USER MOD reduce.3.24.130724 H: found=0, std=0, add=702, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 691 hydrogens (18 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 NoAdj-H: A 52 ASNHD21 : A 52 ASN ND2 : A1052 NAG C1 :(H bumps) USER MOD NoAdj-H: A 78 ASNHD21 : A 78 ASN ND2 : A1078 NAG C1 :(H bumps) USER MOD Set 1.1: A 34 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 58 THR OG1 : rot 180:sc= 0.121 USER MOD Single : A 1 ALA N :NH3+ -114:sc= -0.588 (180deg=-2.39!) USER MOD Single : A 5 GLN : amide:sc= -0.314 X(o=-0.31,f=-0.0089) USER MOD Single : A 11 THR OG1 : rot -136:sc= 0.308 USER MOD Single : A 13 GLN : amide:sc= -3.44! K(o=-3.4!,f=-1.8) USER MOD Single : A 15 ASN : amide:sc= -10.3! C(o=-10!,f=-18!) USER MOD Single : A 19 SER OG : rot 41:sc= 0.411 USER MOD Single : A 20 GLN : amide:sc= 0 X(o=0,f=-0.042) USER MOD Single : A 27 GLN : amide:sc= -0.818 K(o=-0.82,f=-2.6!) USER MOD Single : A 29 MET CE :methyl 167:sc= 0 (180deg=-0.049) USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 THR OG1 : rot -15:sc= 0.546 USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ 147:sc= -0.598 (180deg=-1.04) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 50 GLN : amide:sc= 0 X(o=0,f=-0.053) USER MOD Single : A 51 LYS NZ :NH3+ 148:sc= -0.342 (180deg=-0.917) USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 SER OG : rot 13:sc= 0.125 USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 ASN : amide:sc=-0.00935 X(o=-0.0094,f=-0.3) USER MOD Single : A 69 THR OG1 : rot -57:sc= 0.353 USER MOD Single : A 71 MET CE :methyl -125:sc= -5.09! (180deg=-7.58!) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 HIS : no HE2:sc= -27.8! C(o=-28!,f=-33!) USER MOD Single : A 80 THR OG1 : rot 160:sc= -2.83 USER MOD Single : A 83 HIS : no HD1:sc= -1.69! C(o=-1.7!,f=-7.9!) USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 86 THR OG1 : rot 180:sc= 0.0204 USER MOD Single : A 88 TYR OH : rot 180:sc= 0 USER MOD Single : A 89 TYR OH : rot 180:sc= 0 USER MOD Single : A 90 HIS : no HD1:sc= -3.33! C(o=-3.3!,f=-5.4!) USER MOD Single : A 91 LYS NZ :NH3+ -162:sc= 0 (180deg=-0.345) USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A1052 NAG O3 : rot 180:sc= 0 USER MOD Single : A1052 NAG O4 : rot -163:sc= 1.14 USER MOD Single : A1052 NAG O6 : rot 180:sc= 0.941 USER MOD Single : A1078 NAG O3 : rot 180:sc= 0 USER MOD Single : A1078 NAG O4 : rot 160:sc= 0 USER MOD Single : A1078 NAG O6 : rot 39:sc= 0.0336 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -2.501 22.900 9.698 1.00 0.00 N ATOM 2 CA ALA A 1 -2.637 21.635 10.467 1.00 0.00 C ATOM 3 C ALA A 1 -1.798 20.522 9.851 1.00 0.00 C ATOM 4 O ALA A 1 -0.790 20.102 10.419 1.00 0.00 O ATOM 5 CB ALA A 1 -4.096 21.213 10.536 1.00 0.00 C ATOM 0 H1 ALA A 1 -2.025 23.614 10.286 1.00 0.00 H new ATOM 0 H2 ALA A 1 -1.938 22.726 8.841 1.00 0.00 H new ATOM 0 H3 ALA A 1 -3.444 23.246 9.429 1.00 0.00 H new ATOM 0 HA ALA A 1 -2.271 21.816 11.478 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -4.180 20.285 11.102 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -4.677 21.992 11.028 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -4.478 21.058 9.527 1.00 0.00 H new ATOM 13 N PRO A 2 -2.209 20.026 8.674 1.00 0.00 N ATOM 14 CA PRO A 2 -1.496 18.952 7.976 1.00 0.00 C ATOM 15 C PRO A 2 -0.139 19.404 7.450 1.00 0.00 C ATOM 16 O PRO A 2 0.162 20.597 7.425 1.00 0.00 O ATOM 17 CB PRO A 2 -2.428 18.599 6.815 1.00 0.00 C ATOM 18 CG PRO A 2 -3.223 19.836 6.580 1.00 0.00 C ATOM 19 CD PRO A 2 -3.401 20.472 7.931 1.00 0.00 C ATOM 0 HA PRO A 2 -1.280 18.112 8.636 1.00 0.00 H new ATOM 0 HB2 PRO A 2 -1.864 18.316 5.926 1.00 0.00 H new ATOM 0 HB3 PRO A 2 -3.072 17.756 7.066 1.00 0.00 H new ATOM 0 HG2 PRO A 2 -2.706 20.509 5.896 1.00 0.00 H new ATOM 0 HG3 PRO A 2 -4.187 19.601 6.128 1.00 0.00 H new ATOM 0 HD2 PRO A 2 -3.448 21.559 7.861 1.00 0.00 H new ATOM 0 HD3 PRO A 2 -4.322 20.143 8.413 1.00 0.00 H new ATOM 27 N ASP A 3 0.673 18.443 7.026 1.00 0.00 N ATOM 28 CA ASP A 3 1.997 18.741 6.495 1.00 0.00 C ATOM 29 C ASP A 3 1.913 19.077 5.008 1.00 0.00 C ATOM 30 O ASP A 3 1.457 20.157 4.633 1.00 0.00 O ATOM 31 CB ASP A 3 2.938 17.554 6.720 1.00 0.00 C ATOM 32 CG ASP A 3 3.125 17.233 8.190 1.00 0.00 C ATOM 33 OD1 ASP A 3 3.608 18.113 8.934 1.00 0.00 O ATOM 34 OD2 ASP A 3 2.790 16.102 8.598 1.00 0.00 O ATOM 0 H ASP A 3 0.438 17.451 7.040 1.00 0.00 H new ATOM 0 HA ASP A 3 2.395 19.608 7.023 1.00 0.00 H new ATOM 0 HB2 ASP A 3 2.541 16.678 6.207 1.00 0.00 H new ATOM 0 HB3 ASP A 3 3.908 17.773 6.273 1.00 0.00 H new ATOM 39 N VAL A 4 2.347 18.144 4.166 1.00 0.00 N ATOM 40 CA VAL A 4 2.314 18.336 2.722 1.00 0.00 C ATOM 41 C VAL A 4 2.481 17.003 2.005 1.00 0.00 C ATOM 42 O VAL A 4 3.095 16.928 0.941 1.00 0.00 O ATOM 43 CB VAL A 4 3.412 19.308 2.247 1.00 0.00 C ATOM 44 CG1 VAL A 4 2.882 20.734 2.205 1.00 0.00 C ATOM 45 CG2 VAL A 4 4.642 19.214 3.139 1.00 0.00 C ATOM 0 H VAL A 4 2.727 17.245 4.461 1.00 0.00 H new ATOM 0 HA VAL A 4 1.344 18.769 2.478 1.00 0.00 H new ATOM 0 HB VAL A 4 3.706 19.023 1.237 1.00 0.00 H new ATOM 0 HG11 VAL A 4 3.671 21.406 1.867 1.00 0.00 H new ATOM 0 HG12 VAL A 4 2.039 20.789 1.516 1.00 0.00 H new ATOM 0 HG13 VAL A 4 2.555 21.030 3.202 1.00 0.00 H new ATOM 0 HG21 VAL A 4 5.403 19.909 2.784 1.00 0.00 H new ATOM 0 HG22 VAL A 4 4.369 19.467 4.163 1.00 0.00 H new ATOM 0 HG23 VAL A 4 5.036 18.198 3.109 1.00 0.00 H new ATOM 55 N GLN A 5 1.932 15.950 2.603 1.00 0.00 N ATOM 56 CA GLN A 5 2.020 14.614 2.030 1.00 0.00 C ATOM 57 C GLN A 5 0.878 14.362 1.055 1.00 0.00 C ATOM 58 O GLN A 5 -0.022 15.187 0.903 1.00 0.00 O ATOM 59 CB GLN A 5 2.000 13.560 3.139 1.00 0.00 C ATOM 60 CG GLN A 5 0.688 13.507 3.906 1.00 0.00 C ATOM 61 CD GLN A 5 0.417 12.140 4.502 1.00 0.00 C ATOM 62 OE1 GLN A 5 -0.492 11.430 4.071 1.00 0.00 O ATOM 63 NE2 GLN A 5 1.205 11.765 5.503 1.00 0.00 N ATOM 0 H GLN A 5 1.421 15.998 3.485 1.00 0.00 H new ATOM 0 HA GLN A 5 2.961 14.542 1.484 1.00 0.00 H new ATOM 0 HB2 GLN A 5 2.195 12.581 2.702 1.00 0.00 H new ATOM 0 HB3 GLN A 5 2.811 13.764 3.838 1.00 0.00 H new ATOM 0 HG2 GLN A 5 0.707 14.250 4.703 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -0.130 13.777 3.238 1.00 0.00 H new ATOM 0 HE21 GLN A 5 1.946 12.385 5.828 1.00 0.00 H new ATOM 0 HE22 GLN A 5 1.069 10.857 5.946 1.00 0.00 H new ATOM 72 N ASP A 6 0.926 13.211 0.398 1.00 0.00 N ATOM 73 CA ASP A 6 -0.096 12.830 -0.565 1.00 0.00 C ATOM 74 C ASP A 6 0.048 11.360 -0.932 1.00 0.00 C ATOM 75 O ASP A 6 -0.180 10.965 -2.075 1.00 0.00 O ATOM 76 CB ASP A 6 0.006 13.698 -1.820 1.00 0.00 C ATOM 77 CG ASP A 6 -1.244 14.523 -2.053 1.00 0.00 C ATOM 78 OD1 ASP A 6 -1.537 15.406 -1.220 1.00 0.00 O ATOM 79 OD2 ASP A 6 -1.932 14.286 -3.069 1.00 0.00 O ATOM 0 H ASP A 6 1.668 12.521 0.516 1.00 0.00 H new ATOM 0 HA ASP A 6 -1.075 12.985 -0.112 1.00 0.00 H new ATOM 0 HB2 ASP A 6 0.865 14.362 -1.730 1.00 0.00 H new ATOM 0 HB3 ASP A 6 0.185 13.061 -2.686 1.00 0.00 H new ATOM 84 N CYS A 7 0.433 10.555 0.051 1.00 0.00 N ATOM 85 CA CYS A 7 0.615 9.125 -0.154 1.00 0.00 C ATOM 86 C CYS A 7 1.118 8.452 1.118 1.00 0.00 C ATOM 87 O CYS A 7 0.526 7.481 1.588 1.00 0.00 O ATOM 88 CB CYS A 7 1.596 8.867 -1.298 1.00 0.00 C ATOM 89 SG CYS A 7 1.970 7.103 -1.571 1.00 0.00 S ATOM 0 H CYS A 7 0.626 10.871 1.002 1.00 0.00 H new ATOM 0 HA CYS A 7 -0.354 8.699 -0.414 1.00 0.00 H new ATOM 0 HB2 CYS A 7 1.186 9.287 -2.216 1.00 0.00 H new ATOM 0 HB3 CYS A 7 2.526 9.397 -1.092 1.00 0.00 H new ATOM 94 N PRO A 8 2.219 8.962 1.698 1.00 0.00 N ATOM 95 CA PRO A 8 2.795 8.413 2.914 1.00 0.00 C ATOM 96 C PRO A 8 1.745 7.773 3.813 1.00 0.00 C ATOM 97 O PRO A 8 0.673 8.337 4.034 1.00 0.00 O ATOM 98 CB PRO A 8 3.403 9.649 3.562 1.00 0.00 C ATOM 99 CG PRO A 8 3.867 10.482 2.408 1.00 0.00 C ATOM 100 CD PRO A 8 2.992 10.124 1.223 1.00 0.00 C ATOM 0 HA PRO A 8 3.510 7.611 2.727 1.00 0.00 H new ATOM 0 HB2 PRO A 8 2.670 10.182 4.168 1.00 0.00 H new ATOM 0 HB3 PRO A 8 4.231 9.386 4.221 1.00 0.00 H new ATOM 0 HG2 PRO A 8 3.785 11.544 2.641 1.00 0.00 H new ATOM 0 HG3 PRO A 8 4.916 10.284 2.187 1.00 0.00 H new ATOM 0 HD2 PRO A 8 2.340 10.951 0.942 1.00 0.00 H new ATOM 0 HD3 PRO A 8 3.589 9.876 0.345 1.00 0.00 H new ATOM 108 N GLU A 9 2.058 6.585 4.314 1.00 0.00 N ATOM 109 CA GLU A 9 1.145 5.849 5.178 1.00 0.00 C ATOM 110 C GLU A 9 0.232 4.958 4.348 1.00 0.00 C ATOM 111 O GLU A 9 -0.077 5.267 3.198 1.00 0.00 O ATOM 112 CB GLU A 9 0.314 6.807 6.035 1.00 0.00 C ATOM 113 CG GLU A 9 0.152 6.347 7.475 1.00 0.00 C ATOM 114 CD GLU A 9 -0.590 7.355 8.332 1.00 0.00 C ATOM 115 OE1 GLU A 9 -1.753 7.670 8.005 1.00 0.00 O ATOM 116 OE2 GLU A 9 -0.008 7.827 9.331 1.00 0.00 O ATOM 0 H GLU A 9 2.942 6.109 4.135 1.00 0.00 H new ATOM 0 HA GLU A 9 1.738 5.222 5.843 1.00 0.00 H new ATOM 0 HB2 GLU A 9 0.784 7.790 6.027 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -0.672 6.922 5.585 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -0.384 5.398 7.491 1.00 0.00 H new ATOM 0 HG3 GLU A 9 1.136 6.164 7.906 1.00 0.00 H new ATOM 123 N CYS A 10 -0.182 3.842 4.932 1.00 0.00 N ATOM 124 CA CYS A 10 -1.041 2.896 4.235 1.00 0.00 C ATOM 125 C CYS A 10 -2.515 3.106 4.576 1.00 0.00 C ATOM 126 O CYS A 10 -2.918 3.019 5.736 1.00 0.00 O ATOM 127 CB CYS A 10 -0.623 1.463 4.574 1.00 0.00 C ATOM 128 SG CYS A 10 -1.641 0.182 3.775 1.00 0.00 S ATOM 0 H CYS A 10 0.062 3.570 5.884 1.00 0.00 H new ATOM 0 HA CYS A 10 -0.923 3.068 3.165 1.00 0.00 H new ATOM 0 HB2 CYS A 10 0.417 1.320 4.281 1.00 0.00 H new ATOM 0 HB3 CYS A 10 -0.671 1.328 5.655 1.00 0.00 H new ATOM 133 N THR A 11 -3.312 3.364 3.543 1.00 0.00 N ATOM 134 CA THR A 11 -4.746 3.567 3.702 1.00 0.00 C ATOM 135 C THR A 11 -5.486 2.963 2.516 1.00 0.00 C ATOM 136 O THR A 11 -5.118 1.894 2.032 1.00 0.00 O ATOM 137 CB THR A 11 -5.077 5.056 3.839 1.00 0.00 C ATOM 138 OG1 THR A 11 -6.462 5.241 4.075 1.00 0.00 O ATOM 139 CG2 THR A 11 -4.706 5.874 2.621 1.00 0.00 C ATOM 0 H THR A 11 -2.984 3.438 2.580 1.00 0.00 H new ATOM 0 HA THR A 11 -5.069 3.068 4.616 1.00 0.00 H new ATOM 0 HB THR A 11 -4.480 5.405 4.681 1.00 0.00 H new ATOM 0 HG1 THR A 11 -6.793 5.978 3.520 1.00 0.00 H new ATOM 0 HG21 THR A 11 -4.969 6.918 2.790 1.00 0.00 H new ATOM 0 HG22 THR A 11 -3.634 5.795 2.442 1.00 0.00 H new ATOM 0 HG23 THR A 11 -5.247 5.499 1.752 1.00 0.00 H new ATOM 147 N LEU A 12 -6.525 3.637 2.044 1.00 0.00 N ATOM 148 CA LEU A 12 -7.292 3.129 0.916 1.00 0.00 C ATOM 149 C LEU A 12 -7.287 4.100 -0.249 1.00 0.00 C ATOM 150 O LEU A 12 -7.314 5.316 -0.062 1.00 0.00 O ATOM 151 CB LEU A 12 -8.730 2.859 1.334 1.00 0.00 C ATOM 152 CG LEU A 12 -8.979 1.493 1.961 1.00 0.00 C ATOM 153 CD1 LEU A 12 -7.736 0.995 2.670 1.00 0.00 C ATOM 154 CD2 LEU A 12 -10.145 1.581 2.919 1.00 0.00 C ATOM 0 H LEU A 12 -6.853 4.527 2.419 1.00 0.00 H new ATOM 0 HA LEU A 12 -6.818 2.202 0.594 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -9.035 3.628 2.044 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -9.371 2.961 0.458 1.00 0.00 H new ATOM 0 HG LEU A 12 -9.221 0.779 1.174 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -7.935 0.018 3.111 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -6.918 0.910 1.954 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -7.459 1.698 3.456 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -10.322 0.603 3.367 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -9.918 2.304 3.703 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -11.036 1.900 2.379 1.00 0.00 H new ATOM 166 N GLN A 13 -7.275 3.550 -1.454 1.00 0.00 N ATOM 167 CA GLN A 13 -7.294 4.366 -2.655 1.00 0.00 C ATOM 168 C GLN A 13 -8.693 4.492 -3.174 1.00 0.00 C ATOM 169 O GLN A 13 -8.947 4.365 -4.371 1.00 0.00 O ATOM 170 CB GLN A 13 -6.428 3.777 -3.734 1.00 0.00 C ATOM 171 CG GLN A 13 -5.032 3.463 -3.265 1.00 0.00 C ATOM 172 CD GLN A 13 -3.971 4.240 -4.020 1.00 0.00 C ATOM 173 OE1 GLN A 13 -3.193 3.671 -4.785 1.00 0.00 O ATOM 174 NE2 GLN A 13 -3.937 5.551 -3.807 1.00 0.00 N ATOM 0 H GLN A 13 -7.252 2.545 -1.624 1.00 0.00 H new ATOM 0 HA GLN A 13 -6.904 5.348 -2.387 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -6.893 2.865 -4.108 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -6.376 4.474 -4.571 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -4.952 3.687 -2.201 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -4.846 2.395 -3.381 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -4.602 5.981 -3.164 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -3.246 6.128 -4.287 1.00 0.00 H new ATOM 183 N GLU A 14 -9.584 4.711 -2.245 1.00 0.00 N ATOM 184 CA GLU A 14 -11.004 4.833 -2.538 1.00 0.00 C ATOM 185 C GLU A 14 -11.262 4.663 -4.014 1.00 0.00 C ATOM 186 O GLU A 14 -10.787 5.429 -4.853 1.00 0.00 O ATOM 187 CB GLU A 14 -11.582 6.155 -2.075 1.00 0.00 C ATOM 188 CG GLU A 14 -13.089 6.245 -2.279 1.00 0.00 C ATOM 189 CD GLU A 14 -13.540 7.631 -2.700 1.00 0.00 C ATOM 190 OE1 GLU A 14 -12.743 8.583 -2.560 1.00 0.00 O ATOM 191 OE2 GLU A 14 -14.690 7.764 -3.170 1.00 0.00 O ATOM 0 H GLU A 14 -9.354 4.812 -1.256 1.00 0.00 H new ATOM 0 HA GLU A 14 -11.502 4.038 -1.983 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -11.354 6.296 -1.018 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -11.098 6.968 -2.617 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -13.393 5.523 -3.036 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -13.594 5.968 -1.354 1.00 0.00 H new ATOM 198 N ASN A 15 -12.014 3.643 -4.300 1.00 0.00 N ATOM 199 CA ASN A 15 -12.369 3.294 -5.652 1.00 0.00 C ATOM 200 C ASN A 15 -12.792 4.513 -6.458 1.00 0.00 C ATOM 201 O ASN A 15 -13.806 5.144 -6.164 1.00 0.00 O ATOM 202 CB ASN A 15 -13.485 2.273 -5.614 1.00 0.00 C ATOM 203 CG ASN A 15 -13.466 1.347 -6.798 1.00 0.00 C ATOM 204 OD1 ASN A 15 -14.074 1.612 -7.835 1.00 0.00 O ATOM 205 ND2 ASN A 15 -12.763 0.248 -6.633 1.00 0.00 N ATOM 0 H ASN A 15 -12.406 3.019 -3.595 1.00 0.00 H new ATOM 0 HA ASN A 15 -11.493 2.874 -6.146 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -13.404 1.687 -4.699 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -14.444 2.790 -5.578 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -12.702 -0.436 -7.387 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -12.279 0.080 -5.751 1.00 0.00 H new ATOM 212 N PRO A 16 -12.029 4.842 -7.510 1.00 0.00 N ATOM 213 CA PRO A 16 -12.337 5.961 -8.381 1.00 0.00 C ATOM 214 C PRO A 16 -13.357 5.555 -9.433 1.00 0.00 C ATOM 215 O PRO A 16 -13.514 6.213 -10.462 1.00 0.00 O ATOM 216 CB PRO A 16 -10.993 6.306 -9.028 1.00 0.00 C ATOM 217 CG PRO A 16 -10.091 5.126 -8.803 1.00 0.00 C ATOM 218 CD PRO A 16 -10.829 4.123 -7.947 1.00 0.00 C ATOM 0 HA PRO A 16 -12.773 6.805 -7.847 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -11.115 6.502 -10.093 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -10.570 7.207 -8.584 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -9.808 4.677 -9.755 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -9.170 5.440 -8.312 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -11.085 3.227 -8.513 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -10.225 3.802 -7.098 1.00 0.00 H new ATOM 226 N PHE A 17 -14.042 4.453 -9.153 1.00 0.00 N ATOM 227 CA PHE A 17 -15.054 3.914 -10.043 1.00 0.00 C ATOM 228 C PHE A 17 -16.349 3.675 -9.277 1.00 0.00 C ATOM 229 O PHE A 17 -17.416 4.153 -9.662 1.00 0.00 O ATOM 230 CB PHE A 17 -14.563 2.598 -10.645 1.00 0.00 C ATOM 231 CG PHE A 17 -15.519 1.995 -11.630 1.00 0.00 C ATOM 232 CD1 PHE A 17 -16.664 2.677 -12.011 1.00 0.00 C ATOM 233 CD2 PHE A 17 -15.271 0.750 -12.177 1.00 0.00 C ATOM 234 CE1 PHE A 17 -17.545 2.123 -12.921 1.00 0.00 C ATOM 235 CE2 PHE A 17 -16.146 0.191 -13.087 1.00 0.00 C ATOM 236 CZ PHE A 17 -17.286 0.878 -13.460 1.00 0.00 C ATOM 0 H PHE A 17 -13.909 3.910 -8.300 1.00 0.00 H new ATOM 0 HA PHE A 17 -15.241 4.630 -10.843 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -13.606 2.768 -11.138 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -14.385 1.884 -9.841 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -16.870 3.651 -11.593 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -14.382 0.208 -11.889 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -18.435 2.663 -13.210 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -15.940 -0.782 -13.507 1.00 0.00 H new ATOM 0 HZ PHE A 17 -17.972 0.442 -14.171 1.00 0.00 H new ATOM 246 N PHE A 18 -16.234 2.928 -8.185 1.00 0.00 N ATOM 247 CA PHE A 18 -17.378 2.609 -7.343 1.00 0.00 C ATOM 248 C PHE A 18 -17.782 3.807 -6.494 1.00 0.00 C ATOM 249 O PHE A 18 -18.870 3.834 -5.920 1.00 0.00 O ATOM 250 CB PHE A 18 -17.038 1.438 -6.428 1.00 0.00 C ATOM 251 CG PHE A 18 -18.121 0.408 -6.335 1.00 0.00 C ATOM 252 CD1 PHE A 18 -19.380 0.748 -5.876 1.00 0.00 C ATOM 253 CD2 PHE A 18 -17.877 -0.901 -6.709 1.00 0.00 C ATOM 254 CE1 PHE A 18 -20.381 -0.202 -5.789 1.00 0.00 C ATOM 255 CE2 PHE A 18 -18.872 -1.855 -6.627 1.00 0.00 C ATOM 256 CZ PHE A 18 -20.126 -1.506 -6.167 1.00 0.00 C ATOM 0 H PHE A 18 -15.352 2.530 -7.861 1.00 0.00 H new ATOM 0 HA PHE A 18 -18.212 2.343 -7.993 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -16.126 0.961 -6.788 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -16.826 1.819 -5.429 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -19.584 1.767 -5.582 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -16.898 -1.180 -7.069 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -21.360 0.075 -5.426 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -18.669 -2.874 -6.923 1.00 0.00 H new ATOM 0 HZ PHE A 18 -20.906 -2.251 -6.103 1.00 0.00 H new ATOM 266 N SER A 19 -16.894 4.787 -6.405 1.00 0.00 N ATOM 267 CA SER A 19 -17.156 5.976 -5.612 1.00 0.00 C ATOM 268 C SER A 19 -18.508 6.582 -5.963 1.00 0.00 C ATOM 269 O SER A 19 -18.670 7.213 -7.007 1.00 0.00 O ATOM 270 CB SER A 19 -16.053 7.009 -5.818 1.00 0.00 C ATOM 271 OG SER A 19 -15.862 7.289 -7.194 1.00 0.00 O ATOM 0 H SER A 19 -15.987 4.781 -6.872 1.00 0.00 H new ATOM 0 HA SER A 19 -17.174 5.680 -4.563 1.00 0.00 H new ATOM 0 HB2 SER A 19 -16.308 7.927 -5.290 1.00 0.00 H new ATOM 0 HB3 SER A 19 -15.122 6.641 -5.387 1.00 0.00 H new ATOM 0 HG SER A 19 -16.733 7.349 -7.640 1.00 0.00 H new ATOM 277 N GLN A 20 -19.473 6.387 -5.076 1.00 0.00 N ATOM 278 CA GLN A 20 -20.818 6.917 -5.279 1.00 0.00 C ATOM 279 C GLN A 20 -21.262 7.736 -4.071 1.00 0.00 C ATOM 280 O GLN A 20 -20.727 7.575 -2.975 1.00 0.00 O ATOM 281 CB GLN A 20 -21.809 5.778 -5.527 1.00 0.00 C ATOM 282 CG GLN A 20 -21.516 4.982 -6.789 1.00 0.00 C ATOM 283 CD GLN A 20 -22.701 4.158 -7.247 1.00 0.00 C ATOM 284 OE1 GLN A 20 -23.776 4.691 -7.522 1.00 0.00 O ATOM 285 NE2 GLN A 20 -22.510 2.846 -7.331 1.00 0.00 N ATOM 0 H GLN A 20 -19.352 5.866 -4.208 1.00 0.00 H new ATOM 0 HA GLN A 20 -20.798 7.567 -6.154 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -21.797 5.104 -4.671 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -22.816 6.191 -5.593 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -21.224 5.666 -7.586 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -20.667 4.322 -6.609 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -21.602 2.447 -7.093 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -23.271 2.238 -7.633 1.00 0.00 H new ATOM 294 N PRO A 21 -22.250 8.627 -4.260 1.00 0.00 N ATOM 295 CA PRO A 21 -22.772 9.475 -3.181 1.00 0.00 C ATOM 296 C PRO A 21 -23.297 8.649 -2.012 1.00 0.00 C ATOM 297 O PRO A 21 -24.490 8.669 -1.707 1.00 0.00 O ATOM 298 CB PRO A 21 -23.916 10.248 -3.845 1.00 0.00 C ATOM 299 CG PRO A 21 -23.626 10.189 -5.305 1.00 0.00 C ATOM 300 CD PRO A 21 -22.936 8.874 -5.538 1.00 0.00 C ATOM 0 HA PRO A 21 -22.001 10.120 -2.760 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -24.882 9.797 -3.616 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -23.953 11.278 -3.491 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -24.544 10.256 -5.888 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -22.992 11.022 -5.611 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -23.647 8.082 -5.774 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -22.233 8.929 -6.369 1.00 0.00 H new ATOM 308 N GLY A 22 -22.396 7.918 -1.370 1.00 0.00 N ATOM 309 CA GLY A 22 -22.776 7.083 -0.250 1.00 0.00 C ATOM 310 C GLY A 22 -21.945 5.824 -0.170 1.00 0.00 C ATOM 311 O GLY A 22 -21.986 5.107 0.829 1.00 0.00 O ATOM 0 H GLY A 22 -21.404 7.889 -1.607 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -22.667 7.648 0.676 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -23.829 6.816 -0.338 1.00 0.00 H new ATOM 315 N ALA A 23 -21.193 5.547 -1.230 1.00 0.00 N ATOM 316 CA ALA A 23 -20.359 4.355 -1.272 1.00 0.00 C ATOM 317 C ALA A 23 -19.084 4.586 -2.052 1.00 0.00 C ATOM 318 O ALA A 23 -19.071 4.619 -3.282 1.00 0.00 O ATOM 319 CB ALA A 23 -21.142 3.197 -1.856 1.00 0.00 C ATOM 0 H ALA A 23 -21.145 6.129 -2.066 1.00 0.00 H new ATOM 0 HA ALA A 23 -20.070 4.112 -0.250 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -20.511 2.309 -1.884 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -22.018 3.001 -1.237 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -21.462 3.447 -2.868 1.00 0.00 H new ATOM 325 N PRO A 24 -18.000 4.779 -1.310 1.00 0.00 N ATOM 326 CA PRO A 24 -16.685 5.049 -1.831 1.00 0.00 C ATOM 327 C PRO A 24 -15.733 3.868 -1.714 1.00 0.00 C ATOM 328 O PRO A 24 -14.825 3.870 -0.883 1.00 0.00 O ATOM 329 CB PRO A 24 -16.264 6.178 -0.897 1.00 0.00 C ATOM 330 CG PRO A 24 -16.956 5.887 0.411 1.00 0.00 C ATOM 331 CD PRO A 24 -17.965 4.804 0.145 1.00 0.00 C ATOM 0 HA PRO A 24 -16.674 5.275 -2.897 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -15.181 6.203 -0.773 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -16.562 7.149 -1.293 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -16.237 5.567 1.165 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -17.444 6.782 0.796 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -17.656 3.846 0.563 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -18.939 5.039 0.573 1.00 0.00 H new ATOM 339 N ILE A 25 -15.946 2.869 -2.557 1.00 0.00 N ATOM 340 CA ILE A 25 -15.123 1.688 -2.582 1.00 0.00 C ATOM 341 C ILE A 25 -13.649 2.022 -2.479 1.00 0.00 C ATOM 342 O ILE A 25 -13.283 3.176 -2.265 1.00 0.00 O ATOM 343 CB ILE A 25 -15.423 0.907 -3.853 1.00 0.00 C ATOM 344 CG1 ILE A 25 -16.833 0.387 -3.743 1.00 0.00 C ATOM 345 CG2 ILE A 25 -14.457 -0.246 -4.016 1.00 0.00 C ATOM 346 CD1 ILE A 25 -17.058 -0.280 -2.415 1.00 0.00 C ATOM 0 H ILE A 25 -16.701 2.863 -3.243 1.00 0.00 H new ATOM 0 HA ILE A 25 -15.360 1.076 -1.712 1.00 0.00 H new ATOM 0 HB ILE A 25 -15.314 1.553 -4.724 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -17.538 1.209 -3.865 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -17.027 -0.322 -4.548 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -14.691 -0.790 -4.931 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -13.438 0.138 -4.072 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -14.545 -0.918 -3.162 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -18.083 -0.646 -2.361 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -16.367 -1.116 -2.306 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -16.887 0.438 -1.613 1.00 0.00 H new ATOM 358 N LEU A 26 -12.799 1.002 -2.541 1.00 0.00 N ATOM 359 CA LEU A 26 -11.383 1.218 -2.350 1.00 0.00 C ATOM 360 C LEU A 26 -10.491 0.246 -3.050 1.00 0.00 C ATOM 361 O LEU A 26 -10.851 -0.406 -4.026 1.00 0.00 O ATOM 362 CB LEU A 26 -11.128 1.081 -0.877 1.00 0.00 C ATOM 363 CG LEU A 26 -12.387 1.211 -0.072 1.00 0.00 C ATOM 364 CD1 LEU A 26 -12.460 0.134 0.985 1.00 0.00 C ATOM 365 CD2 LEU A 26 -12.492 2.600 0.527 1.00 0.00 C ATOM 0 H LEU A 26 -13.067 0.034 -2.720 1.00 0.00 H new ATOM 0 HA LEU A 26 -11.149 2.197 -2.768 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -10.669 0.113 -0.678 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -10.416 1.843 -0.560 1.00 0.00 H new ATOM 0 HG LEU A 26 -13.242 1.073 -0.733 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -13.381 0.247 1.557 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -12.448 -0.846 0.508 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -11.604 0.222 1.654 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -13.411 2.677 1.108 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -11.636 2.782 1.177 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -12.505 3.341 -0.272 1.00 0.00 H new ATOM 377 N GLN A 27 -9.298 0.185 -2.495 1.00 0.00 N ATOM 378 CA GLN A 27 -8.260 -0.684 -2.989 1.00 0.00 C ATOM 379 C GLN A 27 -6.913 -0.354 -2.334 1.00 0.00 C ATOM 380 O GLN A 27 -5.907 -0.154 -3.011 1.00 0.00 O ATOM 381 CB GLN A 27 -8.198 -0.569 -4.512 1.00 0.00 C ATOM 382 CG GLN A 27 -7.049 -1.341 -5.139 1.00 0.00 C ATOM 383 CD GLN A 27 -6.055 -0.443 -5.848 1.00 0.00 C ATOM 384 OE1 GLN A 27 -6.375 0.688 -6.216 1.00 0.00 O ATOM 385 NE2 GLN A 27 -4.841 -0.943 -6.042 1.00 0.00 N ATOM 0 H GLN A 27 -9.024 0.741 -1.685 1.00 0.00 H new ATOM 0 HA GLN A 27 -8.489 -1.717 -2.727 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -9.137 -0.928 -4.933 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -8.108 0.483 -4.784 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -6.532 -1.907 -4.364 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -7.449 -2.065 -5.849 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -4.620 -1.885 -5.720 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -4.129 -0.385 -6.513 1.00 0.00 H new ATOM 394 N CYS A 28 -6.932 -0.311 -0.997 1.00 0.00 N ATOM 395 CA CYS A 28 -5.751 -0.019 -0.167 1.00 0.00 C ATOM 396 C CYS A 28 -4.679 0.782 -0.907 1.00 0.00 C ATOM 397 O CYS A 28 -4.131 0.333 -1.913 1.00 0.00 O ATOM 398 CB CYS A 28 -5.117 -1.314 0.368 1.00 0.00 C ATOM 399 SG CYS A 28 -5.790 -1.912 1.963 1.00 0.00 S ATOM 0 H CYS A 28 -7.777 -0.480 -0.451 1.00 0.00 H new ATOM 0 HA CYS A 28 -6.118 0.591 0.659 1.00 0.00 H new ATOM 0 HB2 CYS A 28 -5.245 -2.098 -0.379 1.00 0.00 H new ATOM 0 HB3 CYS A 28 -4.045 -1.154 0.482 1.00 0.00 H new ATOM 404 N MET A 29 -4.360 1.957 -0.372 1.00 0.00 N ATOM 405 CA MET A 29 -3.328 2.815 -0.951 1.00 0.00 C ATOM 406 C MET A 29 -1.938 2.303 -0.583 1.00 0.00 C ATOM 407 O MET A 29 -1.076 2.141 -1.446 1.00 0.00 O ATOM 408 CB MET A 29 -3.504 4.259 -0.463 1.00 0.00 C ATOM 409 CG MET A 29 -2.222 5.082 -0.468 1.00 0.00 C ATOM 410 SD MET A 29 -2.247 6.397 -1.702 1.00 0.00 S ATOM 411 CE MET A 29 -3.449 7.516 -0.987 1.00 0.00 C ATOM 0 H MET A 29 -4.802 2.339 0.464 1.00 0.00 H new ATOM 0 HA MET A 29 -3.430 2.794 -2.036 1.00 0.00 H new ATOM 0 HB2 MET A 29 -4.243 4.755 -1.092 1.00 0.00 H new ATOM 0 HB3 MET A 29 -3.907 4.242 0.550 1.00 0.00 H new ATOM 0 HG2 MET A 29 -2.071 5.518 0.519 1.00 0.00 H new ATOM 0 HG3 MET A 29 -1.374 4.425 -0.660 1.00 0.00 H new ATOM 0 HE1 MET A 29 -3.407 8.474 -1.505 1.00 0.00 H new ATOM 0 HE2 MET A 29 -4.448 7.092 -1.090 1.00 0.00 H new ATOM 0 HE3 MET A 29 -3.225 7.664 0.069 1.00 0.00 H new ATOM 421 N GLY A 30 -1.729 2.052 0.705 1.00 0.00 N ATOM 422 CA GLY A 30 -0.445 1.561 1.167 1.00 0.00 C ATOM 423 C GLY A 30 0.720 2.346 0.600 1.00 0.00 C ATOM 424 O GLY A 30 1.120 2.134 -0.545 1.00 0.00 O ATOM 0 H GLY A 30 -2.427 2.180 1.438 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -0.413 1.607 2.256 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -0.340 0.512 0.889 1.00 0.00 H new ATOM 428 N CYS A 31 1.276 3.248 1.406 1.00 0.00 N ATOM 429 CA CYS A 31 2.410 4.055 0.976 1.00 0.00 C ATOM 430 C CYS A 31 3.623 3.762 1.844 1.00 0.00 C ATOM 431 O CYS A 31 4.269 4.671 2.368 1.00 0.00 O ATOM 432 CB CYS A 31 2.066 5.544 1.034 1.00 0.00 C ATOM 433 SG CYS A 31 3.143 6.599 0.009 1.00 0.00 S ATOM 0 H CYS A 31 0.959 3.436 2.357 1.00 0.00 H new ATOM 0 HA CYS A 31 2.645 3.796 -0.056 1.00 0.00 H new ATOM 0 HB2 CYS A 31 1.033 5.680 0.715 1.00 0.00 H new ATOM 0 HB3 CYS A 31 2.126 5.879 2.069 1.00 0.00 H new ATOM 438 N CYS A 32 3.922 2.478 1.991 1.00 0.00 N ATOM 439 CA CYS A 32 5.054 2.041 2.796 1.00 0.00 C ATOM 440 C CYS A 32 6.261 2.942 2.571 1.00 0.00 C ATOM 441 O CYS A 32 6.771 3.050 1.456 1.00 0.00 O ATOM 442 CB CYS A 32 5.411 0.591 2.462 1.00 0.00 C ATOM 443 SG CYS A 32 5.236 -0.561 3.864 1.00 0.00 S ATOM 0 H CYS A 32 3.394 1.719 1.561 1.00 0.00 H new ATOM 0 HA CYS A 32 4.770 2.105 3.846 1.00 0.00 H new ATOM 0 HB2 CYS A 32 4.775 0.251 1.645 1.00 0.00 H new ATOM 0 HB3 CYS A 32 6.439 0.555 2.102 1.00 0.00 H new ATOM 448 N PHE A 33 6.716 3.585 3.640 1.00 0.00 N ATOM 449 CA PHE A 33 7.868 4.475 3.562 1.00 0.00 C ATOM 450 C PHE A 33 9.165 3.684 3.669 1.00 0.00 C ATOM 451 O PHE A 33 9.922 3.842 4.626 1.00 0.00 O ATOM 452 CB PHE A 33 7.815 5.534 4.668 1.00 0.00 C ATOM 453 CG PHE A 33 6.531 5.542 5.450 1.00 0.00 C ATOM 454 CD1 PHE A 33 6.306 4.611 6.452 1.00 0.00 C ATOM 455 CD2 PHE A 33 5.550 6.485 5.185 1.00 0.00 C ATOM 456 CE1 PHE A 33 5.127 4.620 7.174 1.00 0.00 C ATOM 457 CE2 PHE A 33 4.370 6.499 5.904 1.00 0.00 C ATOM 458 CZ PHE A 33 4.158 5.565 6.900 1.00 0.00 C ATOM 0 H PHE A 33 6.305 3.507 4.570 1.00 0.00 H new ATOM 0 HA PHE A 33 7.837 4.977 2.595 1.00 0.00 H new ATOM 0 HB2 PHE A 33 8.645 5.368 5.355 1.00 0.00 H new ATOM 0 HB3 PHE A 33 7.962 6.518 4.222 1.00 0.00 H new ATOM 0 HD1 PHE A 33 7.060 3.870 6.671 1.00 0.00 H new ATOM 0 HD2 PHE A 33 5.710 7.217 4.407 1.00 0.00 H new ATOM 0 HE1 PHE A 33 4.964 3.889 7.952 1.00 0.00 H new ATOM 0 HE2 PHE A 33 3.614 7.239 5.688 1.00 0.00 H new ATOM 0 HZ PHE A 33 3.236 5.574 7.463 1.00 0.00 H new ATOM 468 N SER A 34 9.414 2.830 2.683 1.00 0.00 N ATOM 469 CA SER A 34 10.620 2.011 2.668 1.00 0.00 C ATOM 470 C SER A 34 11.264 2.014 1.286 1.00 0.00 C ATOM 471 O SER A 34 11.089 1.078 0.506 1.00 0.00 O ATOM 472 CB SER A 34 10.290 0.578 3.084 1.00 0.00 C ATOM 473 OG SER A 34 8.890 0.362 3.094 1.00 0.00 O ATOM 0 H SER A 34 8.797 2.687 1.884 1.00 0.00 H new ATOM 0 HA SER A 34 11.328 2.437 3.379 1.00 0.00 H new ATOM 0 HB2 SER A 34 10.765 -0.122 2.397 1.00 0.00 H new ATOM 0 HB3 SER A 34 10.699 0.380 4.075 1.00 0.00 H new ATOM 0 HG SER A 34 8.703 -0.562 3.361 1.00 0.00 H new ATOM 479 N ARG A 35 12.011 3.072 0.989 1.00 0.00 N ATOM 480 CA ARG A 35 12.681 3.194 -0.299 1.00 0.00 C ATOM 481 C ARG A 35 14.174 3.441 -0.116 1.00 0.00 C ATOM 482 O ARG A 35 14.595 4.079 0.848 1.00 0.00 O ATOM 483 CB ARG A 35 12.065 4.331 -1.117 1.00 0.00 C ATOM 484 CG ARG A 35 12.345 4.225 -2.608 1.00 0.00 C ATOM 485 CD ARG A 35 11.580 5.277 -3.396 1.00 0.00 C ATOM 486 NE ARG A 35 10.560 4.681 -4.256 1.00 0.00 N ATOM 487 CZ ARG A 35 9.331 5.169 -4.396 1.00 0.00 C ATOM 488 NH1 ARG A 35 8.967 6.267 -3.747 1.00 0.00 N ATOM 489 NH2 ARG A 35 8.462 4.559 -5.190 1.00 0.00 N ATOM 0 H ARG A 35 12.167 3.856 1.622 1.00 0.00 H new ATOM 0 HA ARG A 35 12.547 2.255 -0.836 1.00 0.00 H new ATOM 0 HB2 ARG A 35 10.987 4.340 -0.957 1.00 0.00 H new ATOM 0 HB3 ARG A 35 12.450 5.282 -0.750 1.00 0.00 H new ATOM 0 HG2 ARG A 35 13.414 4.341 -2.787 1.00 0.00 H new ATOM 0 HG3 ARG A 35 12.068 3.232 -2.961 1.00 0.00 H new ATOM 0 HD2 ARG A 35 11.109 5.976 -2.705 1.00 0.00 H new ATOM 0 HD3 ARG A 35 12.277 5.852 -4.005 1.00 0.00 H new ATOM 0 HE ARG A 35 10.805 3.841 -4.780 1.00 0.00 H new ATOM 0 HH11 ARG A 35 9.631 6.742 -3.136 1.00 0.00 H new ATOM 0 HH12 ARG A 35 8.023 6.636 -3.859 1.00 0.00 H new ATOM 0 HH21 ARG A 35 8.736 3.715 -5.693 1.00 0.00 H new ATOM 0 HH22 ARG A 35 7.519 4.933 -5.297 1.00 0.00 H new ATOM 503 N ALA A 36 14.970 2.932 -1.051 1.00 0.00 N ATOM 504 CA ALA A 36 16.416 3.100 -0.994 1.00 0.00 C ATOM 505 C ALA A 36 16.848 4.355 -1.745 1.00 0.00 C ATOM 506 O ALA A 36 16.786 4.399 -2.973 1.00 0.00 O ATOM 507 CB ALA A 36 17.113 1.874 -1.566 1.00 0.00 C ATOM 0 H ALA A 36 14.638 2.401 -1.856 1.00 0.00 H new ATOM 0 HA ALA A 36 16.705 3.213 0.051 1.00 0.00 H new ATOM 0 HB1 ALA A 36 18.193 2.013 -1.517 1.00 0.00 H new ATOM 0 HB2 ALA A 36 16.834 0.994 -0.987 1.00 0.00 H new ATOM 0 HB3 ALA A 36 16.812 1.736 -2.604 1.00 0.00 H new ATOM 513 N TYR A 37 17.278 5.367 -0.991 1.00 0.00 N ATOM 514 CA TYR A 37 17.724 6.642 -1.561 1.00 0.00 C ATOM 515 C TYR A 37 17.651 6.638 -3.087 1.00 0.00 C ATOM 516 O TYR A 37 18.309 5.837 -3.751 1.00 0.00 O ATOM 517 CB TYR A 37 19.153 6.951 -1.111 1.00 0.00 C ATOM 518 CG TYR A 37 20.211 6.194 -1.883 1.00 0.00 C ATOM 519 CD1 TYR A 37 20.665 6.660 -3.108 1.00 0.00 C ATOM 520 CD2 TYR A 37 20.755 5.018 -1.383 1.00 0.00 C ATOM 521 CE1 TYR A 37 21.634 5.975 -3.817 1.00 0.00 C ATOM 522 CE2 TYR A 37 21.724 4.327 -2.086 1.00 0.00 C ATOM 523 CZ TYR A 37 22.160 4.810 -3.302 1.00 0.00 C ATOM 524 OH TYR A 37 23.125 4.126 -4.004 1.00 0.00 O ATOM 0 H TYR A 37 17.328 5.328 0.027 1.00 0.00 H new ATOM 0 HA TYR A 37 17.051 7.417 -1.196 1.00 0.00 H new ATOM 0 HB2 TYR A 37 19.334 8.021 -1.217 1.00 0.00 H new ATOM 0 HB3 TYR A 37 19.250 6.714 -0.051 1.00 0.00 H new ATOM 0 HD1 TYR A 37 20.255 7.573 -3.514 1.00 0.00 H new ATOM 0 HD2 TYR A 37 20.416 4.638 -0.431 1.00 0.00 H new ATOM 0 HE1 TYR A 37 21.977 6.351 -4.770 1.00 0.00 H new ATOM 0 HE2 TYR A 37 22.138 3.413 -1.685 1.00 0.00 H new ATOM 0 HH TYR A 37 23.390 3.327 -3.502 1.00 0.00 H new ATOM 534 N PRO A 38 16.845 7.544 -3.660 1.00 0.00 N ATOM 535 CA PRO A 38 16.678 7.651 -5.111 1.00 0.00 C ATOM 536 C PRO A 38 17.917 8.211 -5.800 1.00 0.00 C ATOM 537 O PRO A 38 18.346 9.330 -5.517 1.00 0.00 O ATOM 538 CB PRO A 38 15.500 8.615 -5.262 1.00 0.00 C ATOM 539 CG PRO A 38 15.530 9.443 -4.024 1.00 0.00 C ATOM 540 CD PRO A 38 16.035 8.539 -2.933 1.00 0.00 C ATOM 0 HA PRO A 38 16.513 6.678 -5.574 1.00 0.00 H new ATOM 0 HB2 PRO A 38 15.605 9.232 -6.154 1.00 0.00 H new ATOM 0 HB3 PRO A 38 14.557 8.077 -5.356 1.00 0.00 H new ATOM 0 HG2 PRO A 38 16.183 10.307 -4.148 1.00 0.00 H new ATOM 0 HG3 PRO A 38 14.537 9.825 -3.786 1.00 0.00 H new ATOM 0 HD2 PRO A 38 16.631 9.086 -2.202 1.00 0.00 H new ATOM 0 HD3 PRO A 38 15.215 8.070 -2.389 1.00 0.00 H new ATOM 548 N THR A 39 18.485 7.426 -6.710 1.00 0.00 N ATOM 549 CA THR A 39 19.672 7.845 -7.445 1.00 0.00 C ATOM 550 C THR A 39 20.824 8.148 -6.494 1.00 0.00 C ATOM 551 O THR A 39 20.613 8.419 -5.313 1.00 0.00 O ATOM 552 CB THR A 39 19.358 9.076 -8.294 1.00 0.00 C ATOM 553 OG1 THR A 39 19.252 10.231 -7.482 1.00 0.00 O ATOM 554 CG2 THR A 39 18.070 8.945 -9.077 1.00 0.00 C ATOM 0 H THR A 39 18.142 6.497 -6.956 1.00 0.00 H new ATOM 0 HA THR A 39 19.973 7.026 -8.099 1.00 0.00 H new ATOM 0 HB THR A 39 20.186 9.164 -8.997 1.00 0.00 H new ATOM 0 HG1 THR A 39 19.157 9.964 -6.544 1.00 0.00 H new ATOM 0 HG21 THR A 39 17.904 9.852 -9.659 1.00 0.00 H new ATOM 0 HG22 THR A 39 18.138 8.090 -9.749 1.00 0.00 H new ATOM 0 HG23 THR A 39 17.238 8.799 -8.388 1.00 0.00 H new ATOM 562 N PRO A 40 22.061 8.107 -7.005 1.00 0.00 N ATOM 563 CA PRO A 40 23.256 8.377 -6.208 1.00 0.00 C ATOM 564 C PRO A 40 23.082 9.579 -5.287 1.00 0.00 C ATOM 565 O PRO A 40 23.335 10.718 -5.680 1.00 0.00 O ATOM 566 CB PRO A 40 24.317 8.657 -7.269 1.00 0.00 C ATOM 567 CG PRO A 40 23.897 7.835 -8.439 1.00 0.00 C ATOM 568 CD PRO A 40 22.390 7.796 -8.409 1.00 0.00 C ATOM 0 HA PRO A 40 23.504 7.551 -5.541 1.00 0.00 H new ATOM 0 HB2 PRO A 40 24.357 9.717 -7.521 1.00 0.00 H new ATOM 0 HB3 PRO A 40 25.311 8.375 -6.921 1.00 0.00 H new ATOM 0 HG2 PRO A 40 24.256 8.272 -9.371 1.00 0.00 H new ATOM 0 HG3 PRO A 40 24.313 6.830 -8.377 1.00 0.00 H new ATOM 0 HD2 PRO A 40 21.957 8.526 -9.093 1.00 0.00 H new ATOM 0 HD3 PRO A 40 22.009 6.818 -8.703 1.00 0.00 H new ATOM 576 N LEU A 41 22.648 9.317 -4.059 1.00 0.00 N ATOM 577 CA LEU A 41 22.440 10.378 -3.080 1.00 0.00 C ATOM 578 C LEU A 41 23.323 10.170 -1.853 1.00 0.00 C ATOM 579 O LEU A 41 24.403 10.751 -1.749 1.00 0.00 O ATOM 580 CB LEU A 41 20.970 10.435 -2.663 1.00 0.00 C ATOM 581 CG LEU A 41 20.089 11.342 -3.524 1.00 0.00 C ATOM 582 CD1 LEU A 41 18.635 11.244 -3.089 1.00 0.00 C ATOM 583 CD2 LEU A 41 20.575 12.782 -3.451 1.00 0.00 C ATOM 0 H LEU A 41 22.434 8.380 -3.718 1.00 0.00 H new ATOM 0 HA LEU A 41 22.715 11.325 -3.545 1.00 0.00 H new ATOM 0 HB2 LEU A 41 20.561 9.425 -2.689 1.00 0.00 H new ATOM 0 HB3 LEU A 41 20.914 10.775 -1.629 1.00 0.00 H new ATOM 0 HG LEU A 41 20.159 11.008 -4.559 1.00 0.00 H new ATOM 0 HD11 LEU A 41 18.024 11.896 -3.713 1.00 0.00 H new ATOM 0 HD12 LEU A 41 18.292 10.215 -3.195 1.00 0.00 H new ATOM 0 HD13 LEU A 41 18.546 11.551 -2.047 1.00 0.00 H new ATOM 0 HD21 LEU A 41 19.937 13.413 -4.069 1.00 0.00 H new ATOM 0 HD22 LEU A 41 20.535 13.127 -2.418 1.00 0.00 H new ATOM 0 HD23 LEU A 41 21.601 12.838 -3.813 1.00 0.00 H new ATOM 595 N ARG A 42 22.856 9.338 -0.927 1.00 0.00 N ATOM 596 CA ARG A 42 23.606 9.055 0.292 1.00 0.00 C ATOM 597 C ARG A 42 24.328 7.717 0.186 1.00 0.00 C ATOM 598 O ARG A 42 23.809 6.684 0.609 1.00 0.00 O ATOM 599 CB ARG A 42 22.673 9.050 1.505 1.00 0.00 C ATOM 600 CG ARG A 42 23.276 9.698 2.741 1.00 0.00 C ATOM 601 CD ARG A 42 22.740 9.068 4.017 1.00 0.00 C ATOM 602 NE ARG A 42 22.163 10.061 4.919 1.00 0.00 N ATOM 603 CZ ARG A 42 22.657 10.348 6.121 1.00 0.00 C ATOM 604 NH1 ARG A 42 23.744 9.729 6.566 1.00 0.00 N ATOM 605 NH2 ARG A 42 22.061 11.257 6.883 1.00 0.00 N ATOM 0 H ARG A 42 21.964 8.849 -0.997 1.00 0.00 H new ATOM 0 HA ARG A 42 24.350 9.841 0.421 1.00 0.00 H new ATOM 0 HB2 ARG A 42 21.751 9.570 1.246 1.00 0.00 H new ATOM 0 HB3 ARG A 42 22.403 8.021 1.740 1.00 0.00 H new ATOM 0 HG2 ARG A 42 24.361 9.599 2.713 1.00 0.00 H new ATOM 0 HG3 ARG A 42 23.053 10.765 2.739 1.00 0.00 H new ATOM 0 HD2 ARG A 42 21.983 8.325 3.764 1.00 0.00 H new ATOM 0 HD3 ARG A 42 23.546 8.541 4.527 1.00 0.00 H new ATOM 0 HE ARG A 42 21.332 10.565 4.609 1.00 0.00 H new ATOM 0 HH11 ARG A 42 24.206 9.029 5.986 1.00 0.00 H new ATOM 0 HH12 ARG A 42 24.117 9.954 7.488 1.00 0.00 H new ATOM 0 HH21 ARG A 42 21.225 11.735 6.547 1.00 0.00 H new ATOM 0 HH22 ARG A 42 22.439 11.477 7.804 1.00 0.00 H new ATOM 619 N SER A 43 25.529 7.746 -0.380 1.00 0.00 N ATOM 620 CA SER A 43 26.328 6.538 -0.543 1.00 0.00 C ATOM 621 C SER A 43 27.814 6.858 -0.436 1.00 0.00 C ATOM 622 O SER A 43 28.409 7.409 -1.362 1.00 0.00 O ATOM 623 CB SER A 43 26.031 5.881 -1.893 1.00 0.00 C ATOM 624 OG SER A 43 27.159 5.172 -2.374 1.00 0.00 O ATOM 0 H SER A 43 25.971 8.594 -0.734 1.00 0.00 H new ATOM 0 HA SER A 43 26.063 5.844 0.254 1.00 0.00 H new ATOM 0 HB2 SER A 43 25.186 5.200 -1.792 1.00 0.00 H new ATOM 0 HB3 SER A 43 25.741 6.643 -2.616 1.00 0.00 H new ATOM 0 HG SER A 43 26.943 4.760 -3.237 1.00 0.00 H new ATOM 630 N LYS A 44 28.409 6.513 0.701 1.00 0.00 N ATOM 631 CA LYS A 44 29.826 6.768 0.928 1.00 0.00 C ATOM 632 C LYS A 44 30.693 5.827 0.098 1.00 0.00 C ATOM 633 O LYS A 44 31.574 6.269 -0.641 1.00 0.00 O ATOM 634 CB LYS A 44 30.161 6.621 2.413 1.00 0.00 C ATOM 635 CG LYS A 44 30.336 7.951 3.129 1.00 0.00 C ATOM 636 CD LYS A 44 29.027 8.721 3.201 1.00 0.00 C ATOM 637 CE LYS A 44 27.904 7.859 3.755 1.00 0.00 C ATOM 638 NZ LYS A 44 28.331 7.102 4.962 1.00 0.00 N ATOM 0 H LYS A 44 27.932 6.057 1.479 1.00 0.00 H new ATOM 0 HA LYS A 44 30.039 7.791 0.616 1.00 0.00 H new ATOM 0 HB2 LYS A 44 29.368 6.055 2.902 1.00 0.00 H new ATOM 0 HB3 LYS A 44 31.077 6.039 2.515 1.00 0.00 H new ATOM 0 HG2 LYS A 44 30.712 7.776 4.137 1.00 0.00 H new ATOM 0 HG3 LYS A 44 31.084 8.550 2.609 1.00 0.00 H new ATOM 0 HD2 LYS A 44 29.156 9.602 3.830 1.00 0.00 H new ATOM 0 HD3 LYS A 44 28.758 9.077 2.207 1.00 0.00 H new ATOM 0 HE2 LYS A 44 27.051 8.490 4.005 1.00 0.00 H new ATOM 0 HE3 LYS A 44 27.570 7.161 2.988 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 27.524 6.996 5.609 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 28.674 6.162 4.679 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 29.095 7.618 5.443 1.00 0.00 H new ATOM 652 N LYS A 45 30.439 4.527 0.219 1.00 0.00 N ATOM 653 CA LYS A 45 31.199 3.529 -0.526 1.00 0.00 C ATOM 654 C LYS A 45 30.275 2.462 -1.104 1.00 0.00 C ATOM 655 O LYS A 45 29.080 2.437 -0.811 1.00 0.00 O ATOM 656 CB LYS A 45 32.255 2.880 0.369 1.00 0.00 C ATOM 657 CG LYS A 45 33.546 2.543 -0.364 1.00 0.00 C ATOM 658 CD LYS A 45 34.632 2.080 0.595 1.00 0.00 C ATOM 659 CE LYS A 45 34.553 2.811 1.926 1.00 0.00 C ATOM 660 NZ LYS A 45 35.672 2.439 2.834 1.00 0.00 N ATOM 0 H LYS A 45 29.714 4.141 0.824 1.00 0.00 H new ATOM 0 HA LYS A 45 31.701 4.035 -1.351 1.00 0.00 H new ATOM 0 HB2 LYS A 45 32.481 3.552 1.197 1.00 0.00 H new ATOM 0 HB3 LYS A 45 31.843 1.968 0.802 1.00 0.00 H new ATOM 0 HG2 LYS A 45 33.354 1.763 -1.100 1.00 0.00 H new ATOM 0 HG3 LYS A 45 33.893 3.419 -0.912 1.00 0.00 H new ATOM 0 HD2 LYS A 45 34.537 1.007 0.762 1.00 0.00 H new ATOM 0 HD3 LYS A 45 35.611 2.247 0.145 1.00 0.00 H new ATOM 0 HE2 LYS A 45 34.571 3.887 1.750 1.00 0.00 H new ATOM 0 HE3 LYS A 45 33.603 2.583 2.409 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 35.580 2.960 3.730 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 35.641 1.417 3.023 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 36.578 2.680 2.385 1.00 0.00 H new ATOM 674 N THR A 46 30.835 1.587 -1.932 1.00 0.00 N ATOM 675 CA THR A 46 30.058 0.523 -2.556 1.00 0.00 C ATOM 676 C THR A 46 30.680 -0.844 -2.291 1.00 0.00 C ATOM 677 O THR A 46 31.901 -1.000 -2.318 1.00 0.00 O ATOM 678 CB THR A 46 29.954 0.765 -4.063 1.00 0.00 C ATOM 679 OG1 THR A 46 28.950 -0.054 -4.635 1.00 0.00 O ATOM 680 CG2 THR A 46 31.247 0.492 -4.800 1.00 0.00 C ATOM 0 H THR A 46 31.823 1.594 -2.186 1.00 0.00 H new ATOM 0 HA THR A 46 29.060 0.533 -2.118 1.00 0.00 H new ATOM 0 HB THR A 46 29.708 1.821 -4.171 1.00 0.00 H new ATOM 0 HG1 THR A 46 28.898 0.117 -5.599 1.00 0.00 H new ATOM 0 HG21 THR A 46 31.107 0.682 -5.864 1.00 0.00 H new ATOM 0 HG22 THR A 46 32.030 1.145 -4.415 1.00 0.00 H new ATOM 0 HG23 THR A 46 31.537 -0.548 -4.653 1.00 0.00 H new ATOM 688 N MET A 47 29.828 -1.833 -2.038 1.00 0.00 N ATOM 689 CA MET A 47 30.285 -3.192 -1.771 1.00 0.00 C ATOM 690 C MET A 47 29.236 -4.211 -2.207 1.00 0.00 C ATOM 691 O MET A 47 29.567 -5.265 -2.752 1.00 0.00 O ATOM 692 CB MET A 47 30.595 -3.364 -0.283 1.00 0.00 C ATOM 693 CG MET A 47 31.819 -4.223 -0.013 1.00 0.00 C ATOM 694 SD MET A 47 31.727 -5.087 1.566 1.00 0.00 S ATOM 695 CE MET A 47 31.974 -3.729 2.707 1.00 0.00 C ATOM 0 H MET A 47 28.815 -1.718 -2.012 1.00 0.00 H new ATOM 0 HA MET A 47 31.195 -3.365 -2.346 1.00 0.00 H new ATOM 0 HB2 MET A 47 30.745 -2.381 0.164 1.00 0.00 H new ATOM 0 HB3 MET A 47 29.732 -3.811 0.210 1.00 0.00 H new ATOM 0 HG2 MET A 47 31.930 -4.952 -0.816 1.00 0.00 H new ATOM 0 HG3 MET A 47 32.709 -3.594 -0.027 1.00 0.00 H new ATOM 0 HE1 MET A 47 31.944 -4.103 3.730 1.00 0.00 H new ATOM 0 HE2 MET A 47 32.943 -3.267 2.518 1.00 0.00 H new ATOM 0 HE3 MET A 47 31.186 -2.989 2.568 1.00 0.00 H new ATOM 705 N LEU A 48 27.970 -3.887 -1.966 1.00 0.00 N ATOM 706 CA LEU A 48 26.868 -4.768 -2.334 1.00 0.00 C ATOM 707 C LEU A 48 25.534 -4.042 -2.214 1.00 0.00 C ATOM 708 O LEU A 48 25.022 -3.841 -1.112 1.00 0.00 O ATOM 709 CB LEU A 48 26.863 -6.018 -1.453 1.00 0.00 C ATOM 710 CG LEU A 48 27.096 -7.334 -2.197 1.00 0.00 C ATOM 711 CD1 LEU A 48 28.247 -8.104 -1.569 1.00 0.00 C ATOM 712 CD2 LEU A 48 25.829 -8.176 -2.199 1.00 0.00 C ATOM 0 H LEU A 48 27.681 -3.018 -1.516 1.00 0.00 H new ATOM 0 HA LEU A 48 27.009 -5.069 -3.372 1.00 0.00 H new ATOM 0 HB2 LEU A 48 27.633 -5.909 -0.689 1.00 0.00 H new ATOM 0 HB3 LEU A 48 25.906 -6.075 -0.935 1.00 0.00 H new ATOM 0 HG LEU A 48 27.358 -7.105 -3.230 1.00 0.00 H new ATOM 0 HD11 LEU A 48 28.399 -9.038 -2.111 1.00 0.00 H new ATOM 0 HD12 LEU A 48 29.156 -7.504 -1.618 1.00 0.00 H new ATOM 0 HD13 LEU A 48 28.013 -8.323 -0.527 1.00 0.00 H new ATOM 0 HD21 LEU A 48 26.013 -9.109 -2.733 1.00 0.00 H new ATOM 0 HD22 LEU A 48 25.537 -8.397 -1.172 1.00 0.00 H new ATOM 0 HD23 LEU A 48 25.028 -7.627 -2.694 1.00 0.00 H new ATOM 724 N VAL A 49 24.978 -3.647 -3.353 1.00 0.00 N ATOM 725 CA VAL A 49 23.705 -2.939 -3.374 1.00 0.00 C ATOM 726 C VAL A 49 22.975 -3.163 -4.695 1.00 0.00 C ATOM 727 O VAL A 49 23.264 -4.116 -5.418 1.00 0.00 O ATOM 728 CB VAL A 49 23.899 -1.428 -3.146 1.00 0.00 C ATOM 729 CG1 VAL A 49 23.186 -0.984 -1.877 1.00 0.00 C ATOM 730 CG2 VAL A 49 25.379 -1.083 -3.081 1.00 0.00 C ATOM 0 H VAL A 49 25.389 -3.805 -4.273 1.00 0.00 H new ATOM 0 HA VAL A 49 23.102 -3.342 -2.560 1.00 0.00 H new ATOM 0 HB VAL A 49 23.461 -0.893 -3.989 1.00 0.00 H new ATOM 0 HG11 VAL A 49 23.334 0.086 -1.732 1.00 0.00 H new ATOM 0 HG12 VAL A 49 22.120 -1.194 -1.966 1.00 0.00 H new ATOM 0 HG13 VAL A 49 23.593 -1.526 -1.023 1.00 0.00 H new ATOM 0 HG21 VAL A 49 25.496 -0.011 -2.920 1.00 0.00 H new ATOM 0 HG22 VAL A 49 25.844 -1.627 -2.258 1.00 0.00 H new ATOM 0 HG23 VAL A 49 25.859 -1.363 -4.018 1.00 0.00 H new ATOM 740 N GLN A 50 22.022 -2.289 -5.001 1.00 0.00 N ATOM 741 CA GLN A 50 21.249 -2.407 -6.232 1.00 0.00 C ATOM 742 C GLN A 50 20.371 -3.652 -6.190 1.00 0.00 C ATOM 743 O GLN A 50 20.775 -4.688 -5.661 1.00 0.00 O ATOM 744 CB GLN A 50 22.181 -2.456 -7.444 1.00 0.00 C ATOM 745 CG GLN A 50 22.393 -1.100 -8.097 1.00 0.00 C ATOM 746 CD GLN A 50 23.137 -0.132 -7.197 1.00 0.00 C ATOM 747 OE1 GLN A 50 24.202 -0.450 -6.669 1.00 0.00 O ATOM 748 NE2 GLN A 50 22.577 1.059 -7.017 1.00 0.00 N ATOM 0 H GLN A 50 21.767 -1.494 -4.416 1.00 0.00 H new ATOM 0 HA GLN A 50 20.607 -1.531 -6.322 1.00 0.00 H new ATOM 0 HB2 GLN A 50 23.146 -2.857 -7.135 1.00 0.00 H new ATOM 0 HB3 GLN A 50 21.770 -3.146 -8.181 1.00 0.00 H new ATOM 0 HG2 GLN A 50 22.950 -1.230 -9.025 1.00 0.00 H new ATOM 0 HG3 GLN A 50 21.426 -0.673 -8.363 1.00 0.00 H new ATOM 0 HE21 GLN A 50 21.693 1.281 -7.474 1.00 0.00 H new ATOM 0 HE22 GLN A 50 23.031 1.751 -6.422 1.00 0.00 H new ATOM 757 N LYS A 51 19.164 -3.542 -6.734 1.00 0.00 N ATOM 758 CA LYS A 51 18.229 -4.660 -6.739 1.00 0.00 C ATOM 759 C LYS A 51 17.853 -5.028 -5.309 1.00 0.00 C ATOM 760 O LYS A 51 18.462 -4.539 -4.358 1.00 0.00 O ATOM 761 CB LYS A 51 18.837 -5.864 -7.461 1.00 0.00 C ATOM 762 CG LYS A 51 19.589 -5.493 -8.730 1.00 0.00 C ATOM 763 CD LYS A 51 19.614 -6.640 -9.729 1.00 0.00 C ATOM 764 CE LYS A 51 18.239 -7.266 -9.906 1.00 0.00 C ATOM 765 NZ LYS A 51 17.171 -6.238 -10.052 1.00 0.00 N ATOM 0 H LYS A 51 18.811 -2.693 -7.176 1.00 0.00 H new ATOM 0 HA LYS A 51 17.327 -4.362 -7.274 1.00 0.00 H new ATOM 0 HB2 LYS A 51 19.517 -6.379 -6.783 1.00 0.00 H new ATOM 0 HB3 LYS A 51 18.043 -6.567 -7.711 1.00 0.00 H new ATOM 0 HG2 LYS A 51 19.120 -4.622 -9.188 1.00 0.00 H new ATOM 0 HG3 LYS A 51 20.611 -5.209 -8.477 1.00 0.00 H new ATOM 0 HD2 LYS A 51 19.974 -6.276 -10.691 1.00 0.00 H new ATOM 0 HD3 LYS A 51 20.319 -7.400 -9.392 1.00 0.00 H new ATOM 0 HE2 LYS A 51 18.245 -7.910 -10.785 1.00 0.00 H new ATOM 0 HE3 LYS A 51 18.016 -7.900 -9.048 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 16.420 -6.603 -10.672 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 16.771 -6.018 -9.118 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 17.575 -5.375 -10.468 1.00 0.00 H new ATOM 779 N ASN A 52 16.843 -5.875 -5.154 1.00 0.00 N ATOM 780 CA ASN A 52 16.398 -6.275 -3.825 1.00 0.00 C ATOM 781 C ASN A 52 15.611 -7.580 -3.869 1.00 0.00 C ATOM 782 O ASN A 52 14.398 -7.572 -4.071 1.00 0.00 O ATOM 783 CB ASN A 52 15.535 -5.171 -3.219 1.00 0.00 C ATOM 784 CG ASN A 52 15.217 -5.413 -1.759 1.00 0.00 C ATOM 785 OD1 ASN A 52 15.143 -6.556 -1.309 1.00 0.00 O ATOM 786 ND2 ASN A 52 15.028 -4.328 -1.017 1.00 0.00 N ATOM 0 H ASN A 52 16.321 -6.295 -5.923 1.00 0.00 H new ATOM 0 HA ASN A 52 17.281 -6.436 -3.206 1.00 0.00 H new ATOM 0 HB2 ASN A 52 16.050 -4.216 -3.321 1.00 0.00 H new ATOM 0 HB3 ASN A 52 14.604 -5.093 -3.781 1.00 0.00 H new ATOM 0 HD22 ASN A 52 15.101 -3.402 -1.439 1.00 0.00 H new ATOM 791 N VAL A 53 16.308 -8.695 -3.665 1.00 0.00 N ATOM 792 CA VAL A 53 15.675 -10.012 -3.669 1.00 0.00 C ATOM 793 C VAL A 53 14.401 -10.013 -4.515 1.00 0.00 C ATOM 794 O VAL A 53 14.366 -9.423 -5.595 1.00 0.00 O ATOM 795 CB VAL A 53 15.344 -10.467 -2.234 1.00 0.00 C ATOM 796 CG1 VAL A 53 16.601 -10.489 -1.377 1.00 0.00 C ATOM 797 CG2 VAL A 53 14.287 -9.564 -1.616 1.00 0.00 C ATOM 0 H VAL A 53 17.313 -8.713 -3.494 1.00 0.00 H new ATOM 0 HA VAL A 53 16.385 -10.712 -4.109 1.00 0.00 H new ATOM 0 HB VAL A 53 14.943 -11.480 -2.279 1.00 0.00 H new ATOM 0 HG11 VAL A 53 16.347 -10.813 -0.367 1.00 0.00 H new ATOM 0 HG12 VAL A 53 17.324 -11.181 -1.809 1.00 0.00 H new ATOM 0 HG13 VAL A 53 17.033 -9.489 -1.340 1.00 0.00 H new ATOM 0 HG21 VAL A 53 14.067 -9.902 -0.603 1.00 0.00 H new ATOM 0 HG22 VAL A 53 14.657 -8.539 -1.585 1.00 0.00 H new ATOM 0 HG23 VAL A 53 13.378 -9.603 -2.217 1.00 0.00 H new ATOM 807 N THR A 54 13.354 -10.673 -4.022 1.00 0.00 N ATOM 808 CA THR A 54 12.084 -10.737 -4.739 1.00 0.00 C ATOM 809 C THR A 54 11.750 -9.390 -5.373 1.00 0.00 C ATOM 810 O THR A 54 11.026 -9.325 -6.366 1.00 0.00 O ATOM 811 CB THR A 54 10.959 -11.158 -3.792 1.00 0.00 C ATOM 812 OG1 THR A 54 9.864 -11.687 -4.519 1.00 0.00 O ATOM 813 CG2 THR A 54 10.437 -10.022 -2.938 1.00 0.00 C ATOM 0 H THR A 54 13.361 -11.169 -3.131 1.00 0.00 H new ATOM 0 HA THR A 54 12.180 -11.480 -5.531 1.00 0.00 H new ATOM 0 HB THR A 54 11.399 -11.910 -3.137 1.00 0.00 H new ATOM 0 HG1 THR A 54 9.155 -11.952 -3.896 1.00 0.00 H new ATOM 0 HG21 THR A 54 9.641 -10.390 -2.290 1.00 0.00 H new ATOM 0 HG22 THR A 54 11.247 -9.624 -2.327 1.00 0.00 H new ATOM 0 HG23 THR A 54 10.046 -9.233 -3.581 1.00 0.00 H new ATOM 821 N SER A 55 12.283 -8.320 -4.785 1.00 0.00 N ATOM 822 CA SER A 55 12.053 -6.964 -5.276 1.00 0.00 C ATOM 823 C SER A 55 10.954 -6.278 -4.473 1.00 0.00 C ATOM 824 O SER A 55 11.184 -5.245 -3.845 1.00 0.00 O ATOM 825 CB SER A 55 11.690 -6.976 -6.763 1.00 0.00 C ATOM 826 OG SER A 55 12.128 -5.791 -7.405 1.00 0.00 O ATOM 0 H SER A 55 12.882 -8.368 -3.961 1.00 0.00 H new ATOM 0 HA SER A 55 12.978 -6.402 -5.151 1.00 0.00 H new ATOM 0 HB2 SER A 55 12.143 -7.843 -7.244 1.00 0.00 H new ATOM 0 HB3 SER A 55 10.611 -7.077 -6.876 1.00 0.00 H new ATOM 0 HG SER A 55 11.886 -5.824 -8.354 1.00 0.00 H new ATOM 832 N GLU A 56 9.760 -6.859 -4.495 1.00 0.00 N ATOM 833 CA GLU A 56 8.626 -6.300 -3.767 1.00 0.00 C ATOM 834 C GLU A 56 8.367 -7.072 -2.477 1.00 0.00 C ATOM 835 O GLU A 56 7.760 -8.143 -2.496 1.00 0.00 O ATOM 836 CB GLU A 56 7.373 -6.319 -4.643 1.00 0.00 C ATOM 837 CG GLU A 56 7.225 -5.088 -5.523 1.00 0.00 C ATOM 838 CD GLU A 56 5.903 -4.378 -5.311 1.00 0.00 C ATOM 839 OE1 GLU A 56 5.235 -4.657 -4.293 1.00 0.00 O ATOM 840 OE2 GLU A 56 5.535 -3.541 -6.162 1.00 0.00 O ATOM 0 H GLU A 56 9.552 -7.716 -5.008 1.00 0.00 H new ATOM 0 HA GLU A 56 8.868 -5.269 -3.508 1.00 0.00 H new ATOM 0 HB2 GLU A 56 7.396 -7.206 -5.275 1.00 0.00 H new ATOM 0 HB3 GLU A 56 6.494 -6.406 -4.004 1.00 0.00 H new ATOM 0 HG2 GLU A 56 8.042 -4.397 -5.316 1.00 0.00 H new ATOM 0 HG3 GLU A 56 7.313 -5.381 -6.569 1.00 0.00 H new ATOM 847 N SER A 57 8.828 -6.521 -1.358 1.00 0.00 N ATOM 848 CA SER A 57 8.641 -7.160 -0.060 1.00 0.00 C ATOM 849 C SER A 57 7.385 -6.636 0.630 1.00 0.00 C ATOM 850 O SER A 57 6.371 -7.330 0.700 1.00 0.00 O ATOM 851 CB SER A 57 9.863 -6.925 0.830 1.00 0.00 C ATOM 852 OG SER A 57 11.057 -7.302 0.168 1.00 0.00 O ATOM 0 H SER A 57 9.333 -5.635 -1.324 1.00 0.00 H new ATOM 0 HA SER A 57 8.522 -8.231 -0.225 1.00 0.00 H new ATOM 0 HB2 SER A 57 9.916 -5.873 1.110 1.00 0.00 H new ATOM 0 HB3 SER A 57 9.760 -7.496 1.753 1.00 0.00 H new ATOM 0 HG SER A 57 11.823 -7.140 0.758 1.00 0.00 H new ATOM 858 N THR A 58 7.458 -5.408 1.137 1.00 0.00 N ATOM 859 CA THR A 58 6.323 -4.795 1.818 1.00 0.00 C ATOM 860 C THR A 58 5.094 -4.789 0.915 1.00 0.00 C ATOM 861 O THR A 58 5.211 -4.680 -0.305 1.00 0.00 O ATOM 862 CB THR A 58 6.665 -3.364 2.241 1.00 0.00 C ATOM 863 OG1 THR A 58 7.750 -2.864 1.481 1.00 0.00 O ATOM 864 CG2 THR A 58 7.032 -3.241 3.705 1.00 0.00 C ATOM 0 H THR A 58 8.290 -4.820 1.089 1.00 0.00 H new ATOM 0 HA THR A 58 6.101 -5.384 2.708 1.00 0.00 H new ATOM 0 HB THR A 58 5.758 -2.786 2.063 1.00 0.00 H new ATOM 0 HG1 THR A 58 7.953 -1.948 1.764 1.00 0.00 H new ATOM 0 HG21 THR A 58 7.263 -2.201 3.936 1.00 0.00 H new ATOM 0 HG22 THR A 58 6.195 -3.572 4.319 1.00 0.00 H new ATOM 0 HG23 THR A 58 7.903 -3.861 3.915 1.00 0.00 H new ATOM 872 N CYS A 59 3.915 -4.910 1.518 1.00 0.00 N ATOM 873 CA CYS A 59 2.670 -4.919 0.759 1.00 0.00 C ATOM 874 C CYS A 59 1.462 -4.829 1.684 1.00 0.00 C ATOM 875 O CYS A 59 1.393 -5.516 2.704 1.00 0.00 O ATOM 876 CB CYS A 59 2.581 -6.182 -0.102 1.00 0.00 C ATOM 877 SG CYS A 59 2.442 -7.731 0.850 1.00 0.00 S ATOM 0 H CYS A 59 3.796 -5.003 2.527 1.00 0.00 H new ATOM 0 HA CYS A 59 2.666 -4.044 0.108 1.00 0.00 H new ATOM 0 HB2 CYS A 59 1.719 -6.097 -0.763 1.00 0.00 H new ATOM 0 HB3 CYS A 59 3.465 -6.238 -0.737 1.00 0.00 H new ATOM 882 N CYS A 60 0.513 -3.974 1.320 1.00 0.00 N ATOM 883 CA CYS A 60 -0.696 -3.785 2.113 1.00 0.00 C ATOM 884 C CYS A 60 -1.853 -4.607 1.553 1.00 0.00 C ATOM 885 O CYS A 60 -2.416 -4.275 0.510 1.00 0.00 O ATOM 886 CB CYS A 60 -1.081 -2.306 2.145 1.00 0.00 C ATOM 887 SG CYS A 60 -0.365 -1.378 3.540 1.00 0.00 S ATOM 0 H CYS A 60 0.558 -3.399 0.479 1.00 0.00 H new ATOM 0 HA CYS A 60 -0.490 -4.126 3.127 1.00 0.00 H new ATOM 0 HB2 CYS A 60 -0.764 -1.839 1.212 1.00 0.00 H new ATOM 0 HB3 CYS A 60 -2.167 -2.226 2.189 1.00 0.00 H new ATOM 892 N VAL A 61 -2.206 -5.677 2.258 1.00 0.00 N ATOM 893 CA VAL A 61 -3.301 -6.545 1.839 1.00 0.00 C ATOM 894 C VAL A 61 -4.519 -6.347 2.734 1.00 0.00 C ATOM 895 O VAL A 61 -4.853 -7.212 3.543 1.00 0.00 O ATOM 896 CB VAL A 61 -2.891 -8.029 1.871 1.00 0.00 C ATOM 897 CG1 VAL A 61 -3.852 -8.866 1.040 1.00 0.00 C ATOM 898 CG2 VAL A 61 -1.460 -8.201 1.381 1.00 0.00 C ATOM 0 H VAL A 61 -1.749 -5.964 3.123 1.00 0.00 H new ATOM 0 HA VAL A 61 -3.551 -6.272 0.814 1.00 0.00 H new ATOM 0 HB VAL A 61 -2.940 -8.378 2.903 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -3.547 -9.912 1.074 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -4.860 -8.769 1.442 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -3.838 -8.518 0.007 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -1.189 -9.256 1.411 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -1.379 -7.835 0.357 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -0.785 -7.635 2.023 1.00 0.00 H new ATOM 908 N ALA A 62 -5.168 -5.193 2.584 1.00 0.00 N ATOM 909 CA ALA A 62 -6.347 -4.846 3.377 1.00 0.00 C ATOM 910 C ALA A 62 -6.499 -5.739 4.604 1.00 0.00 C ATOM 911 O ALA A 62 -6.906 -6.896 4.497 1.00 0.00 O ATOM 912 CB ALA A 62 -7.609 -4.908 2.530 1.00 0.00 C ATOM 0 H ALA A 62 -4.893 -4.476 1.913 1.00 0.00 H new ATOM 0 HA ALA A 62 -6.201 -3.824 3.726 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -8.472 -4.646 3.143 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -7.526 -4.205 1.701 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -7.735 -5.917 2.139 1.00 0.00 H new ATOM 918 N LYS A 63 -6.201 -5.183 5.773 1.00 0.00 N ATOM 919 CA LYS A 63 -6.332 -5.913 7.021 1.00 0.00 C ATOM 920 C LYS A 63 -7.751 -6.439 7.146 1.00 0.00 C ATOM 921 O LYS A 63 -7.994 -7.514 7.694 1.00 0.00 O ATOM 922 CB LYS A 63 -6.015 -4.994 8.198 1.00 0.00 C ATOM 923 CG LYS A 63 -5.757 -5.734 9.496 1.00 0.00 C ATOM 924 CD LYS A 63 -5.520 -4.768 10.644 1.00 0.00 C ATOM 925 CE LYS A 63 -5.269 -5.502 11.952 1.00 0.00 C ATOM 926 NZ LYS A 63 -4.519 -4.659 12.925 1.00 0.00 N ATOM 0 H LYS A 63 -5.866 -4.225 5.879 1.00 0.00 H new ATOM 0 HA LYS A 63 -5.631 -6.748 7.028 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -5.140 -4.393 7.953 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -6.846 -4.303 8.343 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -6.608 -6.375 9.727 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -4.890 -6.384 9.380 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -4.666 -4.131 10.414 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -6.385 -4.114 10.754 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -6.222 -5.801 12.389 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -4.708 -6.415 11.754 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -4.368 -5.194 13.804 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -3.599 -4.394 12.518 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -5.066 -3.799 13.133 1.00 0.00 H new ATOM 940 N SER A 64 -8.678 -5.660 6.610 1.00 0.00 N ATOM 941 CA SER A 64 -10.089 -6.007 6.620 1.00 0.00 C ATOM 942 C SER A 64 -10.745 -5.473 5.352 1.00 0.00 C ATOM 943 O SER A 64 -10.610 -4.295 5.031 1.00 0.00 O ATOM 944 CB SER A 64 -10.775 -5.434 7.861 1.00 0.00 C ATOM 945 OG SER A 64 -10.489 -6.216 9.008 1.00 0.00 O ATOM 0 H SER A 64 -8.472 -4.770 6.156 1.00 0.00 H new ATOM 0 HA SER A 64 -10.193 -7.092 6.651 1.00 0.00 H new ATOM 0 HB2 SER A 64 -10.442 -4.409 8.024 1.00 0.00 H new ATOM 0 HB3 SER A 64 -11.853 -5.398 7.701 1.00 0.00 H new ATOM 0 HG SER A 64 -9.749 -6.828 8.811 1.00 0.00 H new ATOM 951 N TYR A 65 -11.423 -6.345 4.617 1.00 0.00 N ATOM 952 CA TYR A 65 -12.060 -5.945 3.365 1.00 0.00 C ATOM 953 C TYR A 65 -13.574 -5.944 3.457 1.00 0.00 C ATOM 954 O TYR A 65 -14.164 -6.626 4.294 1.00 0.00 O ATOM 955 CB TYR A 65 -11.651 -6.895 2.239 1.00 0.00 C ATOM 956 CG TYR A 65 -11.581 -8.346 2.658 1.00 0.00 C ATOM 957 CD1 TYR A 65 -10.414 -8.884 3.186 1.00 0.00 C ATOM 958 CD2 TYR A 65 -12.685 -9.179 2.523 1.00 0.00 C ATOM 959 CE1 TYR A 65 -10.349 -10.211 3.566 1.00 0.00 C ATOM 960 CE2 TYR A 65 -12.628 -10.506 2.901 1.00 0.00 C ATOM 961 CZ TYR A 65 -11.458 -11.017 3.422 1.00 0.00 C ATOM 962 OH TYR A 65 -11.397 -12.339 3.799 1.00 0.00 O ATOM 0 H TYR A 65 -11.547 -7.327 4.862 1.00 0.00 H new ATOM 0 HA TYR A 65 -11.725 -4.928 3.159 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -12.362 -6.798 1.418 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -10.677 -6.590 1.855 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -9.544 -8.255 3.301 1.00 0.00 H new ATOM 0 HD2 TYR A 65 -13.603 -8.782 2.116 1.00 0.00 H new ATOM 0 HE1 TYR A 65 -9.434 -10.615 3.974 1.00 0.00 H new ATOM 0 HE2 TYR A 65 -13.495 -11.140 2.789 1.00 0.00 H new ATOM 0 HH TYR A 65 -12.263 -12.767 3.633 1.00 0.00 H new ATOM 972 N ASN A 66 -14.198 -5.213 2.539 1.00 0.00 N ATOM 973 CA ASN A 66 -15.649 -5.167 2.461 1.00 0.00 C ATOM 974 C ASN A 66 -16.039 -5.389 1.022 1.00 0.00 C ATOM 975 O ASN A 66 -17.085 -4.954 0.540 1.00 0.00 O ATOM 976 CB ASN A 66 -16.201 -3.848 2.985 1.00 0.00 C ATOM 977 CG ASN A 66 -17.184 -4.042 4.121 1.00 0.00 C ATOM 978 OD1 ASN A 66 -16.957 -3.586 5.242 1.00 0.00 O ATOM 979 ND2 ASN A 66 -18.287 -4.721 3.831 1.00 0.00 N ATOM 0 H ASN A 66 -13.719 -4.645 1.840 1.00 0.00 H new ATOM 0 HA ASN A 66 -16.076 -5.946 3.092 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -15.376 -3.222 3.325 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -16.692 -3.314 2.171 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -18.990 -4.884 4.552 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -18.432 -5.080 2.887 1.00 0.00 H new ATOM 986 N ARG A 67 -15.138 -6.089 0.370 1.00 0.00 N ATOM 987 CA ARG A 67 -15.243 -6.457 -1.031 1.00 0.00 C ATOM 988 C ARG A 67 -16.580 -6.061 -1.631 1.00 0.00 C ATOM 989 O ARG A 67 -17.645 -6.451 -1.152 1.00 0.00 O ATOM 990 CB ARG A 67 -15.021 -7.956 -1.169 1.00 0.00 C ATOM 991 CG ARG A 67 -15.687 -8.730 -0.060 1.00 0.00 C ATOM 992 CD ARG A 67 -16.123 -10.114 -0.509 1.00 0.00 C ATOM 993 NE ARG A 67 -17.084 -10.707 0.417 1.00 0.00 N ATOM 994 CZ ARG A 67 -17.806 -11.788 0.140 1.00 0.00 C ATOM 995 NH1 ARG A 67 -17.687 -12.387 -1.037 1.00 0.00 N ATOM 996 NH2 ARG A 67 -18.653 -12.268 1.040 1.00 0.00 N ATOM 0 H ARG A 67 -14.284 -6.430 0.811 1.00 0.00 H new ATOM 0 HA ARG A 67 -14.477 -5.913 -1.584 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -15.409 -8.293 -2.130 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -13.951 -8.166 -1.166 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -14.999 -8.822 0.780 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -16.555 -8.176 0.298 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -16.567 -10.051 -1.502 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -15.250 -10.761 -0.591 1.00 0.00 H new ATOM 0 HE ARG A 67 -17.208 -10.266 1.328 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -17.040 -12.018 -1.734 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -18.243 -13.216 -1.246 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -18.751 -11.808 1.945 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -19.207 -13.098 0.827 1.00 0.00 H new ATOM 1010 N VAL A 68 -16.493 -5.289 -2.695 1.00 0.00 N ATOM 1011 CA VAL A 68 -17.664 -4.817 -3.415 1.00 0.00 C ATOM 1012 C VAL A 68 -17.514 -5.100 -4.898 1.00 0.00 C ATOM 1013 O VAL A 68 -17.754 -4.230 -5.735 1.00 0.00 O ATOM 1014 CB VAL A 68 -17.886 -3.303 -3.217 1.00 0.00 C ATOM 1015 CG1 VAL A 68 -17.769 -2.914 -1.750 1.00 0.00 C ATOM 1016 CG2 VAL A 68 -16.902 -2.501 -4.063 1.00 0.00 C ATOM 0 H VAL A 68 -15.608 -4.969 -3.088 1.00 0.00 H new ATOM 0 HA VAL A 68 -18.526 -5.350 -3.014 1.00 0.00 H new ATOM 0 HB VAL A 68 -18.899 -3.069 -3.545 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -17.930 -1.841 -1.644 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -18.518 -3.453 -1.170 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -16.774 -3.169 -1.384 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -17.074 -1.436 -3.910 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -15.882 -2.750 -3.769 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -17.045 -2.744 -5.116 1.00 0.00 H new ATOM 1026 N THR A 69 -17.096 -6.317 -5.211 1.00 0.00 N ATOM 1027 CA THR A 69 -16.885 -6.725 -6.593 1.00 0.00 C ATOM 1028 C THR A 69 -17.637 -5.822 -7.552 1.00 0.00 C ATOM 1029 O THR A 69 -18.862 -5.717 -7.501 1.00 0.00 O ATOM 1030 CB THR A 69 -17.309 -8.171 -6.823 1.00 0.00 C ATOM 1031 OG1 THR A 69 -16.394 -9.068 -6.217 1.00 0.00 O ATOM 1032 CG2 THR A 69 -17.392 -8.515 -8.293 1.00 0.00 C ATOM 0 H THR A 69 -16.895 -7.043 -4.523 1.00 0.00 H new ATOM 0 HA THR A 69 -15.816 -6.640 -6.786 1.00 0.00 H new ATOM 0 HB THR A 69 -18.298 -8.271 -6.375 1.00 0.00 H new ATOM 0 HG1 THR A 69 -15.493 -8.900 -6.564 1.00 0.00 H new ATOM 0 HG21 THR A 69 -17.698 -9.555 -8.407 1.00 0.00 H new ATOM 0 HG22 THR A 69 -18.122 -7.867 -8.778 1.00 0.00 H new ATOM 0 HG23 THR A 69 -16.416 -8.371 -8.756 1.00 0.00 H new ATOM 1040 N VAL A 70 -16.888 -5.166 -8.418 1.00 0.00 N ATOM 1041 CA VAL A 70 -17.472 -4.257 -9.391 1.00 0.00 C ATOM 1042 C VAL A 70 -17.408 -4.800 -10.794 1.00 0.00 C ATOM 1043 O VAL A 70 -17.228 -5.996 -11.021 1.00 0.00 O ATOM 1044 CB VAL A 70 -16.772 -2.894 -9.399 1.00 0.00 C ATOM 1045 CG1 VAL A 70 -17.794 -1.768 -9.377 1.00 0.00 C ATOM 1046 CG2 VAL A 70 -15.798 -2.778 -8.236 1.00 0.00 C ATOM 0 H VAL A 70 -15.872 -5.245 -8.469 1.00 0.00 H new ATOM 0 HA VAL A 70 -18.511 -4.146 -9.082 1.00 0.00 H new ATOM 0 HB VAL A 70 -16.197 -2.808 -10.321 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -17.278 -0.808 -9.383 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -18.435 -1.841 -10.256 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -18.403 -1.847 -8.476 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -15.314 -1.802 -8.263 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -16.339 -2.889 -7.296 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -15.043 -3.560 -8.314 1.00 0.00 H new ATOM 1056 N MET A 71 -17.574 -3.886 -11.731 1.00 0.00 N ATOM 1057 CA MET A 71 -17.558 -4.219 -13.135 1.00 0.00 C ATOM 1058 C MET A 71 -16.484 -5.245 -13.446 1.00 0.00 C ATOM 1059 O MET A 71 -15.372 -5.179 -12.922 1.00 0.00 O ATOM 1060 CB MET A 71 -17.370 -2.968 -13.988 1.00 0.00 C ATOM 1061 CG MET A 71 -18.684 -2.367 -14.451 1.00 0.00 C ATOM 1062 SD MET A 71 -18.555 -1.493 -16.026 1.00 0.00 S ATOM 1063 CE MET A 71 -16.802 -1.135 -16.097 1.00 0.00 C ATOM 0 H MET A 71 -17.723 -2.896 -11.537 1.00 0.00 H new ATOM 0 HA MET A 71 -18.524 -4.660 -13.381 1.00 0.00 H new ATOM 0 HB2 MET A 71 -16.817 -2.223 -13.415 1.00 0.00 H new ATOM 0 HB3 MET A 71 -16.763 -3.216 -14.859 1.00 0.00 H new ATOM 0 HG2 MET A 71 -19.426 -3.160 -14.544 1.00 0.00 H new ATOM 0 HG3 MET A 71 -19.048 -1.677 -13.690 1.00 0.00 H new ATOM 0 HE1 MET A 71 -16.655 -0.064 -16.236 1.00 0.00 H new ATOM 0 HE2 MET A 71 -16.329 -1.448 -15.166 1.00 0.00 H new ATOM 0 HE3 MET A 71 -16.354 -1.674 -16.931 1.00 0.00 H new ATOM 1073 N GLY A 72 -16.829 -6.204 -14.294 1.00 0.00 N ATOM 1074 CA GLY A 72 -15.889 -7.241 -14.650 1.00 0.00 C ATOM 1075 C GLY A 72 -15.591 -8.147 -13.474 1.00 0.00 C ATOM 1076 O GLY A 72 -14.681 -8.974 -13.527 1.00 0.00 O ATOM 0 H GLY A 72 -17.743 -6.280 -14.740 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -16.292 -7.832 -15.473 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -14.963 -6.788 -15.006 1.00 0.00 H new ATOM 1080 N GLY A 73 -16.366 -7.981 -12.406 1.00 0.00 N ATOM 1081 CA GLY A 73 -16.179 -8.785 -11.215 1.00 0.00 C ATOM 1082 C GLY A 73 -14.987 -8.338 -10.397 1.00 0.00 C ATOM 1083 O GLY A 73 -14.383 -9.134 -9.678 1.00 0.00 O ATOM 0 H GLY A 73 -17.123 -7.300 -12.346 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -17.078 -8.733 -10.600 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -16.049 -9.829 -11.501 1.00 0.00 H new ATOM 1087 N PHE A 74 -14.652 -7.057 -10.500 1.00 0.00 N ATOM 1088 CA PHE A 74 -13.531 -6.503 -9.756 1.00 0.00 C ATOM 1089 C PHE A 74 -13.593 -6.947 -8.300 1.00 0.00 C ATOM 1090 O PHE A 74 -14.527 -7.640 -7.898 1.00 0.00 O ATOM 1091 CB PHE A 74 -13.544 -4.975 -9.841 1.00 0.00 C ATOM 1092 CG PHE A 74 -13.133 -4.439 -11.185 1.00 0.00 C ATOM 1093 CD1 PHE A 74 -12.138 -5.063 -11.921 1.00 0.00 C ATOM 1094 CD2 PHE A 74 -13.744 -3.311 -11.711 1.00 0.00 C ATOM 1095 CE1 PHE A 74 -11.759 -4.571 -13.156 1.00 0.00 C ATOM 1096 CE2 PHE A 74 -13.369 -2.816 -12.946 1.00 0.00 C ATOM 1097 CZ PHE A 74 -12.376 -3.446 -13.669 1.00 0.00 C ATOM 0 H PHE A 74 -15.141 -6.385 -11.091 1.00 0.00 H new ATOM 0 HA PHE A 74 -12.604 -6.872 -10.196 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -14.546 -4.616 -9.608 1.00 0.00 H new ATOM 0 HB3 PHE A 74 -12.876 -4.572 -9.080 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -11.653 -5.943 -11.525 1.00 0.00 H new ATOM 0 HD2 PHE A 74 -14.521 -2.814 -11.150 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -10.981 -5.065 -13.719 1.00 0.00 H new ATOM 0 HE2 PHE A 74 -13.853 -1.937 -13.345 1.00 0.00 H new ATOM 0 HZ PHE A 74 -12.082 -3.060 -14.634 1.00 0.00 H new ATOM 1107 N LYS A 75 -12.601 -6.546 -7.512 1.00 0.00 N ATOM 1108 CA LYS A 75 -12.560 -6.910 -6.100 1.00 0.00 C ATOM 1109 C LYS A 75 -11.735 -5.911 -5.294 1.00 0.00 C ATOM 1110 O LYS A 75 -10.514 -6.036 -5.188 1.00 0.00 O ATOM 1111 CB LYS A 75 -11.988 -8.320 -5.924 1.00 0.00 C ATOM 1112 CG LYS A 75 -12.382 -9.287 -7.030 1.00 0.00 C ATOM 1113 CD LYS A 75 -11.570 -9.053 -8.294 1.00 0.00 C ATOM 1114 CE LYS A 75 -10.822 -10.309 -8.716 1.00 0.00 C ATOM 1115 NZ LYS A 75 -11.251 -10.792 -10.057 1.00 0.00 N ATOM 0 H LYS A 75 -11.818 -5.972 -7.825 1.00 0.00 H new ATOM 0 HA LYS A 75 -13.583 -6.891 -5.725 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -10.901 -8.258 -5.880 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -12.324 -8.721 -4.968 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -12.236 -10.311 -6.687 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -13.443 -9.174 -7.252 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -12.232 -8.734 -9.099 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -10.859 -8.244 -8.127 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -9.751 -10.105 -8.730 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -10.988 -11.094 -7.978 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -10.716 -11.649 -10.305 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -12.267 -11.011 -10.038 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -11.069 -10.053 -10.766 1.00 0.00 H new ATOM 1129 N VAL A 76 -12.418 -4.929 -4.718 1.00 0.00 N ATOM 1130 CA VAL A 76 -11.768 -3.907 -3.902 1.00 0.00 C ATOM 1131 C VAL A 76 -11.768 -4.319 -2.473 1.00 0.00 C ATOM 1132 O VAL A 76 -11.481 -3.518 -1.583 1.00 0.00 O ATOM 1133 CB VAL A 76 -12.518 -2.562 -3.995 1.00 0.00 C ATOM 1134 CG1 VAL A 76 -12.460 -2.043 -5.421 1.00 0.00 C ATOM 1135 CG2 VAL A 76 -13.962 -2.804 -3.574 1.00 0.00 C ATOM 0 H VAL A 76 -13.428 -4.818 -4.801 1.00 0.00 H new ATOM 0 HA VAL A 76 -10.750 -3.792 -4.276 1.00 0.00 H new ATOM 0 HB VAL A 76 -12.060 -1.817 -3.344 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -12.990 -1.093 -5.484 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -11.420 -1.898 -5.713 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -12.928 -2.765 -6.090 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -14.519 -1.869 -3.630 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -14.417 -3.537 -4.240 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -13.985 -3.179 -2.551 1.00 0.00 H new ATOM 1145 N GLU A 77 -12.128 -5.564 -2.261 1.00 0.00 N ATOM 1146 CA GLU A 77 -12.226 -6.090 -0.909 1.00 0.00 C ATOM 1147 C GLU A 77 -12.523 -4.901 -0.030 1.00 0.00 C ATOM 1148 O GLU A 77 -11.940 -4.719 1.034 1.00 0.00 O ATOM 1149 CB GLU A 77 -10.915 -6.761 -0.501 1.00 0.00 C ATOM 1150 CG GLU A 77 -9.879 -6.780 -1.610 1.00 0.00 C ATOM 1151 CD GLU A 77 -10.115 -7.897 -2.608 1.00 0.00 C ATOM 1152 OE1 GLU A 77 -10.890 -8.823 -2.289 1.00 0.00 O ATOM 1153 OE2 GLU A 77 -9.526 -7.845 -3.709 1.00 0.00 O ATOM 0 H GLU A 77 -12.357 -6.231 -2.998 1.00 0.00 H new ATOM 0 HA GLU A 77 -13.004 -6.849 -0.824 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -10.502 -6.241 0.363 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -11.121 -7.785 -0.188 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -9.892 -5.823 -2.131 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -8.886 -6.891 -1.173 1.00 0.00 H new ATOM 1160 N ASN A 78 -13.387 -4.044 -0.580 1.00 0.00 N ATOM 1161 CA ASN A 78 -13.728 -2.776 0.022 1.00 0.00 C ATOM 1162 C ASN A 78 -12.958 -2.618 1.305 1.00 0.00 C ATOM 1163 O ASN A 78 -13.501 -2.668 2.410 1.00 0.00 O ATOM 1164 CB ASN A 78 -15.211 -2.580 0.243 1.00 0.00 C ATOM 1165 CG ASN A 78 -15.453 -1.130 0.570 1.00 0.00 C ATOM 1166 OD1 ASN A 78 -15.089 -0.245 -0.203 1.00 0.00 O ATOM 1167 ND2 ASN A 78 -16.057 -0.875 1.707 1.00 0.00 N ATOM 0 H ASN A 78 -13.867 -4.223 -1.462 1.00 0.00 H new ATOM 0 HA ASN A 78 -13.445 -1.995 -0.684 1.00 0.00 H new ATOM 0 HB2 ASN A 78 -15.769 -2.866 -0.649 1.00 0.00 H new ATOM 0 HB3 ASN A 78 -15.561 -3.216 1.056 1.00 0.00 H new ATOM 0 HD22 ASN A 78 -16.341 -1.642 2.317 1.00 0.00 H new ATOM 1172 N HIS A 79 -11.666 -2.484 1.118 1.00 0.00 N ATOM 1173 CA HIS A 79 -10.728 -2.378 2.206 1.00 0.00 C ATOM 1174 C HIS A 79 -11.211 -1.493 3.325 1.00 0.00 C ATOM 1175 O HIS A 79 -11.432 -0.304 3.166 1.00 0.00 O ATOM 1176 CB HIS A 79 -9.377 -1.921 1.674 1.00 0.00 C ATOM 1177 CG HIS A 79 -8.870 -2.887 0.668 1.00 0.00 C ATOM 1178 ND1 HIS A 79 -7.714 -2.748 -0.056 1.00 0.00 N ATOM 1179 CD2 HIS A 79 -9.427 -4.046 0.277 1.00 0.00 C ATOM 1180 CE1 HIS A 79 -7.604 -3.816 -0.857 1.00 0.00 C ATOM 1181 NE2 HIS A 79 -8.623 -4.640 -0.692 1.00 0.00 N ATOM 0 H HIS A 79 -11.234 -2.445 0.195 1.00 0.00 H new ATOM 0 HA HIS A 79 -10.625 -3.370 2.647 1.00 0.00 H new ATOM 0 HB2 HIS A 79 -9.470 -0.932 1.225 1.00 0.00 H new ATOM 0 HB3 HIS A 79 -8.666 -1.832 2.495 1.00 0.00 H new ATOM 0 HD1 HIS A 79 -7.056 -1.971 0.004 1.00 0.00 H new ATOM 0 HD2 HIS A 79 -10.353 -4.453 0.655 1.00 0.00 H new ATOM 0 HE1 HIS A 79 -6.790 -3.981 -1.547 1.00 0.00 H new ATOM 1189 N THR A 80 -11.339 -2.110 4.473 1.00 0.00 N ATOM 1190 CA THR A 80 -11.752 -1.418 5.678 1.00 0.00 C ATOM 1191 C THR A 80 -10.516 -1.113 6.498 1.00 0.00 C ATOM 1192 O THR A 80 -10.522 -0.258 7.384 1.00 0.00 O ATOM 1193 CB THR A 80 -12.727 -2.272 6.475 1.00 0.00 C ATOM 1194 OG1 THR A 80 -12.038 -3.103 7.392 1.00 0.00 O ATOM 1195 CG2 THR A 80 -13.567 -3.154 5.590 1.00 0.00 C ATOM 0 H THR A 80 -11.161 -3.106 4.603 1.00 0.00 H new ATOM 0 HA THR A 80 -12.262 -0.490 5.419 1.00 0.00 H new ATOM 0 HB THR A 80 -13.376 -1.575 7.004 1.00 0.00 H new ATOM 0 HG1 THR A 80 -12.654 -3.394 8.096 1.00 0.00 H new ATOM 0 HG21 THR A 80 -14.247 -3.744 6.204 1.00 0.00 H new ATOM 0 HG22 THR A 80 -14.144 -2.536 4.902 1.00 0.00 H new ATOM 0 HG23 THR A 80 -12.919 -3.822 5.022 1.00 0.00 H new ATOM 1203 N ALA A 81 -9.447 -1.828 6.167 1.00 0.00 N ATOM 1204 CA ALA A 81 -8.166 -1.658 6.836 1.00 0.00 C ATOM 1205 C ALA A 81 -7.050 -2.288 6.012 1.00 0.00 C ATOM 1206 O ALA A 81 -7.280 -3.259 5.296 1.00 0.00 O ATOM 1207 CB ALA A 81 -8.211 -2.267 8.229 1.00 0.00 C ATOM 0 H ALA A 81 -9.445 -2.536 5.433 1.00 0.00 H new ATOM 0 HA ALA A 81 -7.963 -0.592 6.933 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -7.246 -2.132 8.717 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -8.986 -1.775 8.816 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -8.434 -3.331 8.154 1.00 0.00 H new ATOM 1213 N CYS A 82 -5.846 -1.735 6.115 1.00 0.00 N ATOM 1214 CA CYS A 82 -4.696 -2.257 5.379 1.00 0.00 C ATOM 1215 C CYS A 82 -3.605 -2.705 6.344 1.00 0.00 C ATOM 1216 O CYS A 82 -3.772 -2.631 7.561 1.00 0.00 O ATOM 1217 CB CYS A 82 -4.128 -1.203 4.429 1.00 0.00 C ATOM 1218 SG CYS A 82 -5.345 -0.448 3.302 1.00 0.00 S ATOM 0 H CYS A 82 -5.639 -0.926 6.700 1.00 0.00 H new ATOM 0 HA CYS A 82 -5.037 -3.111 4.794 1.00 0.00 H new ATOM 0 HB2 CYS A 82 -3.665 -0.414 5.021 1.00 0.00 H new ATOM 0 HB3 CYS A 82 -3.338 -1.660 3.833 1.00 0.00 H new ATOM 1223 N HIS A 83 -2.485 -3.159 5.794 1.00 0.00 N ATOM 1224 CA HIS A 83 -1.362 -3.605 6.614 1.00 0.00 C ATOM 1225 C HIS A 83 -0.167 -3.996 5.750 1.00 0.00 C ATOM 1226 O HIS A 83 -0.194 -5.010 5.053 1.00 0.00 O ATOM 1227 CB HIS A 83 -1.777 -4.778 7.504 1.00 0.00 C ATOM 1228 CG HIS A 83 -2.292 -5.961 6.745 1.00 0.00 C ATOM 1229 ND1 HIS A 83 -2.098 -7.262 7.160 1.00 0.00 N ATOM 1230 CD2 HIS A 83 -3.002 -6.035 5.595 1.00 0.00 C ATOM 1231 CE1 HIS A 83 -2.666 -8.086 6.297 1.00 0.00 C ATOM 1232 NE2 HIS A 83 -3.222 -7.366 5.340 1.00 0.00 N ATOM 0 H HIS A 83 -2.329 -3.228 4.788 1.00 0.00 H new ATOM 0 HA HIS A 83 -1.063 -2.771 7.249 1.00 0.00 H new ATOM 0 HB2 HIS A 83 -0.921 -5.088 8.103 1.00 0.00 H new ATOM 0 HB3 HIS A 83 -2.547 -4.441 8.198 1.00 0.00 H new ATOM 0 HD2 HIS A 83 -3.333 -5.203 4.991 1.00 0.00 H new ATOM 0 HE1 HIS A 83 -2.674 -9.164 6.363 1.00 0.00 H new ATOM 0 HE2 HIS A 83 -3.733 -7.739 4.540 1.00 0.00 H new ATOM 1241 N CYS A 84 0.884 -3.181 5.809 1.00 0.00 N ATOM 1242 CA CYS A 84 2.100 -3.433 5.040 1.00 0.00 C ATOM 1243 C CYS A 84 2.801 -4.693 5.537 1.00 0.00 C ATOM 1244 O CYS A 84 3.247 -4.755 6.683 1.00 0.00 O ATOM 1245 CB CYS A 84 3.051 -2.237 5.143 1.00 0.00 C ATOM 1246 SG CYS A 84 3.438 -1.449 3.545 1.00 0.00 S ATOM 0 H CYS A 84 0.918 -2.338 6.383 1.00 0.00 H new ATOM 0 HA CYS A 84 1.819 -3.577 3.997 1.00 0.00 H new ATOM 0 HB2 CYS A 84 2.609 -1.492 5.805 1.00 0.00 H new ATOM 0 HB3 CYS A 84 3.981 -2.565 5.608 1.00 0.00 H new ATOM 1251 N SER A 85 2.898 -5.694 4.670 1.00 0.00 N ATOM 1252 CA SER A 85 3.546 -6.950 5.027 1.00 0.00 C ATOM 1253 C SER A 85 4.311 -7.528 3.842 1.00 0.00 C ATOM 1254 O SER A 85 4.435 -6.888 2.798 1.00 0.00 O ATOM 1255 CB SER A 85 2.510 -7.962 5.520 1.00 0.00 C ATOM 1256 OG SER A 85 2.040 -7.621 6.813 1.00 0.00 O ATOM 0 H SER A 85 2.537 -5.661 3.717 1.00 0.00 H new ATOM 0 HA SER A 85 4.256 -6.745 5.829 1.00 0.00 H new ATOM 0 HB2 SER A 85 1.673 -7.999 4.823 1.00 0.00 H new ATOM 0 HB3 SER A 85 2.951 -8.958 5.541 1.00 0.00 H new ATOM 0 HG SER A 85 1.378 -8.282 7.105 1.00 0.00 H new ATOM 1262 N THR A 86 4.824 -8.740 4.014 1.00 0.00 N ATOM 1263 CA THR A 86 5.581 -9.408 2.962 1.00 0.00 C ATOM 1264 C THR A 86 4.707 -10.411 2.216 1.00 0.00 C ATOM 1265 O THR A 86 5.206 -11.391 1.663 1.00 0.00 O ATOM 1266 CB THR A 86 6.794 -10.123 3.558 1.00 0.00 C ATOM 1267 OG1 THR A 86 6.480 -10.662 4.831 1.00 0.00 O ATOM 1268 CG2 THR A 86 7.999 -9.223 3.723 1.00 0.00 C ATOM 0 H THR A 86 4.730 -9.281 4.873 1.00 0.00 H new ATOM 0 HA THR A 86 5.920 -8.651 2.255 1.00 0.00 H new ATOM 0 HB THR A 86 7.046 -10.909 2.847 1.00 0.00 H new ATOM 0 HG1 THR A 86 7.267 -11.117 5.197 1.00 0.00 H new ATOM 0 HG21 THR A 86 8.823 -9.794 4.151 1.00 0.00 H new ATOM 0 HG22 THR A 86 8.296 -8.830 2.750 1.00 0.00 H new ATOM 0 HG23 THR A 86 7.747 -8.396 4.387 1.00 0.00 H new ATOM 1276 N CYS A 87 3.402 -10.162 2.208 1.00 0.00 N ATOM 1277 CA CYS A 87 2.465 -11.051 1.531 1.00 0.00 C ATOM 1278 C CYS A 87 2.925 -12.500 1.651 1.00 0.00 C ATOM 1279 O CYS A 87 3.315 -13.123 0.665 1.00 0.00 O ATOM 1280 CB CYS A 87 2.331 -10.662 0.057 1.00 0.00 C ATOM 1281 SG CYS A 87 3.217 -9.135 -0.397 1.00 0.00 S ATOM 0 H CYS A 87 2.971 -9.356 2.660 1.00 0.00 H new ATOM 0 HA CYS A 87 1.490 -10.953 2.009 1.00 0.00 H new ATOM 0 HB2 CYS A 87 2.703 -11.481 -0.558 1.00 0.00 H new ATOM 0 HB3 CYS A 87 1.274 -10.540 -0.180 1.00 0.00 H new ATOM 1286 N TYR A 88 2.883 -13.023 2.872 1.00 0.00 N ATOM 1287 CA TYR A 88 3.301 -14.395 3.140 1.00 0.00 C ATOM 1288 C TYR A 88 3.404 -14.629 4.645 1.00 0.00 C ATOM 1289 O TYR A 88 3.119 -13.733 5.438 1.00 0.00 O ATOM 1290 CB TYR A 88 4.647 -14.682 2.468 1.00 0.00 C ATOM 1291 CG TYR A 88 4.637 -15.908 1.580 1.00 0.00 C ATOM 1292 CD1 TYR A 88 4.041 -15.879 0.324 1.00 0.00 C ATOM 1293 CD2 TYR A 88 5.226 -17.096 1.997 1.00 0.00 C ATOM 1294 CE1 TYR A 88 4.030 -16.996 -0.489 1.00 0.00 C ATOM 1295 CE2 TYR A 88 5.220 -18.218 1.188 1.00 0.00 C ATOM 1296 CZ TYR A 88 4.621 -18.162 -0.053 1.00 0.00 C ATOM 1297 OH TYR A 88 4.613 -19.277 -0.860 1.00 0.00 O ATOM 0 H TYR A 88 2.562 -12.514 3.696 1.00 0.00 H new ATOM 0 HA TYR A 88 2.554 -15.074 2.729 1.00 0.00 H new ATOM 0 HB2 TYR A 88 4.937 -13.816 1.873 1.00 0.00 H new ATOM 0 HB3 TYR A 88 5.408 -14.809 3.238 1.00 0.00 H new ATOM 0 HD1 TYR A 88 3.578 -14.967 -0.022 1.00 0.00 H new ATOM 0 HD2 TYR A 88 5.696 -17.144 2.968 1.00 0.00 H new ATOM 0 HE1 TYR A 88 3.561 -16.956 -1.461 1.00 0.00 H new ATOM 0 HE2 TYR A 88 5.682 -19.134 1.527 1.00 0.00 H new ATOM 0 HH TYR A 88 5.072 -20.014 -0.405 1.00 0.00 H new ATOM 1307 N TYR A 89 3.806 -15.833 5.037 1.00 0.00 N ATOM 1308 CA TYR A 89 3.934 -16.162 6.453 1.00 0.00 C ATOM 1309 C TYR A 89 2.558 -16.267 7.103 1.00 0.00 C ATOM 1310 O TYR A 89 1.536 -16.136 6.431 1.00 0.00 O ATOM 1311 CB TYR A 89 4.765 -15.095 7.171 1.00 0.00 C ATOM 1312 CG TYR A 89 6.081 -15.596 7.732 1.00 0.00 C ATOM 1313 CD1 TYR A 89 6.587 -16.844 7.387 1.00 0.00 C ATOM 1314 CD2 TYR A 89 6.819 -14.811 8.611 1.00 0.00 C ATOM 1315 CE1 TYR A 89 7.788 -17.295 7.903 1.00 0.00 C ATOM 1316 CE2 TYR A 89 8.021 -15.255 9.129 1.00 0.00 C ATOM 1317 CZ TYR A 89 8.501 -16.497 8.772 1.00 0.00 C ATOM 1318 OH TYR A 89 9.697 -16.943 9.287 1.00 0.00 O ATOM 0 H TYR A 89 4.047 -16.592 4.400 1.00 0.00 H new ATOM 0 HA TYR A 89 4.438 -17.125 6.538 1.00 0.00 H new ATOM 0 HB2 TYR A 89 4.968 -14.281 6.475 1.00 0.00 H new ATOM 0 HB3 TYR A 89 4.172 -14.678 7.985 1.00 0.00 H new ATOM 0 HD1 TYR A 89 6.033 -17.472 6.705 1.00 0.00 H new ATOM 0 HD2 TYR A 89 6.447 -13.838 8.894 1.00 0.00 H new ATOM 0 HE1 TYR A 89 8.166 -18.268 7.626 1.00 0.00 H new ATOM 0 HE2 TYR A 89 8.582 -14.632 9.810 1.00 0.00 H new ATOM 0 HH TYR A 89 10.072 -16.260 9.882 1.00 0.00 H new ATOM 1328 N HIS A 90 2.539 -16.500 8.413 1.00 0.00 N ATOM 1329 CA HIS A 90 1.284 -16.620 9.151 1.00 0.00 C ATOM 1330 C HIS A 90 0.188 -17.212 8.263 1.00 0.00 C ATOM 1331 O HIS A 90 0.475 -17.957 7.326 1.00 0.00 O ATOM 1332 CB HIS A 90 0.855 -15.253 9.694 1.00 0.00 C ATOM 1333 CG HIS A 90 1.367 -14.096 8.894 1.00 0.00 C ATOM 1334 ND1 HIS A 90 2.629 -13.566 9.059 1.00 0.00 N ATOM 1335 CD2 HIS A 90 0.776 -13.359 7.924 1.00 0.00 C ATOM 1336 CE1 HIS A 90 2.792 -12.553 8.226 1.00 0.00 C ATOM 1337 NE2 HIS A 90 1.682 -12.407 7.526 1.00 0.00 N ATOM 0 H HIS A 90 3.377 -16.609 8.985 1.00 0.00 H new ATOM 0 HA HIS A 90 1.442 -17.295 9.992 1.00 0.00 H new ATOM 0 HB2 HIS A 90 -0.234 -15.209 9.722 1.00 0.00 H new ATOM 0 HB3 HIS A 90 1.205 -15.155 10.722 1.00 0.00 H new ATOM 0 HD2 HIS A 90 -0.223 -13.495 7.535 1.00 0.00 H new ATOM 0 HE1 HIS A 90 3.682 -11.948 8.134 1.00 0.00 H new ATOM 0 HE2 HIS A 90 1.523 -11.702 6.806 1.00 0.00 H new ATOM 1346 N LYS A 91 -1.066 -16.879 8.559 1.00 0.00 N ATOM 1347 CA LYS A 91 -2.192 -17.381 7.780 1.00 0.00 C ATOM 1348 C LYS A 91 -3.116 -16.240 7.366 1.00 0.00 C ATOM 1349 O LYS A 91 -2.832 -15.072 7.628 1.00 0.00 O ATOM 1350 CB LYS A 91 -2.973 -18.421 8.582 1.00 0.00 C ATOM 1351 CG LYS A 91 -3.490 -17.899 9.911 1.00 0.00 C ATOM 1352 CD LYS A 91 -4.868 -17.276 9.765 1.00 0.00 C ATOM 1353 CE LYS A 91 -5.124 -16.239 10.845 1.00 0.00 C ATOM 1354 NZ LYS A 91 -4.649 -16.698 12.180 1.00 0.00 N ATOM 0 H LYS A 91 -1.326 -16.265 9.331 1.00 0.00 H new ATOM 0 HA LYS A 91 -1.798 -17.852 6.879 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -3.816 -18.770 7.985 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -2.332 -19.284 8.764 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -3.533 -18.715 10.632 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -2.795 -17.159 10.308 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -4.957 -16.811 8.783 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -5.629 -18.055 9.818 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -4.621 -15.308 10.581 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -6.191 -16.022 10.894 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -5.099 -16.127 12.924 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -4.900 -17.699 12.313 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -3.616 -16.590 12.237 1.00 0.00 H new ATOM 1368 N SER A 92 -4.224 -16.587 6.718 1.00 0.00 N ATOM 1369 CA SER A 92 -5.189 -15.590 6.269 1.00 0.00 C ATOM 1370 C SER A 92 -6.602 -16.163 6.265 1.00 0.00 C ATOM 1371 O SER A 92 -7.561 -15.369 6.177 1.00 0.00 O ATOM 1372 CB SER A 92 -4.826 -15.092 4.868 1.00 0.00 C ATOM 1373 OG SER A 92 -4.073 -16.062 4.160 1.00 0.00 O ATOM 1374 OXT SER A 92 -6.737 -17.403 6.347 1.00 0.00 O ATOM 0 H SER A 92 -4.475 -17.550 6.493 1.00 0.00 H new ATOM 0 HA SER A 92 -5.157 -14.752 6.965 1.00 0.00 H new ATOM 0 HB2 SER A 92 -5.736 -14.859 4.315 1.00 0.00 H new ATOM 0 HB3 SER A 92 -4.253 -14.168 4.944 1.00 0.00 H new ATOM 0 HG SER A 92 -3.856 -15.720 3.268 1.00 0.00 H new TER 1380 SER A 92 HETATM 1381 C1 NAG A1052 14.702 -4.449 0.389 1.00 0.00 C HETATM 1382 C2 NAG A1052 15.762 -3.728 1.213 1.00 0.00 C HETATM 1383 C3 NAG A1052 15.407 -3.768 2.688 1.00 0.00 C HETATM 1384 C4 NAG A1052 13.998 -3.252 2.905 1.00 0.00 C HETATM 1385 C5 NAG A1052 13.014 -3.991 2.013 1.00 0.00 C HETATM 1386 C6 NAG A1052 11.613 -3.423 2.112 1.00 0.00 C HETATM 1387 C7 NAG A1052 17.230 -5.636 1.375 1.00 0.00 C HETATM 1388 C8 NAG A1052 18.607 -6.237 1.144 1.00 0.00 C HETATM 1389 N2 NAG A1052 17.049 -4.368 1.017 1.00 0.00 N HETATM 1390 O3 NAG A1052 16.319 -2.953 3.408 1.00 0.00 O HETATM 1391 O4 NAG A1052 13.632 -3.449 4.264 1.00 0.00 O HETATM 1392 O5 NAG A1052 13.401 -3.899 0.631 1.00 0.00 O HETATM 1393 O6 NAG A1052 11.116 -3.504 3.439 1.00 0.00 O HETATM 1394 O7 NAG A1052 16.340 -6.322 1.876 1.00 0.00 O HETATM 0 HO6 NAG A1052 10.211 -3.129 3.473 1.00 0.00 H new HETATM 0 HO4 NAG A1052 12.659 -3.375 4.355 1.00 0.00 H new HETATM 0 HO3 NAG A1052 16.094 -2.973 4.362 1.00 0.00 H new HETATM 0 HN2 NAG A1052 17.819 -3.843 0.603 1.00 0.00 H new HETATM 0 H83 NAG A1052 18.847 -6.199 0.081 1.00 0.00 H new HETATM 0 H82 NAG A1052 19.350 -5.669 1.704 1.00 0.00 H new HETATM 0 H81 NAG A1052 18.613 -7.274 1.481 1.00 0.00 H new HETATM 0 H62 NAG A1052 11.616 -2.383 1.785 1.00 0.00 H new HETATM 0 H61 NAG A1052 10.950 -3.966 1.439 1.00 0.00 H new HETATM 0 H5 NAG A1052 13.023 -5.025 2.358 1.00 0.00 H new HETATM 0 H4 NAG A1052 13.971 -2.191 2.656 1.00 0.00 H new HETATM 0 H3 NAG A1052 15.465 -4.798 3.040 1.00 0.00 H new HETATM 0 H2 NAG A1052 15.809 -2.689 0.886 1.00 0.00 H new HETATM 1404 C1 NAG A1078 -16.173 0.488 2.159 1.00 0.00 C HETATM 1405 C2 NAG A1078 -17.641 0.878 2.286 1.00 0.00 C HETATM 1406 C3 NAG A1078 -17.768 2.276 2.865 1.00 0.00 C HETATM 1407 C4 NAG A1078 -16.992 2.383 4.164 1.00 0.00 C HETATM 1408 C5 NAG A1078 -15.551 1.932 3.966 1.00 0.00 C HETATM 1409 C6 NAG A1078 -14.765 1.900 5.264 1.00 0.00 C HETATM 1410 C7 NAG A1078 -19.295 0.040 0.744 1.00 0.00 C HETATM 1411 C8 NAG A1078 -19.897 0.066 -0.652 1.00 0.00 C HETATM 1412 N2 NAG A1078 -18.265 0.846 0.977 1.00 0.00 N HETATM 1413 O3 NAG A1078 -19.137 2.557 3.113 1.00 0.00 O HETATM 1414 O4 NAG A1078 -17.001 3.734 4.602 1.00 0.00 O HETATM 1415 O5 NAG A1078 -15.500 0.606 3.422 1.00 0.00 O HETATM 1416 O6 NAG A1078 -15.294 0.941 6.169 1.00 0.00 O HETATM 1417 O7 NAG A1078 -19.765 -0.708 1.601 1.00 0.00 O HETATM 0 HO6 NAG A1078 -15.563 0.139 5.675 1.00 0.00 H new HETATM 0 HO4 NAG A1078 -16.798 3.769 5.560 1.00 0.00 H new HETATM 0 HO3 NAG A1078 -19.223 3.458 3.489 1.00 0.00 H new HETATM 0 HN2 NAG A1078 -17.911 1.445 0.231 1.00 0.00 H new HETATM 0 H83 NAG A1078 -20.258 1.070 -0.874 1.00 0.00 H new HETATM 0 H82 NAG A1078 -19.137 -0.216 -1.381 1.00 0.00 H new HETATM 0 H81 NAG A1078 -20.728 -0.638 -0.703 1.00 0.00 H new HETATM 0 H62 NAG A1078 -13.721 1.666 5.053 1.00 0.00 H new HETATM 0 H61 NAG A1078 -14.783 2.887 5.726 1.00 0.00 H new HETATM 0 H5 NAG A1078 -15.110 2.661 3.286 1.00 0.00 H new HETATM 0 H4 NAG A1078 -17.462 1.741 4.909 1.00 0.00 H new HETATM 0 H3 NAG A1078 -17.362 2.993 2.151 1.00 0.00 H new HETATM 0 H2 NAG A1078 -18.136 0.170 2.951 1.00 0.00 H new