4.600 -8.901 7.928 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -6.007 -9.723 8.611 1.00 0.00 H new ATOM 523 N ALA A 38 -7.219 -5.414 2.577 1.00 0.00 N ATOM 524 CA ALA A 38 -7.782 -4.254 1.841 1.00 0.00 C ATOM 525 C ALA A 38 -8.836 -4.619 0.759 1.00 0.00 C ATOM 526 O ALA A 38 -9.133 -3.835 -0.126 1.00 0.00 O ATOM 527 CB ALA A 38 -6.562 -3.521 1.251 1.00 0.00 C ATOM 0 H ALA A 38 -6.287 -5.706 2.283 1.00 0.00 H new ATOM 0 HA ALA A 38 -8.356 -3.624 2.521 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -6.898 -2.649 0.690 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -5.904 -3.202 2.059 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -6.020 -4.193 0.586 1.00 0.00 H new ATOM 533 N GLN A 39 -9.366 -5.806 0.857 1.00 0.00 N ATOM 534 CA GLN A 39 -10.407 -6.270 -0.108 1.00 0.00 C ATOM 535 C GLN A 39 -11.526 -6.850 0.775 1.00 0.00 C ATOM 536 O GLN A 39 -11.956 -7.983 0.644 1.00 0.00 O ATOM 537 CB GLN A 39 -9.796 -7.332 -1.058 1.00 0.00 C ATOM 538 CG GLN A 39 -9.192 -8.532 -0.288 1.00 0.00 C ATOM 539 CD GLN A 39 -9.007 -9.700 -1.239 1.00 0.00 C ATOM 540 OE1 GLN A 39 -8.390 -9.615 -2.275 1.00 0.00 O ATOM 541 NE2 GLN A 39 -9.516 -10.849 -0.963 1.00 0.00 N ATOM 0 H GLN A 39 -9.119 -6.486 1.576 1.00 0.00 H new ATOM 0 HA GLN A 39 -10.791 -5.477 -0.749 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -10.566 -7.692 -1.740 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -9.021 -6.868 -1.668 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -8.235 -8.252 0.151 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -9.848 -8.818 0.534 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -10.047 -10.978 -0.102 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -9.389 -11.631 -1.606 1.00 0.00 H new ATOM 550 N SER A 40 -11.930 -5.978 1.666 1.00 0.00 N ATOM 551 CA SER A 40 -13.017 -6.259 2.675 1.00 0.00 C ATOM 552 C SER A 40 -14.238 -5.404 2.325 1.00 0.00 C ATOM 553 O SER A 40 -15.355 -5.868 2.220 1.00 0.00 O ATOM 554 CB SER A 40 -12.501 -5.894 4.084 1.00 0.00 C ATOM 555 OG SER A 40 -11.478 -6.858 4.309 1.00 0.00 O ATOM 0 H SER A 40 -11.537 -5.040 1.743 1.00 0.00 H new ATOM 0 HA SER A 40 -13.293 -7.313 2.658 1.00 0.00 H new ATOM 0 HB2 SER A 40 -12.112 -4.876 4.120 1.00 0.00 H new ATOM 0 HB3 SER A 40 -13.290 -5.961 4.833 1.00 0.00 H new ATOM 0 HG SER A 40 -10.603 -6.455 4.128 1.00 0.00 H new ATOM 561 N SER A 41 -13.968 -4.141 2.164 1.00 0.00 N ATOM 562 CA SER A 41 -15.015 -3.124 1.805 1.00 0.00 C ATOM 563 C SER A 41 -14.683 -2.491 0.449 1.00 0.00 C ATOM 564 O SER A 41 -15.469 -1.743 -0.097 1.00 0.00 O ATOM 565 CB SER A 41 -15.052 -2.032 2.876 1.00 0.00 C ATOM 566 OG SER A 41 -15.526 -2.700 4.040 1.00 0.00 O ATOM 0 H SER A 41 -13.032 -3.750 2.269 1.00 0.00 H new ATOM 0 HA SER A 41 -15.986 -3.616 1.746 1.00 0.00 H new ATOM 0 HB2 SER A 41 -14.064 -1.600 3.039 1.00 0.00 H new ATOM 0 HB3 SER A 41 -15.714 -1.215 2.589 1.00 0.00 H new ATOM 0 HG SER A 41 -15.578 -2.064 4.784 1.00 0.00 H new ATOM 572 N GLY A 42 -13.513 -2.823 -0.040 1.00 0.00 N ATOM 573 CA GLY A 42 -12.991 -2.305 -1.362 1.00 0.00 C ATOM 574 C GLY A 42 -11.708 -1.479 -1.162 1.00 0.00 C ATOM 575 O GLY A 42 -11.078 -1.063 -2.111 1.00 0.00 O ATOM 0 H GLY A 42 -12.869 -3.455 0.435 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -12.789 -3.142 -2.030 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -13.752 -1.690 -1.842 1.00 0.00 H new ATOM 579 N ASP A 43 -11.407 -1.303 0.098 1.00 0.00 N ATOM 580 CA ASP A 43 -10.246 -0.554 0.688 1.00 0.00 C ATOM 581 C ASP A 43 -9.149 -0.209 -0.315 1.00 0.00 C ATOM 582 O ASP A 43 -8.665 0.902 -0.278 1.00 0.00 O ATOM 583 CB ASP A 43 -9.702 -1.419 1.817 1.00 0.00 C ATOM 584 CG ASP A 43 -10.848 -2.085 2.562 1.00 0.00 C ATOM 585 OD1 ASP A 43 -11.310 -3.118 2.086 1.00 0.00 O ATOM 586 OD2 ASP A 43 -11.219 -1.514 3.563 1.00 0.00 O ATOM 0 H ASP A 43 -11.997 -1.700 0.829 1.00 0.00 H new ATOM 0 HA ASP A 43 -10.596 0.415 1.044 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -9.030 -2.177 1.414 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -9.117 -0.808 2.504 1.00 0.00 H new ATOM 591 N ARG A 44 -8.746 -1.120 -1.163 1.00 0.00 N ATOM 592 CA ARG A 44 -7.705 -0.834 -2.172 1.00 0.00 C ATOM 593 C ARG A 44 -7.954 0.580 -2.764 1.00 0.00 C ATOM 594 O ARG A 44 -7.058 1.396 -2.802 1.00 0.00 O ATOM 595 CB ARG A 44 -7.803 -1.912 -3.252 1.00 0.00 C ATOM 596 CG ARG A 44 -7.244 -3.300 -2.849 1.00 0.00 C ATOM 597 CD ARG A 44 -7.687 -4.328 -3.922 1.00 0.00 C ATOM 598 NE ARG A 44 -6.792 -5.543 -3.842 1.00 0.00 N ATOM 599 CZ ARG A 44 -7.245 -6.740 -3.962 1.00 0.00 C ATOM 600 NH1 ARG A 44 -7.894 -7.021 -5.020 1.00 0.00 N ATOM 601 NH2 ARG A 44 -7.036 -7.595 -3.046 1.00 0.00 N ATOM 0 H ARG A 44 -9.110 -2.072 -1.192 1.00 0.00 H new ATOM 0 HA ARG A 44 -6.706 -0.847 -1.737 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -8.849 -2.027 -3.534 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -7.270 -1.566 -4.138 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -6.157 -3.267 -2.780 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -7.617 -3.590 -1.867 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -8.726 -4.615 -3.761 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -7.629 -3.883 -4.915 1.00 0.00 H new ATOM 0 HE ARG A 44 -5.793 -5.408 -3.687 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -8.038 -6.307 -5.735 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -8.270 -7.960 -5.153 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -6.508 -7.332 -2.214 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -7.396 -8.544 -3.143 1.00 0.00 H new ATOM 615 N GLN A 45 -9.166 0.866 -3.188 1.00 0.00 N ATOM 616 CA GLN A 45 -9.453 2.231 -3.783 1.00 0.00 C ATOM 617 C GLN A 45 -9.179 3.410 -2.814 1.00 0.00 C ATOM 618 O GLN A 45 -9.019 4.535 -3.240 1.00 0.00 O ATOM 619 CB GLN A 45 -10.935 2.226 -4.278 1.00 0.00 C ATOM 620 CG GLN A 45 -11.145 1.003 -5.248 1.00 0.00 C ATOM 621 CD GLN A 45 -11.933 1.364 -6.511 1.00 0.00 C ATOM 622 OE1 GLN A 45 -11.510 0.917 -7.643 1.00 0.00 O flip ATOM 623 NE2 GLN A 45 -12.937 2.036 -6.511 1.00 0.00 N flip ATOM 0 H GLN A 45 -9.962 0.230 -3.152 1.00 0.00 H new ATOM 0 HA GLN A 45 -8.765 2.400 -4.611 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -11.616 2.155 -3.429 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -11.164 3.159 -4.793 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -10.172 0.604 -5.536 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -11.669 0.210 -4.715 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -13.302 2.407 -5.634 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -13.420 2.232 -7.388 1.00 0.00 H new ATOM 632 N THR A 46 -9.128 3.109 -1.550 1.00 0.00 N ATOM 633 CA THR A 46 -8.858 4.121 -0.471 1.00 0.00 C ATOM 634 C THR A 46 -7.331 4.145 -0.352 1.00 0.00 C ATOM 635 O THR A 46 -6.737 5.211 -0.355 1.00 0.00 O ATOM 636 CB THR A 46 -9.494 3.674 0.874 1.00 0.00 C ATOM 637 OG1 THR A 46 -10.855 4.064 0.766 1.00 0.00 O ATOM 638 CG2 THR A 46 -9.024 4.546 2.010 1.00 0.00 C ATOM 0 H THR A 46 -9.268 2.162 -1.197 1.00 0.00 H new ATOM 0 HA THR A 46 -9.280 5.098 -0.705 1.00 0.00 H new ATOM 0 HB THR A 46 -9.275 2.620 1.048 1.00 0.00 H new ATOM 0 HG1 THR A 46 -11.333 3.813 1.584 1.00 0.00 H new ATOM 0 HG21 THR A 46 -9.484 4.212 2.940 1.00 0.00 H new ATOM 0 HG22 THR A 46 -7.940 4.478 2.097 1.00 0.00 H new ATOM 0 HG23 THR A 46 -9.308 5.580 1.816 1.00 0.00 H new ATOM 646 N VAL A 47 -6.723 2.984 -0.236 1.00 0.00 N ATOM 647 CA VAL A 47 -5.218 2.915 -0.134 1.00 0.00 C ATOM 648 C VAL A 47 -4.684 3.849 -1.248 1.00 0.00 C ATOM 649 O VAL A 47 -3.751 4.598 -1.058 1.00 0.00 O ATOM 650 CB VAL A 47 -4.769 1.429 -0.340 1.00 0.00 C ATOM 651 CG1 VAL A 47 -4.114 1.157 -1.709 1.00 0.00 C ATOM 652 CG2 VAL A 47 -3.753 1.098 0.740 1.00 0.00 C ATOM 0 H VAL A 47 -7.198 2.082 -0.207 1.00 0.00 H new ATOM 0 HA VAL A 47 -4.833 3.232 0.835 1.00 0.00 H new ATOM 0 HB VAL A 47 -5.666 0.812 -0.289 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -3.831 0.106 -1.775 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -4.821 1.393 -2.504 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -3.226 1.779 -1.817 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -3.420 0.067 0.623 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -2.897 1.767 0.652 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -4.211 1.222 1.721 1.00 0.00 H new ATOM 662 N CYS A 48 -5.305 3.753 -2.400 1.00 0.00 N ATOM 663 CA CYS A 48 -4.898 4.615 -3.547 1.00 0.00 C ATOM 664 C CYS A 48 -4.764 6.112 -3.164 1.00 0.00 C ATOM 665 O CYS A 48 -3.876 6.811 -3.611 1.00 0.00 O ATOM 666 CB CYS A 48 -5.896 4.498 -4.610 1.00 0.00 C ATOM 667 SG CYS A 48 -5.431 5.625 -5.932 1.00 0.00 S ATOM 0 H CYS A 48 -6.076 3.114 -2.592 1.00 0.00 H new ATOM 0 HA CYS A 48 -3.918 4.268 -3.873 1.00 0.00 H new ATOM 0 HB2 CYS A 48 -5.941 3.474 -4.980 1.00 0.00 H new ATOM 0 HB3 CYS A 48 -6.888 4.744 -4.231 1.00 0.00 H new ATOM 672 N ASN A 49 -5.666 6.578 -2.339 1.00 0.00 N ATOM 673 CA ASN A 49 -5.618 8.003 -1.896 1.00 0.00 C ATOM 674 C ASN A 49 -4.400 8.064 -0.990 1.00 0.00 C ATOM 675 O ASN A 49 -3.625 8.994 -1.067 1.00 0.00 O ATOM 676 CB ASN A 49 -6.916 8.377 -1.117 1.00 0.00 C ATOM 677 CG ASN A 49 -7.911 8.948 -2.113 1.00 0.00 C ATOM 678 OD1 ASN A 49 -7.516 9.853 -2.947 1.00 0.00 O flip ATOM 679 ND2 ASN A 49 -9.062 8.592 -2.164 1.00 0.00 N flip ATOM 0 H ASN A 49 -6.435 6.031 -1.952 1.00 0.00 H new ATOM 0 HA ASN A 49 -5.553 8.705 -2.728 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -7.332 7.498 -0.624 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -6.696 9.106 -0.337 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -9.404 7.880 -1.519 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -9.693 9.003 -2.852 1.00 0.00 H new ATOM 686 N CYS A 50 -4.257 7.075 -0.154 1.00 0.00 N ATOM 687 CA CYS A 50 -3.062 7.085 0.747 1.00 0.00 C ATOM 688 C CYS A 50 -1.866 7.256 -0.237 1.00 0.00 C ATOM 689 O CYS A 50 -0.983 8.034 0.028 1.00 0.00 O ATOM 690 CB CYS A 50 -3.025 5.765 1.533 1.00 0.00 C ATOM 691 SG CYS A 50 -4.527 5.303 2.429 1.00 0.00 S ATOM 0 H CYS A 50 -4.891 6.282 -0.052 1.00 0.00 H new ATOM 0 HA CYS A 50 -3.055 7.873 1.500 1.00 0.00 H new ATOM 0 HB2 CYS A 50 -2.785 4.962 0.836 1.00 0.00 H new ATOM 0 HB3 CYS A 50 -2.206 5.820 2.250 1.00 0.00 H new ATOM 696 N LEU A 51 -1.844 6.539 -1.332 1.00 0.00 N ATOM 697 CA LEU A 51 -0.720 6.696 -2.331 1.00 0.00 C ATOM 698 C LEU A 51 -0.739 8.192 -2.786 1.00 0.00 C ATOM 699 O LEU A 51 0.229 8.901 -2.642 1.00 0.00 O ATOM 700 CB LEU A 51 -0.945 5.772 -3.559 1.00 0.00 C ATOM 701 CG LEU A 51 -1.092 4.270 -3.198 1.00 0.00 C ATOM 702 CD1 LEU A 51 -0.282 3.426 -4.180 1.00 0.00 C ATOM 703 CD2 LEU A 51 -0.632 3.911 -1.795 1.00 0.00 C ATOM 0 H LEU A 51 -2.551 5.849 -1.586 1.00 0.00 H new ATOM 0 HA LEU A 51 0.236 6.422 -1.884 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -1.841 6.098 -4.087 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -0.109 5.890 -4.248 1.00 0.00 H new ATOM 0 HG LEU A 51 -2.161 4.064 -3.253 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -0.386 2.371 -3.925 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -0.650 3.593 -5.192 1.00 0.00 H new ATOM 0 HD13 LEU A 51 0.769 3.711 -4.124 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -0.771 2.843 -1.629 1.00 0.00 H new ATOM 0 HD22 LEU A 51 0.423 4.162 -1.683 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -1.218 4.471 -1.066 1.00 0.00 H new ATOM 715 N LYS A 52 -1.811 8.671 -3.350 1.00 0.00 N ATOM 716 CA LYS A 52 -1.893 10.129 -3.788 1.00 0.00 C ATOM 717 C LYS A 52 -1.153 11.049 -2.743 1.00 0.00 C ATOM 718 O LYS A 52 -0.331 11.921 -2.993 1.00 0.00 O ATOM 719 CB LYS A 52 -3.399 10.414 -3.891 1.00 0.00 C ATOM 720 CG LYS A 52 -3.978 9.671 -5.120 1.00 0.00 C ATOM 721 CD LYS A 52 -3.478 10.294 -6.462 1.00 0.00 C ATOM 722 CE LYS A 52 -3.903 9.344 -7.575 1.00 0.00 C ATOM 723 NZ LYS A 52 -3.783 9.981 -8.914 1.00 0.00 N ATOM 0 H LYS A 52 -2.652 8.125 -3.536 1.00 0.00 H new ATOM 0 HA LYS A 52 -1.400 10.331 -4.739 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -3.905 10.088 -2.983 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -3.572 11.486 -3.985 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -3.691 8.620 -5.078 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -5.067 9.706 -5.086 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -3.909 11.284 -6.613 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -2.395 10.417 -6.451 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -3.287 8.445 -7.542 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -4.934 9.030 -7.412 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -4.728 10.078 -9.338 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -3.350 10.921 -8.814 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -3.187 9.390 -9.528 1.00 0.00 H new ATOM 737 N GLY A 53 -1.531 10.747 -1.533 1.00 0.00 N ATOM 738 CA GLY A 53 -0.979 11.451 -0.347 1.00 0.00 C ATOM 739 C GLY A 53 0.517 11.128 -0.327 1.00 0.00 C ATOM 740 O GLY A 53 1.321 12.002 -0.167 1.00 0.00 O ATOM 0 H GLY A 53 -2.216 10.024 -1.314 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -1.146 12.526 -0.418 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -1.464 11.113 0.569 1.00 0.00 H new ATOM 744 N ILE A 54 0.904 9.892 -0.469 1.00 0.00 N ATOM 745 CA ILE A 54 2.359 9.489 -0.479 1.00 0.00 C ATOM 746 C ILE A 54 3.148 10.426 -1.424 1.00 0.00 C ATOM 747 O ILE A 54 4.007 11.184 -1.008 1.00 0.00 O ATOM 748 CB ILE A 54 2.502 7.950 -0.971 1.00 0.00 C ATOM 749 CG1 ILE A 54 3.718 7.324 -0.230 1.00 0.00 C ATOM 750 CG2 ILE A 54 2.750 7.696 -2.531 1.00 0.00 C ATOM 751 CD1 ILE A 54 4.146 5.964 -0.877 1.00 0.00 C ATOM 0 H ILE A 54 0.258 9.111 -0.583 1.00 0.00 H new ATOM 0 HA ILE A 54 2.765 9.574 0.529 1.00 0.00 H new ATOM 0 HB ILE A 54 1.532 7.507 -0.748 1.00 0.00 H new ATOM 0 HG12 ILE A 54 4.557 8.019 -0.254 1.00 0.00 H new ATOM 0 HG13 ILE A 54 3.465 7.166 0.818 1.00 0.00 H new ATOM 0 HG21 ILE A 54 2.826 6.625 -2.718 1.00 0.00 H new ATOM 0 HG22 ILE A 54 1.918 8.106 -3.103 1.00 0.00 H new ATOM 0 HG23 ILE A 54 3.676 8.184 -2.836 1.00 0.00 H new ATOM 0 HD11 ILE A 54 4.998 5.555 -0.334 1.00 0.00 H new ATOM 0 HD12 ILE A 54 3.314 5.261 -0.830 1.00 0.00 H new ATOM 0 HD13 ILE A 54 4.424 6.128 -1.918 1.00 0.00 H new ATOM 763 N ALA A 55 2.780 10.350 -2.678 1.00 0.00 N ATOM 764 CA ALA A 55 3.423 11.158 -3.754 1.00 0.00 C ATOM 765 C ALA A 55 3.604 12.603 -3.293 1.00 0.00 C ATOM 766 O ALA A 55 4.674 13.160 -3.444 1.00 0.00 O ATOM 767 CB ALA A 55 2.526 11.021 -4.997 1.00 0.00 C ATOM 0 H ALA A 55 2.034 9.739 -3.009 1.00 0.00 H new ATOM 0 HA ALA A 55 4.426 10.805 -3.995 1.00 0.00 H new ATOM 0 HB1 ALA A 55 2.953 11.596 -5.819 1.00 0.00 H new ATOM 0 HB2 ALA A 55 2.460 9.972 -5.284 1.00 0.00 H new ATOM 0 HB3 ALA A 55 1.529 11.398 -4.770 1.00 0.00 H new ATOM 773 N ARG A 56 2.529 13.120 -2.753 1.00 0.00 N ATOM 774 CA ARG A 56 2.449 14.530 -2.209 1.00 0.00 C ATOM 775 C ARG A 56 3.798 15.238 -2.005 1.00 0.00 C ATOM 776 O ARG A 56 4.057 16.276 -2.586 1.00 0.00 O ATOM 777 CB ARG A 56 1.727 14.455 -0.884 1.00 0.00 C ATOM 778 CG ARG A 56 1.458 15.776 -0.207 1.00 0.00 C ATOM 779 CD ARG A 56 0.395 16.463 -0.971 1.00 0.00 C ATOM 780 NE ARG A 56 -0.106 17.473 -0.017 1.00 0.00 N ATOM 781 CZ ARG A 56 -0.211 18.689 -0.292 1.00 0.00 C ATOM 782 NH1 ARG A 56 0.830 19.408 -0.267 1.00 0.00 N ATOM 783 NH2 ARG A 56 -1.383 19.047 -0.569 1.00 0.00 N ATOM 0 H ARG A 56 1.656 12.602 -2.659 1.00 0.00 H new ATOM 0 HA ARG A 56 1.929 15.129 -2.957 1.00 0.00 H new ATOM 0 HB2 ARG A 56 0.775 13.947 -1.039 1.00 0.00 H new ATOM 0 HB3 ARG A 56 2.313 13.834 -0.207 1.00 0.00 H new ATOM 0 HG2 ARG A 56 1.147 15.620 0.826 1.00 0.00 H new ATOM 0 HG3 ARG A 56 2.363 16.383 -0.179 1.00 0.00 H new ATOM 0 HD2 ARG A 56 0.785 16.924 -1.878 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -0.391 15.773 -1.277 1.00 0.00 H new ATOM 0 HE ARG A 56 -0.381 17.163 0.915 1.00 0.00 H new ATOM 0 HH11 ARG A 56 1.730 18.994 -0.026 1.00 0.00 H new ATOM 0 HH12 ARG A 56 0.769 20.402 -0.488 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -2.141 18.365 -0.555 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -1.576 20.020 -0.808 1.00 0.00 H new ATOM 797 N GLY A 57 4.611 14.625 -1.177 1.00 0.00 N ATOM 798 CA GLY A 57 5.979 15.166 -0.847 1.00 0.00 C ATOM 799 C GLY A 57 7.102 14.158 -1.092 1.00 0.00 C ATOM 800 O GLY A 57 8.204 14.513 -1.455 1.00 0.00 O ATOM 0 H GLY A 57 4.382 13.751 -0.703 1.00 0.00 H new ATOM 0 HA2 GLY A 57 6.164 16.058 -1.446 1.00 0.00 H new ATOM 0 HA3 GLY A 57 5.998 15.474 0.198 1.00 0.00 H new ATOM 804 N ILE A 58 6.757 12.916 -0.880 1.00 0.00 N ATOM 805 CA ILE A 58 7.668 11.748 -1.037 1.00 0.00 C ATOM 806 C ILE A 58 9.164 11.771 -1.354 1.00 0.00 C ATOM 807 O ILE A 58 9.841 11.205 -0.521 1.00 0.00 O ATOM 808 CB ILE A 58 7.002 10.749 -2.093 1.00 0.00 C ATOM 809 CG1 ILE A 58 6.484 9.534 -1.287 1.00 0.00 C ATOM 810 CG2 ILE A 58 8.001 10.240 -3.196 1.00 0.00 C ATOM 811 CD1 ILE A 58 6.494 8.227 -2.103 1.00 0.00 C ATOM 0 H ILE A 58 5.817 12.652 -0.585 1.00 0.00 H new ATOM 0 HA ILE A 58 7.737 11.505 0.023 1.00 0.00 H new ATOM 0 HB ILE A 58 6.212 11.282 -2.622 1.00 0.00 H new ATOM 0 HG12 ILE A 58 7.099 9.406 -0.397 1.00 0.00 H new ATOM 0 HG13 ILE A 58 5.469 9.736 -0.946 1.00 0.00 H new ATOM 0 HG21 ILE A 58 7.479 9.567 -3.877 1.00 0.00 H new ATOM 0 HG22 ILE A 58 8.390 11.091 -3.755 1.00 0.00 H new ATOM 0 HG23 ILE A 58 8.826 9.709 -2.722 1.00 0.00 H new ATOM 0 HD11 ILE A 58 6.120 7.410 -1.486 1.00 0.00 H new ATOM 0 HD12 ILE A 58 5.856 8.341 -2.980 1.00 0.00 H new ATOM 0 HD13 ILE A 58 7.512 8.005 -2.421 1.00 0.00 H new ATOM 823 N HIS A 59 9.612 12.366 -2.442 1.00 0.00 N ATOM 824 CA HIS A 59 11.072 12.424 -2.871 1.00 0.00 C ATOM 825 C HIS A 59 11.100 12.073 -4.414 1.00 0.00 C ATOM 826 O HIS A 59 10.076 12.152 -5.073 1.00 0.00 O ATOM 827 CB HIS A 59 11.897 11.353 -2.068 1.00 0.00 C ATOM 828 CG HIS A 59 13.322 11.269 -2.569 1.00 0.00 C ATOM 829 ND1 HIS A 59 13.884 10.175 -2.941 1.00 0.00 N ATOM 830 CD2 HIS A 59 14.282 12.241 -2.770 1.00 0.00 C ATOM 831 CE1 HIS A 59 15.089 10.420 -3.345 1.00 0.00 C ATOM 832 NE2 HIS A 59 15.375 11.694 -3.255 1.00 0.00 N ATOM 0 H HIS A 59 8.990 12.845 -3.094 1.00 0.00 H new ATOM 0 HA HIS A 59 11.506 13.405 -2.681 1.00 0.00 H new ATOM 0 HB2 HIS A 59 11.896 11.609 -1.009 1.00 0.00 H new ATOM 0 HB3 HIS A 59 11.419 10.378 -2.160 1.00 0.00 H new ATOM 0 HD1 HIS A 59 13.447 9.254 -2.921 1.00 0.00 H new ATOM 0 HD2 HIS A 59 14.154 13.293 -2.560 1.00 0.00 H new ATOM 0 HE1 HIS A 59 15.772 9.668 -3.710 1.00 0.00 H new ATOM 840 N ASN A 60 12.227 11.706 -4.986 1.00 0.00 N ATOM 841 CA ASN A 60 12.281 11.355 -6.443 1.00 0.00 C ATOM 842 C ASN A 60 11.763 9.888 -6.608 1.00 0.00 C ATOM 843 O ASN A 60 12.486 8.971 -6.939 1.00 0.00 O ATOM 844 CB ASN A 60 13.758 11.510 -6.893 1.00 0.00 C ATOM 845 CG ASN A 60 14.245 12.934 -6.646 1.00 0.00 C ATOM 846 OD1 ASN A 60 14.291 13.414 -5.538 1.00 0.00 O ATOM 847 ND2 ASN A 60 14.626 13.680 -7.629 1.00 0.00 N ATOM 0 H ASN A 60 13.120 11.635 -4.498 1.00 0.00 H new ATOM 0 HA ASN A 60 11.656 12.001 -7.059 1.00 0.00 H new ATOM 0 HB2 ASN A 60 14.386 10.805 -6.348 1.00 0.00 H new ATOM 0 HB3 ASN A 60 13.849 11.267 -7.952 1.00 0.00 H new ATOM 0 HD21 ASN A 60 14.948 14.631 -7.452 1.00 0.00 H new ATOM 0 HD22 ASN A 60 14.605 13.318 -8.582 1.00 0.00 H new ATOM 854 N LEU A 61 10.490 9.755 -6.331 1.00 0.00 N ATOM 855 CA LEU A 61 9.738 8.450 -6.411 1.00 0.00 C ATOM 856 C LEU A 61 10.337 7.432 -7.399 1.00 0.00 C ATOM 857 O LEU A 61 10.525 7.742 -8.562 1.00 0.00 O ATOM 858 CB LEU A 61 8.284 8.772 -6.799 1.00 0.00 C ATOM 859 CG LEU A 61 7.411 7.495 -6.859 1.00 0.00 C ATOM 860 CD1 LEU A 61 7.425 6.765 -5.504 1.00 0.00 C ATOM 861 CD2 LEU A 61 5.977 7.930 -7.160 1.00 0.00 C ATOM 0 H LEU A 61 9.906 10.538 -6.036 1.00 0.00 H new ATOM 0 HA LEU A 61 9.804 7.970 -5.435 1.00 0.00 H new ATOM 0 HB2 LEU A 61 7.860 9.469 -6.076 1.00 0.00 H new ATOM 0 HB3 LEU A 61 8.268 9.270 -7.769 1.00 0.00 H new ATOM 0 HG LEU A 61 7.798 6.822 -7.624 1.00 0.00 H new ATOM 0 HD11 LEU A 61 6.806 5.870 -5.566 1.00 0.00 H new ATOM 0 HD12 LEU A 61 8.447 6.482 -5.254 1.00 0.00 H new ATOM 0 HD13 LEU A 61 7.032 7.425 -4.731 1.00 0.00 H new ATOM 0 HD21 LEU A 61 5.333 7.052 -7.209 1.00 0.00 H new ATOM 0 HD22 LEU A 61 5.625 8.594 -6.371 1.00 0.00 H new ATOM 0 HD23 LEU A 61 5.949 8.455 -8.115 1.00 0.00 H new ATOM 873 N ASN A 62 10.596 6.240 -6.940 1.00 0.00 N ATOM 874 CA ASN A 62 11.185 5.220 -7.830 1.00 0.00 C ATOM 875 C ASN A 62 10.106 4.200 -8.180 1.00 0.00 C ATOM 876 O ASN A 62 10.270 3.031 -7.915 1.00 0.00 O ATOM 877 CB ASN A 62 12.374 4.684 -7.003 1.00 0.00 C ATOM 878 CG ASN A 62 13.312 3.831 -7.811 1.00 0.00 C ATOM 879 OD1 ASN A 62 12.921 3.235 -8.887 1.00 0.00 O flip ATOM 880 ND2 ASN A 62 14.460 3.685 -7.464 1.00 0.00 N flip ATOM 0 H ASN A 62 10.422 5.934 -5.983 1.00 0.00 H new ATOM 0 HA ASN A 62 11.544 5.566 -8.799 1.00 0.00 H new ATOM 0 HB2 ASN A 62 12.926 5.525 -6.583 1.00 0.00 H new ATOM 0 HB3 ASN A 62 11.993 4.102 -6.164 1.00 0.00 H new ATOM 0 HD21 ASN A 62 14.799 4.143 -6.618 1.00 0.00 H new ATOM 0 HD22 ASN A 62 15.090 3.104 -8.017 1.00 0.00 H new ATOM 887 N LEU A 63 9.021 4.641 -8.764 1.00 0.00 N ATOM 888 CA LEU A 63 7.899 3.698 -9.142 1.00 0.00 C ATOM 889 C LEU A 63 8.381 2.297 -9.622 1.00 0.00 C ATOM 890 O LEU A 63 7.946 1.265 -9.141 1.00 0.00 O ATOM 891 CB LEU A 63 7.064 4.429 -10.228 1.00 0.00 C ATOM 892 CG LEU A 63 5.556 4.048 -10.205 1.00 0.00 C ATOM 893 CD1 LEU A 63 5.328 2.563 -10.509 1.00 0.00 C ATOM 894 CD2 LEU A 63 4.943 4.368 -8.819 1.00 0.00 C ATOM 0 H LEU A 63 8.854 5.619 -9.001 1.00 0.00 H new ATOM 0 HA LEU A 63 7.301 3.472 -8.259 1.00 0.00 H new ATOM 0 HB2 LEU A 63 7.162 5.506 -10.088 1.00 0.00 H new ATOM 0 HB3 LEU A 63 7.475 4.197 -11.210 1.00 0.00 H new ATOM 0 HG LEU A 63 5.071 4.638 -10.983 1.00 0.00 H new ATOM 0 HD11 LEU A 63 4.260 2.346 -10.481 1.00 0.00 H new ATOM 0 HD12 LEU A 63 5.720 2.330 -11.499 1.00 0.00 H new ATOM 0 HD13 LEU A 63 5.841 1.956 -9.763 1.00 0.00 H new ATOM 0 HD21 LEU A 63 3.887 4.097 -8.817 1.00 0.00 H new ATOM 0 HD22 LEU A 63 5.466 3.799 -8.050 1.00 0.00 H new ATOM 0 HD23 LEU A 63 5.044 5.434 -8.614 1.00 0.00 H new ATOM 906 N ASN A 64 9.274 2.306 -10.574 1.00 0.00 N ATOM 907 CA ASN A 64 9.847 1.030 -11.143 1.00 0.00 C ATOM 908 C ASN A 64 10.197 0.015 -10.028 1.00 0.00 C ATOM 909 O ASN A 64 10.135 -1.178 -10.219 1.00 0.00 O ATOM 910 CB ASN A 64 11.112 1.390 -11.958 1.00 0.00 C ATOM 911 CG ASN A 64 10.849 2.662 -12.737 1.00 0.00 C ATOM 912 OD1 ASN A 64 10.800 3.738 -12.186 1.00 0.00 O ATOM 913 ND2 ASN A 64 10.660 2.628 -14.008 1.00 0.00 N ATOM 0 H ASN A 64 9.644 3.157 -10.997 1.00 0.00 H new ATOM 0 HA ASN A 64 9.102 0.557 -11.783 1.00 0.00 H new ATOM 0 HB2 ASN A 64 11.964 1.526 -11.291 1.00 0.00 H new ATOM 0 HB3 ASN A 64 11.366 0.577 -12.638 1.00 0.00 H new ATOM 0 HD21 ASN A 64 10.476 3.491 -14.519 1.00 0.00 H new ATOM 0 HD22 ASN A 64 10.694 1.738 -14.505 1.00 0.00 H new ATOM 920 N ASN A 65 10.557 0.530 -8.884 1.00 0.00 N ATOM 921 CA ASN A 65 10.929 -0.293 -7.693 1.00 0.00 C ATOM 922 C ASN A 65 9.625 -0.848 -7.134 1.00 0.00 C ATOM 923 O ASN A 65 9.485 -2.042 -6.939 1.00 0.00 O ATOM 924 CB ASN A 65 11.660 0.688 -6.752 1.00 0.00 C ATOM 925 CG ASN A 65 12.394 0.037 -5.612 1.00 0.00 C ATOM 926 OD1 ASN A 65 13.087 -0.942 -5.790 1.00 0.00 O ATOM 927 ND2 ASN A 65 12.286 0.541 -4.430 1.00 0.00 N ATOM 0 H ASN A 65 10.611 1.535 -8.719 1.00 0.00 H new ATOM 0 HA ASN A 65 11.583 -1.145 -7.879 1.00 0.00 H new ATOM 0 HB2 ASN A 65 12.371 1.271 -7.338 1.00 0.00 H new ATOM 0 HB3 ASN A 65 10.932 1.389 -6.344 1.00 0.00 H new ATOM 0 HD21 ASN A 65 12.783 0.116 -3.647 1.00 0.00 H new ATOM 0 HD22 ASN A 65 11.704 1.364 -4.278 1.00 0.00 H new ATOM 934 N ALA A 66 8.694 0.030 -6.902 1.00 0.00 N ATOM 935 CA ALA A 66 7.370 -0.399 -6.356 1.00 0.00 C ATOM 936 C ALA A 66 6.816 -1.535 -7.262 1.00 0.00 C ATOM 937 O ALA A 66 6.288 -2.534 -6.809 1.00 0.00 O ATOM 938 CB ALA A 66 6.446 0.801 -6.373 1.00 0.00 C ATOM 0 H ALA A 66 8.789 1.032 -7.066 1.00 0.00 H new ATOM 0 HA ALA A 66 7.456 -0.770 -5.335 1.00 0.00 H new ATOM 0 HB1 ALA A 66 5.471 0.515 -5.979 1.00 0.00 H new ATOM 0 HB2 ALA A 66 6.868 1.594 -5.756 1.00 0.00 H new ATOM 0 HB3 ALA A 66 6.333 1.159 -7.396 1.00 0.00 H new ATOM 944 N ALA A 67 6.975 -1.304 -8.541 1.00 0.00 N ATOM 945 CA ALA A 67 6.533 -2.252 -9.614 1.00 0.00 C ATOM 946 C ALA A 67 6.998 -3.700 -9.379 1.00 0.00 C ATOM 947 O ALA A 67 6.405 -4.630 -9.884 1.00 0.00 O ATOM 948 CB ALA A 67 7.063 -1.723 -10.970 1.00 0.00 C ATOM 0 H ALA A 67 7.414 -0.457 -8.902 1.00 0.00 H new ATOM 0 HA ALA A 67 5.444 -2.291 -9.606 1.00 0.00 H new ATOM 0 HB1 ALA A 67 6.754 -2.397 -11.769 1.00 0.00 H new ATOM 0 HB2 ALA A 67 6.657 -0.729 -11.156 1.00 0.00 H new ATOM 0 HB3 ALA A 67 8.151 -1.671 -10.940 1.00 0.00 H new ATOM 954 N SER A 68 8.043 -3.838 -8.614 1.00 0.00 N ATOM 955 CA SER A 68 8.620 -5.176 -8.284 1.00 0.00 C ATOM 956 C SER A 68 8.117 -5.702 -6.940 1.00 0.00 C ATOM 957 O SER A 68 8.190 -6.903 -6.726 1.00 0.00 O ATOM 958 CB SER A 68 10.151 -5.059 -8.239 1.00 0.00 C ATOM 959 OG SER A 68 10.630 -6.312 -7.735 1.00 0.00 O ATOM 0 H SER A 68 8.539 -3.054 -8.189 1.00 0.00 H new ATOM 0 HA SER A 68 8.305 -5.879 -9.055 1.00 0.00 H new ATOM 0 HB2 SER A 68 10.556 -4.857 -9.231 1.00 0.00 H new ATOM 0 HB3 SER A 68 10.460 -4.236 -7.595 1.00 0.00 H new ATOM 0 HG SER A 68 9.893 -6.797 -7.309 1.00 0.00 H new ATOM 965 N ILE A 69 7.622 -4.833 -6.089 1.00 0.00 N ATOM 966 CA ILE A 69 7.130 -5.332 -4.757 1.00 0.00 C ATOM 967 C ILE A 69 6.233 -6.576 -4.960 1.00 0.00 C ATOM 968 O ILE A 69 6.530 -7.605 -4.387 1.00 0.00 O ATOM 969 CB ILE A 69 6.354 -4.163 -4.006 1.00 0.00 C ATOM 970 CG1 ILE A 69 7.325 -3.181 -3.260 1.00 0.00 C ATOM 971 CG2 ILE A 69 5.385 -4.792 -2.954 1.00 0.00 C ATOM 972 CD1 ILE A 69 6.598 -1.876 -2.972 1.00 0.00 C ATOM 0 H ILE A 69 7.537 -3.829 -6.248 1.00 0.00 H new ATOM 0 HA ILE A 69 7.975 -5.631 -4.136 1.00 0.00 H new ATOM 0 HB ILE A 69 5.812 -3.593 -4.760 1.00 0.00 H new ATOM 0 HG12 ILE A 69 7.671 -3.631 -2.329 1.00 0.00 H new ATOM 0 HG13 ILE A 69 8.208 -2.991 -3.870 1.00 0.00 H new ATOM 0 HG21 ILE A 69 4.848 -3.999 -2.434 1.00 0.00 H new ATOM 0 HG22 ILE A 69 4.671 -5.442 -3.460 1.00 0.00 H new ATOM 0 HG23 ILE A 69 5.959 -5.375 -2.233 1.00 0.00 H new ATOM 0 HD11 ILE A 69 7.270 -1.192 -2.454 1.00 0.00 H new ATOM 0 HD12 ILE A 69 6.274 -1.425 -3.910 1.00 0.00 H new ATOM 0 HD13 ILE A 69 5.728 -2.075 -2.345 1.00 0.00 H new ATOM 984 N PRO A 70 5.188 -6.509 -5.758 1.00 0.00 N ATOM 985 CA PRO A 70 4.187 -7.608 -5.791 1.00 0.00 C ATOM 986 C PRO A 70 4.792 -8.975 -6.030 1.00 0.00 C ATOM 987 O PRO A 70 4.282 -9.952 -5.512 1.00 0.00 O ATOM 988 CB PRO A 70 3.212 -7.204 -6.881 1.00 0.00 C ATOM 989 CG PRO A 70 3.325 -5.677 -6.871 1.00 0.00 C ATOM 990 CD PRO A 70 4.827 -5.415 -6.709 1.00 0.00 C ATOM 0 HA PRO A 70 3.699 -7.724 -4.823 1.00 0.00 H new ATOM 0 HB2 PRO A 70 3.486 -7.626 -7.848 1.00 0.00 H new ATOM 0 HB3 PRO A 70 2.198 -7.538 -6.663 1.00 0.00 H new ATOM 0 HG2 PRO A 70 2.942 -5.243 -7.794 1.00 0.00 H new ATOM 0 HG3 PRO A 70 2.753 -5.240 -6.052 1.00 0.00 H new ATOM 0 HD2 PRO A 70 5.366 -5.491 -7.653 1.00 0.00 H new ATOM 0 HD3 PRO A 70 5.035 -4.425 -6.302 1.00 0.00 H new ATOM 998 N SER A 71 5.853 -8.978 -6.793 1.00 0.00 N ATOM 999 CA SER A 71 6.547 -10.258 -7.114 1.00 0.00 C ATOM 1000 C SER A 71 7.371 -10.641 -5.887 1.00 0.00 C ATOM 1001 O SER A 71 7.138 -11.658 -5.261 1.00 0.00 O ATOM 1002 CB SER A 71 7.430 -10.009 -8.356 1.00 0.00 C ATOM 1003 OG SER A 71 8.464 -9.121 -7.944 1.00 0.00 O ATOM 0 H SER A 71 6.270 -8.145 -7.209 1.00 0.00 H new ATOM 0 HA SER A 71 5.861 -11.074 -7.342 1.00 0.00 H new ATOM 0 HB2 SER A 71 7.847 -10.944 -8.729 1.00 0.00 H new ATOM 0 HB3 SER A 71 6.846 -9.575 -9.167 1.00 0.00 H new ATOM 0 HG SER A 71 8.095 -8.221 -7.828 1.00 0.00 H new ATOM 1009 N LYS A 72 8.303 -9.781 -5.581 1.00 0.00 N ATOM 1010 CA LYS A 72 9.226 -9.947 -4.432 1.00 0.00 C ATOM 1011 C LYS A 72 8.495 -10.515 -3.221 1.00 0.00 C ATOM 1012 O LYS A 72 8.926 -11.453 -2.580 1.00 0.00 O ATOM 1013 CB LYS A 72 9.789 -8.568 -4.151 1.00 0.00 C ATOM 1014 CG LYS A 72 11.325 -8.620 -4.101 1.00 0.00 C ATOM 1015 CD LYS A 72 11.767 -7.259 -3.546 1.00 0.00 C ATOM 1016 CE LYS A 72 11.460 -6.093 -4.482 1.00 0.00 C ATOM 1017 NZ LYS A 72 12.389 -6.121 -5.646 1.00 0.00 N ATOM 0 H LYS A 72 8.466 -8.926 -6.113 1.00 0.00 H new ATOM 0 HA LYS A 72 10.023 -10.656 -4.656 1.00 0.00 H new ATOM 0 HB2 LYS A 72 9.467 -7.871 -4.925 1.00 0.00 H new ATOM 0 HB3 LYS A 72 9.400 -8.195 -3.204 1.00 0.00 H new ATOM 0 HG2 LYS A 72 11.669 -9.434 -3.463 1.00 0.00 H new ATOM 0 HG3 LYS A 72 11.744 -8.794 -5.092 1.00 0.00 H new ATOM 0 HD2 LYS A 72 11.273 -7.087 -2.590 1.00 0.00 H new ATOM 0 HD3 LYS A 72 12.839 -7.286 -3.351 1.00 0.00 H new ATOM 0 HE2 LYS A 72 10.428 -6.154 -4.827 1.00 0.00 H new ATOM 0 HE3 LYS A 72 11.562 -5.149 -3.947 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 12.828 -5.185 -5.763 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 13.130 -6.833 -5.482 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 11.859 -6.365 -6.507 1.00 0.00 H new ATOM 1031 N CYS A 73 7.383 -9.875 -2.999 1.00 0.00 N ATOM 1032 CA CYS A 73 6.486 -10.211 -1.881 1.00 0.00 C ATOM 1033 C CYS A 73 5.266 -11.100 -2.147 1.00 0.00 C ATOM 1034 O CYS A 73 4.308 -10.938 -1.421 1.00 0.00 O ATOM 1035 CB CYS A 73 6.075 -8.860 -1.319 1.00 0.00 C ATOM 1036 SG CYS A 73 7.417 -7.834 -0.671 1.00 0.00 S ATOM 0 H CYS A 73 7.054 -9.102 -3.577 1.00 0.00 H new ATOM 0 HA CYS A 73 7.038 -10.860 -1.201 1.00 0.00 H new ATOM 0 HB2 CYS A 73 5.563 -8.302 -2.103 1.00 0.00 H new ATOM 0 HB3 CYS A 73 5.351 -9.025 -0.521 1.00 0.00 H new ATOM 1041 N ASN A 74 5.293 -11.972 -3.130 1.00 0.00 N ATOM 1042 CA ASN A 74 4.150 -12.907 -3.469 1.00 0.00 C ATOM 1043 C ASN A 74 2.800 -12.487 -2.868 1.00 0.00 C ATOM 1044 O ASN A 74 2.172 -13.137 -2.054 1.00 0.00 O ATOM 1045 CB ASN A 74 4.544 -14.350 -2.991 1.00 0.00 C ATOM 1046 CG ASN A 74 3.368 -15.316 -3.176 1.00 0.00 C ATOM 1047 OD1 ASN A 74 2.584 -15.195 -4.089 1.00 0.00 O ATOM 1048 ND2 ASN A 74 3.203 -16.291 -2.343 1.00 0.00 N ATOM 0 H ASN A 74 6.099 -12.083 -3.745 1.00 0.00 H new ATOM 0 HA ASN A 74 4.001 -12.874 -4.548 1.00 0.00 H new ATOM 0 HB2 ASN A 74 5.406 -14.704 -3.557 1.00 0.00 H new ATOM 0 HB3 ASN A 74 4.840 -14.324 -1.942 1.00 0.00 H new ATOM 0 HD21 ASN A 74 2.424 -16.938 -2.464 1.00 0.00 H new ATOM 0 HD22 ASN A 74 3.852 -16.413 -1.565 1.00 0.00 H new ATOM 1055 N VAL A 75 2.383 -11.348 -3.312 1.00 0.00 N ATOM 1056 CA VAL A 75 1.080 -10.767 -2.841 1.00 0.00 C ATOM 1057 C VAL A 75 0.152 -10.715 -4.042 1.00 0.00 C ATOM 1058 O VAL A 75 -0.584 -9.775 -4.206 1.00 0.00 O ATOM 1059 CB VAL A 75 1.428 -9.351 -2.198 1.00 0.00 C ATOM 1060 CG1 VAL A 75 2.403 -8.654 -3.092 1.00 0.00 C ATOM 1061 CG2 VAL A 75 0.286 -8.341 -1.960 1.00 0.00 C ATOM 0 H VAL A 75 2.886 -10.776 -3.991 1.00 0.00 H new ATOM 0 HA VAL A 75 0.564 -11.350 -2.079 1.00 0.00 H new ATOM 0 HB VAL A 75 1.787 -9.623 -1.205 1.00 0.00 H new ATOM 0 HG11 VAL A 75 2.654 -7.681 -2.669 1.00 0.00 H new ATOM 0 HG12 VAL A 75 3.308 -9.255 -3.182 1.00 0.00 H new ATOM 0 HG13 VAL A 75 1.959 -8.517 -4.078 1.00 0.00 H new ATOM 0 HG21 VAL A 75 0.691 -7.431 -1.518 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -0.192 -8.101 -2.910 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -0.450 -8.776 -1.284 1.00 0.00 H new ATOM 1071 N ASN A 76 0.230 -11.767 -4.818 1.00 0.00 N ATOM 1072 CA ASN A 76 -0.552 -12.019 -6.081 1.00 0.00 C ATOM 1073 C ASN A 76 -1.759 -11.102 -6.447 1.00 0.00 C ATOM 1074 O ASN A 76 -2.857 -11.546 -6.741 1.00 0.00 O ATOM 1075 CB ASN A 76 -0.989 -13.503 -6.005 1.00 0.00 C ATOM 1076 CG ASN A 76 -1.950 -13.747 -4.850 1.00 0.00 C ATOM 1077 OD1 ASN A 76 -1.608 -14.064 -3.727 1.00 0.00 O ATOM 1078 ND2 ASN A 76 -3.204 -13.605 -5.082 1.00 0.00 N ATOM 0 H ASN A 76 0.866 -12.535 -4.605 1.00 0.00 H new ATOM 0 HA ASN A 76 0.122 -11.765 -6.899 1.00 0.00 H new ATOM 0 HB2 ASN A 76 -1.465 -13.791 -6.942 1.00 0.00 H new ATOM 0 HB3 ASN A 76 -0.110 -14.136 -5.887 1.00 0.00 H new ATOM 0 HD21 ASN A 76 -3.881 -13.757 -4.335 1.00 0.00 H new ATOM 0 HD22 ASN A 76 -3.523 -13.340 -6.014 1.00 0.00 H new ATOM 1085 N VAL A 77 -1.488 -9.829 -6.407 1.00 0.00 N ATOM 1086 CA VAL A 77 -2.511 -8.804 -6.732 1.00 0.00 C ATOM 1087 C VAL A 77 -2.977 -9.011 -8.170 1.00 0.00 C ATOM 1088 O VAL A 77 -2.294 -9.580 -9.002 1.00 0.00 O ATOM 1089 CB VAL A 77 -1.915 -7.353 -6.597 1.00 0.00 C ATOM 1090 CG1 VAL A 77 -1.822 -6.922 -5.130 1.00 0.00 C ATOM 1091 CG2 VAL A 77 -0.477 -7.305 -7.182 1.00 0.00 C ATOM 0 H VAL A 77 -0.576 -9.449 -6.156 1.00 0.00 H new ATOM 0 HA VAL A 77 -3.343 -8.908 -6.036 1.00 0.00 H new ATOM 0 HB VAL A 77 -2.582 -6.684 -7.141 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -1.407 -5.916 -5.072 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -2.817 -6.930 -4.685 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -1.176 -7.613 -4.588 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -0.077 -6.296 -7.082 1.00 0.00 H new ATOM 0 HG22 VAL A 77 0.160 -8.003 -6.639 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -0.503 -7.582 -8.236 1.00 0.00 H new ATOM 1101 N PRO A 78 -4.153 -8.522 -8.414 1.00 0.00 N ATOM 1102 CA PRO A 78 -4.367 -7.652 -9.577 1.00 0.00 C ATOM 1103 C PRO A 78 -4.138 -6.168 -9.182 1.00 0.00 C ATOM 1104 O PRO A 78 -3.452 -5.495 -9.926 1.00 0.00 O ATOM 1105 CB PRO A 78 -5.770 -8.098 -9.971 1.00 0.00 C ATOM 1106 CG PRO A 78 -6.499 -8.339 -8.608 1.00 0.00 C ATOM 1107 CD PRO A 78 -5.388 -8.799 -7.633 1.00 0.00 C ATOM 0 HA PRO A 78 -3.690 -7.728 -10.428 1.00 0.00 H new ATOM 0 HB2 PRO A 78 -6.277 -7.337 -10.564 1.00 0.00 H new ATOM 0 HB3 PRO A 78 -5.744 -9.006 -10.574 1.00 0.00 H new ATOM 0 HG2 PRO A 78 -6.983 -7.429 -8.253 1.00 0.00 H new ATOM 0 HG3 PRO A 78 -7.277 -9.096 -8.705 1.00 0.00 H new ATOM 0 HD2 PRO A 78 -5.411 -8.242 -6.696 1.00 0.00 H new ATOM 0 HD3 PRO A 78 -5.481 -9.855 -7.378 1.00 0.00 H new ATOM 1115 N TYR A 79 -4.693 -5.712 -8.073 1.00 0.00 N ATOM 1116 CA TYR A 79 -4.518 -4.279 -7.604 1.00 0.00 C ATOM 1117 C TYR A 79 -3.330 -3.504 -8.223 1.00 0.00 C ATOM 1118 O TYR A 79 -2.184 -3.879 -8.072 1.00 0.00 O ATOM 1119 CB TYR A 79 -4.425 -4.292 -6.018 1.00 0.00 C ATOM 1120 CG TYR A 79 -3.873 -2.981 -5.493 1.00 0.00 C ATOM 1121 CD1 TYR A 79 -4.716 -1.944 -5.680 1.00 0.00 C ATOM 1122 CD2 TYR A 79 -2.644 -2.775 -4.880 1.00 0.00 C ATOM 1123 CE1 TYR A 79 -4.381 -0.707 -5.282 1.00 0.00 C ATOM 1124 CE2 TYR A 79 -2.279 -1.493 -4.456 1.00 0.00 C ATOM 1125 CZ TYR A 79 -3.166 -0.452 -4.665 1.00 0.00 C ATOM 1126 OH TYR A 79 -2.824 0.820 -4.263 1.00 0.00 O ATOM 0 H TYR A 79 -5.273 -6.282 -7.458 1.00 0.00 H new ATOM 0 HA TYR A 79 -5.388 -3.726 -7.958 1.00 0.00 H new ATOM 0 HB2 TYR A 79 -5.413 -4.470 -5.594 1.00 0.00 H new ATOM 0 HB3 TYR A 79 -3.787 -5.114 -5.695 1.00 0.00 H new ATOM 0 HD1 TYR A 79 -5.671 -2.112 -6.155 1.00 0.00 H new ATOM 0 HD2 TYR A 79 -1.970 -3.605 -4.731 1.00 0.00 H new ATOM 0 HE1 TYR A 79 -5.072 0.107 -5.446 1.00 0.00 H new ATOM 0 HE2 TYR A 79 -1.327 -1.320 -3.977 1.00 0.00 H new ATOM 0 HH TYR A 79 -1.936 0.805 -3.849 1.00 0.00 H new ATOM 1136 N THR A 80 -3.699 -2.445 -8.903 1.00 0.00 N ATOM 1137 CA THR A 80 -2.736 -1.547 -9.601 1.00 0.00 C ATOM 1138 C THR A 80 -1.351 -1.282 -8.955 1.00 0.00 C ATOM 1139 O THR A 80 -1.134 -1.167 -7.763 1.00 0.00 O ATOM 1140 CB THR A 80 -3.347 -0.163 -9.851 1.00 0.00 C ATOM 1141 OG1 THR A 80 -4.743 -0.277 -9.606 1.00 0.00 O ATOM 1142 CG2 THR A 80 -3.369 0.214 -11.342 1.00 0.00 C ATOM 0 H THR A 80 -4.673 -2.159 -9.004 1.00 0.00 H new ATOM 0 HA THR A 80 -2.547 -2.134 -10.500 1.00 0.00 H new ATOM 0 HB THR A 80 -2.776 0.541 -9.246 1.00 0.00 H new ATOM 0 HG1 THR A 80 -5.239 0.150 -10.335 1.00 0.00 H new ATOM 0 HG21 THR A 80 -3.812 1.203 -11.461 1.00 0.00 H new ATOM 0 HG22 THR A 80 -2.350 0.223 -11.730 1.00 0.00 H new ATOM 0 HG23 THR A 80 -3.961 -0.517 -11.893 1.00 0.00 H new ATOM 1150 N ILE A 81 -0.432 -1.164 -9.865 1.00 0.00 N ATOM 1151 CA ILE A 81 1.015 -0.911 -9.577 1.00 0.00 C ATOM 1152 C ILE A 81 1.455 0.307 -10.458 1.00 0.00 C ATOM 1153 O ILE A 81 2.450 0.249 -11.158 1.00 0.00 O ATOM 1154 CB ILE A 81 1.620 -2.283 -9.932 1.00 0.00 C ATOM 1155 CG1 ILE A 81 1.174 -3.418 -8.960 1.00 0.00 C ATOM 1156 CG2 ILE A 81 3.171 -2.242 -9.914 1.00 0.00 C ATOM 1157 CD1 ILE A 81 1.736 -3.181 -7.558 1.00 0.00 C ATOM 0 H ILE A 81 -0.635 -1.237 -10.862 1.00 0.00 H new ATOM 0 HA ILE A 81 1.315 -0.623 -8.569 1.00 0.00 H new ATOM 0 HB ILE A 81 1.249 -2.502 -10.933 1.00 0.00 H new ATOM 0 HG12 ILE A 81 0.086 -3.461 -8.918 1.00 0.00 H new ATOM 0 HG13 ILE A 81 1.517 -4.382 -9.337 1.00 0.00 H new ATOM 0 HG21 ILE A 81 3.564 -3.226 -10.169 1.00 0.00 H new ATOM 0 HG22 ILE A 81 3.524 -1.511 -10.641 1.00 0.00 H new ATOM 0 HG23 ILE A 81 3.516 -1.960 -8.919 1.00 0.00 H new ATOM 0 HD11 ILE A 81 1.413 -3.984 -6.896 1.00 0.00 H new ATOM 0 HD12 ILE A 81 2.825 -3.162 -7.601 1.00 0.00 H new ATOM 0 HD13 ILE A 81 1.371 -2.227 -7.176 1.00 0.00 H new ATOM 1169 N SER A 82 0.714 1.396 -10.412 1.00 0.00 N ATOM 1170 CA SER A 82 1.128 2.575 -11.277 1.00 0.00 C ATOM 1171 C SER A 82 1.591 3.903 -10.642 1.00 0.00 C ATOM 1172 O SER A 82 1.334 4.187 -9.484 1.00 0.00 O ATOM 1173 CB SER A 82 -0.040 2.914 -12.242 1.00 0.00 C ATOM 1174 OG SER A 82 0.206 2.080 -13.371 1.00 0.00 O ATOM 0 H SER A 82 -0.123 1.526 -9.844 1.00 0.00 H new ATOM 0 HA SER A 82 2.043 2.192 -11.730 1.00 0.00 H new ATOM 0 HB2 SER A 82 -1.009 2.701 -11.790 1.00 0.00 H new ATOM 0 HB3 SER A 82 -0.041 3.969 -12.515 1.00 0.00 H new ATOM 0 HG SER A 82 -0.492 2.225 -14.043 1.00 0.00 H new ATOM 1180 N PRO A 83 2.260 4.698 -11.470 1.00 0.00 N ATOM 1181 CA PRO A 83 2.529 6.134 -11.169 1.00 0.00 C ATOM 1182 C PRO A 83 1.228 6.785 -10.683 1.00 0.00 C ATOM 1183 O PRO A 83 0.184 6.472 -11.224 1.00 0.00 O ATOM 1184 CB PRO A 83 3.043 6.710 -12.493 1.00 0.00 C ATOM 1185 CG PRO A 83 3.736 5.508 -13.171 1.00 0.00 C ATOM 1186 CD PRO A 83 2.830 4.308 -12.806 1.00 0.00 C ATOM 0 HA PRO A 83 3.260 6.305 -10.379 1.00 0.00 H new ATOM 0 HB2 PRO A 83 2.228 7.099 -13.104 1.00 0.00 H new ATOM 0 HB3 PRO A 83 3.739 7.533 -12.328 1.00 0.00 H new ATOM 0 HG2 PRO A 83 3.806 5.643 -14.250 1.00 0.00 H new ATOM 0 HG3 PRO A 83 4.752 5.370 -12.800 1.00 0.00 H new ATOM 0 HD2 PRO A 83 2.047 4.155 -13.548 1.00 0.00 H new ATOM 0 HD3 PRO A 83 3.397 3.379 -12.746 1.00 0.00 H new ATOM 1194 N ASP A 84 1.327 7.659 -9.708 1.00 0.00 N ATOM 1195 CA ASP A 84 0.110 8.349 -9.163 1.00 0.00 C ATOM 1196 C ASP A 84 -1.167 7.453 -9.256 1.00 0.00 C ATOM 1197 O ASP A 84 -2.217 7.961 -9.583 1.00 0.00 O ATOM 1198 CB ASP A 84 0.038 9.664 -10.007 1.00 0.00 C ATOM 1199 CG ASP A 84 -1.180 10.518 -9.709 1.00 0.00 C ATOM 1200 OD1 ASP A 84 -1.264 11.017 -8.604 1.00 0.00 O ATOM 1201 OD2 ASP A 84 -2.020 10.655 -10.582 1.00 0.00 O ATOM 0 H ASP A 84 2.205 7.926 -9.263 1.00 0.00 H new ATOM 0 HA ASP A 84 0.168 8.562 -8.096 1.00 0.00 H new ATOM 0 HB2 ASP A 84 0.937 10.253 -9.822 1.00 0.00 H new ATOM 0 HB3 ASP A 84 0.038 9.405 -11.066 1.00 0.00 H new ATOM 1206 N ILE A 85 -1.043 6.167 -8.965 1.00 0.00 N ATOM 1207 CA ILE A 85 -2.229 5.233 -9.044 1.00 0.00 C ATOM 1208 C ILE A 85 -3.608 5.945 -9.001 1.00 0.00 C ATOM 1209 O ILE A 85 -4.034 6.622 -8.087 1.00 0.00 O ATOM 1210 CB ILE A 85 -2.088 4.175 -7.908 1.00 0.00 C ATOM 1211 CG1 ILE A 85 -3.003 2.935 -8.172 1.00 0.00 C ATOM 1212 CG2 ILE A 85 -2.324 4.782 -6.534 1.00 0.00 C ATOM 1213 CD1 ILE A 85 -4.483 3.114 -7.791 1.00 0.00 C ATOM 0 H ILE A 85 -0.170 5.725 -8.676 1.00 0.00 H new ATOM 0 HA ILE A 85 -2.213 4.752 -10.022 1.00 0.00 H new ATOM 0 HB ILE A 85 -1.057 3.822 -7.915 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -2.946 2.681 -9.231 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -2.603 2.085 -7.619 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -2.216 4.010 -5.772 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -1.595 5.573 -6.355 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -3.330 5.199 -6.488 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -5.029 2.198 -8.014 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -4.561 3.333 -6.726 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -4.909 3.938 -8.363 1.00 0.00 H new ATOM 1225 N ASP A 86 -4.266 5.741 -10.088 1.00 0.00 N ATOM 1226 CA ASP A 86 -5.603 6.290 -10.377 1.00 0.00 C ATOM 1227 C ASP A 86 -6.790 5.576 -9.667 1.00 0.00 C ATOM 1228 O ASP A 86 -7.669 4.986 -10.268 1.00 0.00 O ATOM 1229 CB ASP A 86 -5.608 6.228 -11.893 1.00 0.00 C ATOM 1230 CG ASP A 86 -5.833 7.555 -12.574 1.00 0.00 C ATOM 1231 OD1 ASP A 86 -6.918 8.063 -12.358 1.00 0.00 O ATOM 1232 OD2 ASP A 86 -4.952 7.970 -13.297 1.00 0.00 O ATOM 0 H ASP A 86 -3.899 5.169 -10.848 1.00 0.00 H new ATOM 0 HA ASP A 86 -5.765 7.292 -9.979 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -4.656 5.818 -12.230 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -6.385 5.534 -12.213 1.00 0.00 H new ATOM 1237 N CYS A 87 -6.748 5.656 -8.372 1.00 0.00 N ATOM 1238 CA CYS A 87 -7.752 5.077 -7.398 1.00 0.00 C ATOM 1239 C CYS A 87 -9.032 4.304 -7.793 1.00 0.00 C ATOM 1240 O CYS A 87 -9.374 3.369 -7.099 1.00 0.00 O ATOM 1241 CB CYS A 87 -8.138 6.264 -6.472 1.00 0.00 C ATOM 1242 SG CYS A 87 -6.751 7.121 -5.699 1.00 0.00 S ATOM 0 H CYS A 87 -5.990 6.144 -7.895 1.00 0.00 H new ATOM 0 HA CYS A 87 -7.206 4.223 -6.998 1.00 0.00 H new ATOM 0 HB2 CYS A 87 -8.711 6.986 -7.054 1.00 0.00 H new ATOM 0 HB3 CYS A 87 -8.797 5.892 -5.687 1.00 0.00 H new ATOM 1247 N SER A 88 -9.714 4.636 -8.853 1.00 0.00 N ATOM 1248 CA SER A 88 -10.960 3.874 -9.201 1.00 0.00 C ATOM 1249 C SER A 88 -10.672 2.736 -10.175 1.00 0.00 C ATOM 1250 O SER A 88 -11.477 1.833 -10.288 1.00 0.00 O ATOM 1251 CB SER A 88 -11.979 4.842 -9.817 1.00 0.00 C ATOM 1252 OG SER A 88 -13.150 4.059 -10.050 1.00 0.00 O ATOM 0 H SER A 88 -9.471 5.393 -9.492 1.00 0.00 H new ATOM 0 HA SER A 88 -11.360 3.431 -8.289 1.00 0.00 H new ATOM 0 HB2 SER A 88 -12.189 5.673 -9.143 1.00 0.00 H new ATOM 0 HB3 SER A 88 -11.602 5.272 -10.745 1.00 0.00 H new ATOM 0 HG SER A 88 -12.904 3.112 -10.110 1.00 0.00 H new ATOM 1258 N ARG A 89 -9.543 2.800 -10.827 1.00 0.00 N ATOM 1259 CA ARG A 89 -9.132 1.754 -11.817 1.00 0.00 C ATOM 1260 C ARG A 89 -8.096 0.834 -11.145 1.00 0.00 C ATOM 1261 O ARG A 89 -6.907 0.793 -11.413 1.00 0.00 O ATOM 1262 CB ARG A 89 -8.558 2.462 -13.120 1.00 0.00 C ATOM 1263 CG ARG A 89 -7.843 3.781 -12.818 1.00 0.00 C ATOM 1264 CD ARG A 89 -7.216 4.437 -14.077 1.00 0.00 C ATOM 1265 NE ARG A 89 -7.539 5.917 -13.996 1.00 0.00 N ATOM 1266 CZ ARG A 89 -7.810 6.634 -15.013 1.00 0.00 C ATOM 1267 NH1 ARG A 89 -8.803 6.274 -15.714 1.00 0.00 N ATOM 1268 NH2 ARG A 89 -7.069 7.645 -15.238 1.00 0.00 N ATOM 0 H ARG A 89 -8.867 3.555 -10.713 1.00 0.00 H new ATOM 0 HA ARG A 89 -9.980 1.144 -12.128 1.00 0.00 H new ATOM 0 HB2 ARG A 89 -7.864 1.785 -13.619 1.00 0.00 H new ATOM 0 HB3 ARG A 89 -9.376 2.650 -13.815 1.00 0.00 H new ATOM 0 HG2 ARG A 89 -8.552 4.477 -12.368 1.00 0.00 H new ATOM 0 HG3 ARG A 89 -7.060 3.602 -12.081 1.00 0.00 H new ATOM 0 HD2 ARG A 89 -6.138 4.276 -14.103 1.00 0.00 H new ATOM 0 HD3 ARG A 89 -7.626 4.000 -14.987 1.00 0.00 H new ATOM 0 HE ARG A 89 -7.539 6.362 -13.078 1.00 0.00 H new ATOM 0 HH11 ARG A 89 -9.339 5.447 -15.452 1.00 0.00 H new ATOM 0 HH12 ARG A 89 -9.066 6.811 -16.540 1.00 0.00 H new ATOM 0 HH21 ARG A 89 -6.291 7.856 -14.613 1.00 0.00 H new ATOM 0 HH22 ARG A 89 -7.254 8.244 -16.043 1.00 0.00 H new ATOM 1282 N ILE A 90 -8.677 0.133 -10.219 1.00 0.00 N ATOM 1283 CA ILE A 90 -7.993 -0.892 -9.350 1.00 0.00 C ATOM 1284 C ILE A 90 -8.583 -2.272 -9.568 1.00 0.00 C ATOM 1285 O ILE A 90 -9.530 -2.446 -10.312 1.00 0.00 O ATOM 1286 CB ILE A 90 -8.166 -0.458 -7.904 1.00 0.00 C ATOM 1287 CG1 ILE A 90 -6.848 0.202 -7.515 1.00 0.00 C ATOM 1288 CG2 ILE A 90 -8.598 -1.590 -6.893 1.00 0.00 C ATOM 1289 CD1 ILE A 90 -7.095 0.864 -6.180 1.00 0.00 C ATOM 0 H ILE A 90 -9.670 0.230 -10.008 1.00 0.00 H new ATOM 0 HA ILE A 90 -6.935 -0.953 -9.606 1.00 0.00 H new ATOM 0 HB ILE A 90 -9.012 0.226 -7.837 1.00 0.00 H new ATOM 0 HG12 ILE A 90 -6.048 -0.535 -7.443 1.00 0.00 H new ATOM 0 HG13 ILE A 90 -6.542 0.933 -8.263 1.00 0.00 H new ATOM 0 HG21 ILE A 90 -8.691 -1.168 -5.892 1.00 0.00 H new ATOM 0 HG22 ILE A 90 -9.557 -2.007 -7.202 1.00 0.00 H new ATOM 0 HG23 ILE A 90 -7.845 -2.378 -6.886 1.00 0.00 H new ATOM 0 HD11 ILE A 90 -6.183 1.358 -5.844 1.00 0.00 H new ATOM 0 HD12 ILE A 90 -7.891 1.602 -6.281 1.00 0.00 H new ATOM 0 HD13 ILE A 90 -7.390 0.111 -5.449 1.00 0.00 H new ATOM 1301 N TYR A 91 -7.978 -3.204 -8.883 1.00 0.00 N ATOM 1302 CA TYR A 91 -8.426 -4.623 -8.970 1.00 0.00 C ATOM 1303 C TYR A 91 -8.295 -5.300 -7.578 1.00 0.00 C ATOM 1304 O TYR A 91 -9.142 -6.084 -7.179 1.00 0.00 O ATOM 1305 CB TYR A 91 -7.548 -5.345 -9.975 1.00 0.00 C ATOM 1306 CG TYR A 91 -7.153 -4.437 -11.139 1.00 0.00 C ATOM 1307 CD1 TYR A 91 -8.006 -4.176 -12.186 1.00 0.00 C ATOM 1308 CD2 TYR A 91 -5.902 -3.861 -11.126 1.00 0.00 C ATOM 1309 CE1 TYR A 91 -7.598 -3.346 -13.211 1.00 0.00 C ATOM 1310 CE2 TYR A 91 -5.499 -3.034 -12.146 1.00 0.00 C ATOM 1311 CZ TYR A 91 -6.346 -2.777 -13.187 1.00 0.00 C ATOM 1312 OH TYR A 91 -5.920 -1.953 -14.199 1.00 0.00 O ATOM 1313 OXT TYR A 91 -7.295 -4.996 -6.956 1.00 0.00 O ATOM 0 H TYR A 91 -7.186 -3.041 -8.262 1.00 0.00 H new ATOM 0 HA TYR A 91 -9.468 -4.667 -9.286 1.00 0.00 H new ATOM 0 HB2 TYR A 91 -6.649 -5.709 -9.477 1.00 0.00 H new ATOM 0 HB3 TYR A 91 -8.076 -6.218 -10.358 1.00 0.00 H new ATOM 0 HD1 TYR A 91 -8.991 -4.619 -12.206 1.00 0.00 H new ATOM 0 HD2 TYR A 91 -5.230 -4.062 -10.305 1.00 0.00 H new ATOM 0 HE1 TYR A 91 -8.265 -3.143 -14.036 1.00 0.00 H new ATOM 0 HE2 TYR A 91 -4.516 -2.588 -12.125 1.00 0.00 H new ATOM 0 HH TYR A 91 -5.009 -1.645 -14.008 1.00 0.00 H new TER 1323 TYR A 91 HETATM 1324 N1A COA A 92 -1.331 11.349 8.199 1.00 0.00 N HETATM 1325 C2A COA A 92 -1.476 12.460 7.467 1.00 0.00 C HETATM 1326 N3A COA A 92 -1.810 12.534 6.179 1.00 0.00 N HETATM 1327 C4A COA A 92 -2.006 11.321 5.604 1.00 0.00 C HETATM 1328 C5A COA A 92 -1.890 10.111 6.229 1.00 0.00 C HETATM 1329 C6A COA A 92 -1.536 10.162 7.596 1.00 0.00 C HETATM 1330 N6A COA A 92 -1.405 9.050 8.305 1.00 0.00 N HETATM 1331 N7A COA A 92 -2.122 9.076 5.344 1.00 0.00 N HETATM 1332 C8A COA A 92 -2.370 9.684 4.217 1.00 0.00 C HETATM 1333 N9A COA A 92 -2.324 11.058 4.286 1.00 0.00 N HETATM 1334 C1B COA A 92 -2.555 12.070 3.211 1.00 0.00 C HETATM 1335 C2B COA A 92 -2.792 13.497 3.762 1.00 0.00 C HETATM 1336 O2B COA A 92 -4.113 14.106 3.584 1.00 0.00 O HETATM 1337 C3B COA A 92 -1.801 14.427 3.123 1.00 0.00 C HETATM 1338 O3B COA A 92 -2.180 15.038 1.876 1.00 0.00 O HETATM 1339 P3B COA A 92 -2.372 16.592 1.889 1.00 0.00 P HETATM 1340 O7A COA A 92 -2.527 16.909 0.456 1.00 0.00 O HETATM 1341 O8A COA A 92 -3.580 16.758 2.729 1.00 0.00 O HETATM 1342 O9A COA A 92 -1.081 17.060 2.443 1.00 0.00 O HETATM 1343 C4B COA A 92 -0.691 13.492 2.734 1.00 0.00 C HETATM 1344 O4B COA A 92 -1.305 12.205 2.490 1.00 0.00 O HETATM 1345 C5B COA A 92 0.312 13.345 3.850 1.00 0.00 C HETATM 1346 O5B COA A 92 0.892 14.570 4.353 1.00 0.00 O HETATM 1347 P1A COA A 92 1.489 14.623 5.851 1.00 0.00 P HETATM 1348 O1A COA A 92 0.385 14.719 6.835 1.00 0.00 O HETATM 1349 O2A COA A 92 2.633 15.561 5.957 1.00 0.00 O HETATM 1350 O3A COA A 92 2.009 13.170 6.002 1.00 0.00 O HETATM 1351 P2A COA A 92 3.297 12.858 5.194 1.00 0.00 P HETATM 1352 O4A COA A 92 4.485 13.101 6.043 1.00 0.00 O HETATM 1353 O5A COA A 92 3.224 13.386 3.815 1.00 0.00 O HETATM 1354 O6A COA A 92 3.129 11.234 5.090 1.00 0.00 O HETATM 1355 CBP COA A 92 1.650 9.171 4.552 1.00 0.00 C HETATM 1356 CCP COA A 92 2.044 10.659 4.318 1.00 0.00 C HETATM 1357 CDP COA A 92 2.681 8.121 4.300 1.00 0.00 C HETATM 1358 CEP COA A 92 0.643 8.836 3.360 1.00 0.00 C HETATM 1359 CAP COA A 92 1.223 9.099 6.116 1.00 0.00 C HETATM 1360 OAP COA A 92 2.424 9.480 6.793 1.00 0.00 O HETATM 1361 C9P COA A 92 0.826 7.695 6.603 1.00 0.00 C HETATM 1362 O9P COA A 92 0.935 7.325 7.758 1.00 0.00 O HETATM 1363 N8P COA A 92 0.328 6.950 5.679 1.00 0.00 N HETATM 1364 C7P COA A 92 -0.098 5.566 5.920 1.00 0.00 C HETATM 1365 C6P COA A 92 0.936 4.842 5.047 1.00 0.00 C HETATM 1366 C5P COA A 92 0.617 5.034 3.596 1.00 0.00 C HETATM 1367 O5P COA A 92 -0.505 5.317 3.250 1.00 0.00 O HETATM 1368 N4P COA A 92 1.607 4.881 2.776 1.00 0.00 N HETATM 1369 C3P COA A 92 1.426 5.027 1.310 1.00 0.00 C HETATM 1370 C2P COA A 92 2.234 3.987 0.758 1.00 0.00 C HETATM 1371 S1P COA A 92 1.959 2.333 1.431 1.00 0.00 S HETATM 0 HO2A COA A 92 -4.008 15.029 3.272 1.00 0.00 H new HETATM 0 H62A COA A 92 -1.557 8.143 7.864 1.00 0.00 H new HETATM 0 H61A COA A 92 -1.153 9.101 9.292 1.00 0.00 H new HETATM 0 H52A COA A 92 -0.172 12.829 4.680 1.00 0.00 H new HETATM 0 H51A COA A 92 1.120 12.701 3.502 1.00 0.00 H new HETATM 0 H143 COA A 92 -0.220 9.500 3.415 1.00 0.00 H new HETATM 0 H142 COA A 92 1.149 8.978 2.405 1.00 0.00 H new HETATM 0 H141 COA A 92 0.311 7.801 3.444 1.00 0.00 H new HETATM 0 H133 COA A 92 3.000 8.167 3.259 1.00 0.00 H new HETATM 0 H132 COA A 92 3.539 8.290 4.950 1.00 0.00 H new HETATM 0 H131 COA A 92 2.257 7.138 4.507 1.00 0.00 H new HETATM 0 H122 COA A 92 1.156 11.265 4.498 1.00 0.00 H new HETATM 0 H121 COA A 92 2.297 10.769 3.264 1.00 0.00 H new HETATM 0 HO1 COA A 92 2.673 10.391 6.530 1.00 0.00 H new HETATM 0 HN8 COA A 92 0.225 7.337 4.741 1.00 0.00 H new HETATM 0 HN4 COA A 92 2.531 4.655 3.145 1.00 0.00 H new HETATM 0 H8A COA A 92 -2.595 9.148 3.295 1.00 0.00 H new HETATM 0 H72 COA A 92 -0.035 5.283 6.971 1.00 0.00 H new HETATM 0 H71 COA A 92 -1.123 5.379 5.601 1.00 0.00 H new HETATM 0 H62 COA A 92 1.934 5.225 5.261 1.00 0.00 H new HETATM 0 H61 COA A 92 0.944 3.779 5.287 1.00 0.00 H new HETATM 0 H4B COA A 92 -0.167 13.876 1.859 1.00 0.00 H new HETATM 0 H3B COA A 92 -1.617 15.243 3.822 1.00 0.00 H new HETATM 0 H32 COA A 92 0.380 4.915 1.024 1.00 0.00 H new HETATM 0 H31 COA A 92 1.748 6.009 0.964 1.00 0.00 H new HETATM 0 H2B COA A 92 -2.687 13.362 4.838 1.00 0.00 H new HETATM 0 H2A COA A 92 -1.302 13.406 7.979 1.00 0.00 H new HETATM 0 H22 COA A 92 2.064 3.953 -0.318 1.00 0.00 H new HETATM 0 H21 COA A 92 3.281 4.249 0.907 1.00 0.00 H new HETATM 0 H1B COA A 92 -3.417 11.733 2.635 1.00 0.00 H new HETATM 0 H10 COA A 92 0.348 9.723 6.296 1.00 0.00 H new HETATM 1403 C1 PLM A 96 0.598 1.805 0.359 1.00 0.00 C HETATM 1404 O1 PLM A 96 -0.537 2.235 0.384 1.00 0.00 O HETATM 1405 C2 PLM A 96 1.036 0.718 -0.604 1.00 0.00 C HETATM 1406 C3 PLM A 96 2.286 1.005 -1.418 1.00 0.00 C HETATM 1407 C4 PLM A 96 2.148 2.130 -2.395 1.00 0.00 C HETATM 1408 C5 PLM A 96 2.824 1.854 -3.754 1.00 0.00 C HETATM 1409 C6 PLM A 96 1.981 0.837 -4.563 1.00 0.00 C HETATM 1410 C7 PLM A 96 2.907 -0.002 -5.468 1.00 0.00 C HETATM 1411 C8 PLM A 96 3.851 -0.901 -4.592 1.00 0.00 C HETATM 1412 C9 PLM A 96 3.078 -1.945 -3.743 1.00 0.00 C HETATM 1413 CA PLM A 96 2.356 -2.915 -4.661 1.00 0.00 C HETATM 1414 CB PLM A 96 1.725 -4.093 -3.896 1.00 0.00 C HETATM 1415 CC PLM A 96 0.652 -3.604 -2.897 1.00 0.00 C HETATM 1416 CD PLM A 96 0.108 -4.847 -2.173 1.00 0.00 C HETATM 1417 CE PLM A 96 -0.760 -4.509 -0.937 1.00 0.00 C HETATM 1418 CF PLM A 96 -1.940 -3.627 -1.344 1.00 0.00 C HETATM 1419 CG PLM A 96 -3.176 -3.855 -0.437 1.00 0.00 C HETATM 0 HG3 PLM A 96 -3.491 -4.896 -0.506 1.00 0.00 H new HETATM 0 HG2 PLM A 96 -2.917 -3.621 0.596 1.00 0.00 H new HETATM 0 HG1 PLM A 96 -3.990 -3.208 -0.762 1.00 0.00 H new HETATM 0 HF2 PLM A 96 -1.643 -2.579 -1.295 1.00 0.00 H new HETATM 0 HF1 PLM A 96 -2.207 -3.835 -2.380 1.00 0.00 H new HETATM 0 HE2 PLM A 96 -1.125 -5.428 -0.478 1.00 0.00 H new HETATM 0 HE1 PLM A 96 -0.155 -3.997 -0.188 1.00 0.00 H new HETATM 0 HD2 PLM A 96 -0.484 -5.436 -2.873 1.00 0.00 H new HETATM 0 HD1 PLM A 96 0.945 -5.471 -1.860 1.00 0.00 H new HETATM 0 HC2 PLM A 96 1.082 -2.900 -2.184 1.00 0.00 H new HETATM 0 HC1 PLM A 96 -0.149 -3.080 -3.418 1.00 0.00 H new HETATM 0 HB2 PLM A 96 1.275 -4.790 -4.604 1.00 0.00 H new HETATM 0 HB1 PLM A 96 2.501 -4.639 -3.360 1.00 0.00 H new HETATM 0 HA2 PLM A 96 1.578 -2.382 -5.207 1.00 0.00 H new HETATM 0 HA1 PLM A 96 3.058 -3.301 -5.401 1.00 0.00 H new HETATM 0 H92 PLM A 96 3.769 -2.486 -3.097 1.00 0.00 H new HETATM 0 H91 PLM A 96 2.362 -1.442 -3.093 1.00 0.00 H new HETATM 0 H82 PLM A 96 4.556 -1.420 -5.242 1.00 0.00 H new HETATM 0 H81 PLM A 96 4.438 -0.265 -3.929 1.00 0.00 H new HETATM 0 H72 PLM A 96 2.310 -0.627 -6.132 1.00 0.00 H new HETATM 0 H71 PLM A 96 3.503 0.656 -6.101 1.00 0.00 H new HETATM 0 H62 PLM A 96 1.431 0.185 -3.885 1.00 0.00 H new HETATM 0 H61 PLM A 96 1.243 1.362 -5.169 1.00 0.00 H new HETATM 0 H52 PLM A 96 2.926 2.783 -4.315 1.00 0.00 H new HETATM 0 H51 PLM A 96 3.830 1.464 -3.598 1.00 0.00 H new HETATM 0 H42 PLM A 96 1.089 2.330 -2.559 1.00 0.00 H new HETATM 0 H41 PLM A 96 2.579 3.032 -1.961 1.00 0.00 H new HETATM 0 H32 PLM A 96 3.104 1.233 -0.735 1.00 0.00 H new HETATM 0 H31 PLM A 96 2.566 0.102 -1.961 1.00 0.00 H new HETATM 0 H22 PLM A 96 1.200 -0.197 -0.035 1.00 0.00 H new HETATM 0 H21 PLM A 96 0.216 0.521 -1.294 1.00 0.00 H new