USER MOD reduce.3.24.130724 H: found=0, std=0, add=691, rem=0, adj=35 USER MOD reduce.3.24.130724 removed 691 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 62 THR OG1 : rot -87:sc= 1.25 USER MOD Set 1.2: A 81 CYS SG : rot -85:sc= -1.29 USER MOD Set 1.3: A 95 CYS SG : rot 34:sc= 0.741 USER MOD Set 2.1: A 87 ASN : amide:sc= -2.51 K(o=-2.5,f=-10!) USER MOD Set 2.2: A 98 SER OG : rot -130:sc= 0.0399 USER MOD Set 3.1: A 70 SER OG : rot -167:sc= -1.07! USER MOD Set 3.2: A 76 LYS NZ :NH3+ -135:sc= 0.784 (180deg=-3.91!) USER MOD Set 4.1: A 52 CYS SG : rot 107:sc= -0.268 USER MOD Set 4.2: A 56 ASN : amide:sc= -4.56! C(o=-3.8!,f=-4.6!) USER MOD Set 4.3: A 65 CYS SG : rot -136:sc= 1.06 USER MOD Set 5.1: A 48 ASN :FLIP amide:sc= 0.902 F(o=-8.6,f=-0.73) USER MOD Set 5.2: A 73 ASN : amide:sc= -1.63! C(o=-0.73!,f=-7.7!) USER MOD Set 6.1: A 32 CYS SG : rot 180:sc= 1.06 USER MOD Set 6.2: A 44 CYS SG : rot -88:sc= -4.73! USER MOD Set 6.3: A 55 ASN : amide:sc= -0.695 K(o=-4.4,f=-5.3) USER MOD Set 7.1: A 8 CYS SG : rot 19:sc= 1.04 USER MOD Set 7.2: A 11 THR OG1 : rot 14:sc= 0.793 USER MOD Set 7.3: A 20 CYS SG : rot 87:sc= 0.202 USER MOD Set 7.4: A 89 TYR OH : rot -109:sc= 0.468 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 HIS : no HD1:sc= -6.29! C(o=-6.3!,f=-9.5!) USER MOD Single : A 16 LYS NZ :NH3+ -169:sc= -0.0161 (180deg=-0.166) USER MOD Single : A 17 ASN : amide:sc= 0.578 K(o=0.58,f=-0.11) USER MOD Single : A 27 THR OG1 : rot 180:sc= -0.664 USER MOD Single : A 28 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0309) USER MOD Single : A 36 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 LYS NZ :NH3+ 151:sc= -0.308 (180deg=-1.16!) USER MOD Single : A 42 ASN : amide:sc= 0 K(o=0,f=-0.68) USER MOD Single : A 43 THR OG1 : rot -170:sc= -0.86 USER MOD Single : A 47 ASN : amide:sc= -0.83 K(o=-0.83,f=-2) USER MOD Single : A 49 ASN : amide:sc= 0.103 X(o=0.1,f=0) USER MOD Single : A 51 THR OG1 : rot -71:sc= 0.0741 USER MOD Single : A 59 CYS SG : rot -170:sc= -7.07! USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 66 GLN :FLIP amide:sc= -0.0119 F(o=-0.94,f=-0.012) USER MOD Single : A 67 ASN : amide:sc= -1.2 K(o=-1.2,f=-3!) USER MOD Single : A 71 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 SER OG : rot -28:sc= 0.498 USER MOD Single : A 75 LYS NZ :NH3+ -167:sc= -0.0447 (180deg=-0.23) USER MOD Single : A 79 CYS SG : rot 81:sc= -4.73! USER MOD Single : A 80 THR OG1 : rot 180:sc= 0 USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 THR OG1 : rot 16:sc= 0.574 USER MOD Single : A 90 TYR OH : rot 180:sc= 0 USER MOD Single : A 96 SER OG : rot 138:sc= 1.58 USER MOD Single : A 97 SER OG : rot 59:sc= -3.69! USER MOD Single : A 99 SER OG : rot 41:sc= 0.737 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -6.479 -11.180 7.581 1.00 0.00 N ATOM 2 CA GLY A 1 -6.774 -10.657 6.228 1.00 0.00 C ATOM 3 C GLY A 1 -8.197 -10.154 6.113 1.00 0.00 C ATOM 4 O GLY A 1 -9.140 -10.844 6.497 1.00 0.00 O ATOM 0 H1 GLY A 1 -5.495 -11.514 7.617 1.00 0.00 H new ATOM 0 H2 GLY A 1 -6.614 -10.424 8.282 1.00 0.00 H new ATOM 0 H3 GLY A 1 -7.121 -11.970 7.795 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -6.083 -9.847 5.994 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -6.606 -11.442 5.491 1.00 0.00 H new ATOM 10 N VAL A 2 -8.350 -8.945 5.597 1.00 0.00 N ATOM 11 CA VAL A 2 -9.667 -8.351 5.405 1.00 0.00 C ATOM 12 C VAL A 2 -10.186 -8.711 4.014 1.00 0.00 C ATOM 13 O VAL A 2 -9.598 -9.547 3.329 1.00 0.00 O ATOM 14 CB VAL A 2 -9.605 -6.811 5.561 1.00 0.00 C ATOM 15 CG1 VAL A 2 -10.965 -6.237 5.929 1.00 0.00 C ATOM 16 CG2 VAL A 2 -8.574 -6.414 6.600 1.00 0.00 C ATOM 0 H VAL A 2 -7.575 -8.352 5.302 1.00 0.00 H new ATOM 0 HA VAL A 2 -10.343 -8.744 6.164 1.00 0.00 H new ATOM 0 HB VAL A 2 -9.309 -6.397 4.597 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -10.888 -5.155 6.031 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -11.685 -6.477 5.147 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -11.298 -6.668 6.873 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -8.549 -5.328 6.691 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -8.839 -6.853 7.562 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -7.592 -6.775 6.295 1.00 0.00 H new ATOM 26 N ASP A 3 -11.277 -8.086 3.604 1.00 0.00 N ATOM 27 CA ASP A 3 -11.873 -8.323 2.302 1.00 0.00 C ATOM 28 C ASP A 3 -11.716 -7.102 1.419 1.00 0.00 C ATOM 29 O ASP A 3 -12.599 -6.289 1.340 1.00 0.00 O ATOM 30 CB ASP A 3 -13.366 -8.618 2.468 1.00 0.00 C ATOM 31 CG ASP A 3 -14.130 -7.514 3.200 1.00 0.00 C ATOM 32 OD1 ASP A 3 -13.601 -6.958 4.192 1.00 0.00 O ATOM 33 OD2 ASP A 3 -15.252 -7.180 2.772 1.00 0.00 O ATOM 0 H ASP A 3 -11.775 -7.397 4.168 1.00 0.00 H new ATOM 0 HA ASP A 3 -11.369 -9.172 1.840 1.00 0.00 H new ATOM 0 HB2 ASP A 3 -13.811 -8.765 1.484 1.00 0.00 H new ATOM 0 HB3 ASP A 3 -13.484 -9.554 3.014 1.00 0.00 H new ATOM 38 N PRO A 4 -10.632 -7.041 0.661 1.00 0.00 N ATOM 39 CA PRO A 4 -10.271 -5.922 -0.215 1.00 0.00 C ATOM 40 C PRO A 4 -11.409 -5.177 -0.925 1.00 0.00 C ATOM 41 O PRO A 4 -11.243 -4.002 -1.216 1.00 0.00 O ATOM 42 CB PRO A 4 -9.433 -6.650 -1.250 1.00 0.00 C ATOM 43 CG PRO A 4 -8.711 -7.697 -0.496 1.00 0.00 C ATOM 44 CD PRO A 4 -9.550 -8.028 0.700 1.00 0.00 C ATOM 0 HA PRO A 4 -9.810 -5.121 0.364 1.00 0.00 H new ATOM 0 HB2 PRO A 4 -10.059 -7.086 -2.028 1.00 0.00 H new ATOM 0 HB3 PRO A 4 -8.738 -5.970 -1.744 1.00 0.00 H new ATOM 0 HG2 PRO A 4 -8.555 -8.581 -1.115 1.00 0.00 H new ATOM 0 HG3 PRO A 4 -7.726 -7.344 -0.191 1.00 0.00 H new ATOM 0 HD2 PRO A 4 -9.937 -9.046 0.647 1.00 0.00 H new ATOM 0 HD3 PRO A 4 -8.975 -7.953 1.623 1.00 0.00 H new ATOM 52 N LYS A 5 -12.547 -5.831 -1.173 1.00 0.00 N ATOM 53 CA LYS A 5 -13.694 -5.241 -1.917 1.00 0.00 C ATOM 54 C LYS A 5 -14.215 -3.891 -1.366 1.00 0.00 C ATOM 55 O LYS A 5 -15.273 -3.420 -1.774 1.00 0.00 O ATOM 56 CB LYS A 5 -14.823 -6.245 -2.007 1.00 0.00 C ATOM 57 CG LYS A 5 -15.183 -6.849 -0.686 1.00 0.00 C ATOM 58 CD LYS A 5 -15.115 -8.352 -0.790 1.00 0.00 C ATOM 59 CE LYS A 5 -15.917 -9.040 0.301 1.00 0.00 C ATOM 60 NZ LYS A 5 -15.836 -10.522 0.193 1.00 0.00 N ATOM 0 H LYS A 5 -12.712 -6.790 -0.867 1.00 0.00 H new ATOM 0 HA LYS A 5 -13.305 -5.007 -2.908 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -15.702 -5.756 -2.427 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -14.539 -7.040 -2.697 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -14.500 -6.495 0.087 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -16.186 -6.538 -0.392 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -15.489 -8.664 -1.765 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -14.075 -8.672 -0.730 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -15.548 -8.726 1.277 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -16.959 -8.727 0.239 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -16.396 -10.957 0.954 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -16.212 -10.824 -0.729 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -14.844 -10.823 0.278 1.00 0.00 H new ATOM 74 N HIS A 6 -13.476 -3.314 -0.432 1.00 0.00 N ATOM 75 CA HIS A 6 -13.782 -2.031 0.203 1.00 0.00 C ATOM 76 C HIS A 6 -13.785 -0.891 -0.812 1.00 0.00 C ATOM 77 O HIS A 6 -14.228 0.210 -0.501 1.00 0.00 O ATOM 78 CB HIS A 6 -12.700 -1.690 1.227 1.00 0.00 C ATOM 79 CG HIS A 6 -12.459 -2.694 2.289 1.00 0.00 C ATOM 80 ND1 HIS A 6 -11.638 -2.466 3.369 1.00 0.00 N ATOM 81 CD2 HIS A 6 -12.876 -3.955 2.399 1.00 0.00 C ATOM 82 CE1 HIS A 6 -11.570 -3.561 4.094 1.00 0.00 C ATOM 83 NE2 HIS A 6 -12.324 -4.480 3.533 1.00 0.00 N ATOM 0 H HIS A 6 -12.617 -3.736 -0.080 1.00 0.00 H new ATOM 0 HA HIS A 6 -14.765 -2.131 0.663 1.00 0.00 H new ATOM 0 HB2 HIS A 6 -11.764 -1.526 0.693 1.00 0.00 H new ATOM 0 HB3 HIS A 6 -12.965 -0.746 1.703 1.00 0.00 H new ATOM 0 HD2 HIS A 6 -13.533 -4.470 1.714 1.00 0.00 H new ATOM 0 HE1 HIS A 6 -10.992 -3.684 4.998 1.00 0.00 H new ATOM 0 HE2 HIS A 6 -12.472 -5.426 3.885 1.00 0.00 H new ATOM 92 N VAL A 7 -13.236 -1.182 -1.997 1.00 0.00 N ATOM 93 CA VAL A 7 -13.154 -0.244 -3.145 1.00 0.00 C ATOM 94 C VAL A 7 -12.417 1.042 -2.832 1.00 0.00 C ATOM 95 O VAL A 7 -11.662 1.114 -1.872 1.00 0.00 O ATOM 96 CB VAL A 7 -14.558 0.062 -3.740 1.00 0.00 C ATOM 97 CG1 VAL A 7 -15.363 -1.217 -3.844 1.00 0.00 C ATOM 98 CG2 VAL A 7 -15.324 1.100 -2.934 1.00 0.00 C ATOM 0 H VAL A 7 -12.825 -2.093 -2.199 1.00 0.00 H new ATOM 0 HA VAL A 7 -12.561 -0.765 -3.897 1.00 0.00 H new ATOM 0 HB VAL A 7 -14.402 0.484 -4.733 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -16.345 -0.996 -4.261 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -14.843 -1.922 -4.493 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -15.480 -1.655 -2.853 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -16.296 1.274 -3.395 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -15.465 0.738 -1.916 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -14.760 2.033 -2.913 1.00 0.00 H new ATOM 108 N CYS A 8 -12.535 1.996 -3.747 1.00 0.00 N ATOM 109 CA CYS A 8 -12.049 3.347 -3.537 1.00 0.00 C ATOM 110 C CYS A 8 -12.858 4.319 -4.377 1.00 0.00 C ATOM 111 O CYS A 8 -13.066 4.108 -5.571 1.00 0.00 O ATOM 112 CB CYS A 8 -10.560 3.447 -3.845 1.00 0.00 C ATOM 113 SG CYS A 8 -10.139 3.376 -5.602 1.00 0.00 S ATOM 0 H CYS A 8 -12.972 1.851 -4.657 1.00 0.00 H new ATOM 0 HA CYS A 8 -12.177 3.610 -2.487 1.00 0.00 H new ATOM 0 HB2 CYS A 8 -10.181 4.382 -3.433 1.00 0.00 H new ATOM 0 HB3 CYS A 8 -10.042 2.638 -3.329 1.00 0.00 H new ATOM 0 HG CYS A 8 -11.193 3.651 -6.312 1.00 0.00 H new ATOM 119 N VAL A 9 -13.338 5.372 -3.733 1.00 0.00 N ATOM 120 CA VAL A 9 -14.262 6.299 -4.365 1.00 0.00 C ATOM 121 C VAL A 9 -13.640 7.679 -4.531 1.00 0.00 C ATOM 122 O VAL A 9 -13.613 8.237 -5.625 1.00 0.00 O ATOM 123 CB VAL A 9 -15.549 6.443 -3.523 1.00 0.00 C ATOM 124 CG1 VAL A 9 -16.539 7.378 -4.197 1.00 0.00 C ATOM 125 CG2 VAL A 9 -16.177 5.083 -3.256 1.00 0.00 C ATOM 0 H VAL A 9 -13.101 5.606 -2.769 1.00 0.00 H new ATOM 0 HA VAL A 9 -14.500 5.891 -5.347 1.00 0.00 H new ATOM 0 HB VAL A 9 -15.276 6.882 -2.563 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -17.436 7.462 -3.583 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -16.087 8.363 -4.315 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -16.805 6.981 -5.177 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -17.082 5.210 -2.661 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -16.429 4.606 -4.203 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -15.470 4.456 -2.712 1.00 0.00 H new ATOM 135 N ASP A 10 -13.125 8.203 -3.435 1.00 0.00 N ATOM 136 CA ASP A 10 -12.686 9.591 -3.378 1.00 0.00 C ATOM 137 C ASP A 10 -11.176 9.663 -3.423 1.00 0.00 C ATOM 138 O ASP A 10 -10.602 10.028 -4.447 1.00 0.00 O ATOM 139 CB ASP A 10 -13.204 10.239 -2.094 1.00 0.00 C ATOM 140 CG ASP A 10 -12.779 11.686 -1.937 1.00 0.00 C ATOM 141 OD1 ASP A 10 -11.652 11.927 -1.453 1.00 0.00 O ATOM 142 OD2 ASP A 10 -13.578 12.581 -2.270 1.00 0.00 O ATOM 0 H ASP A 10 -12.998 7.687 -2.564 1.00 0.00 H new ATOM 0 HA ASP A 10 -13.086 10.128 -4.238 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -14.293 10.184 -2.082 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -12.846 9.668 -1.237 1.00 0.00 H new ATOM 147 N THR A 11 -10.551 9.318 -2.303 1.00 0.00 N ATOM 148 CA THR A 11 -9.100 9.237 -2.200 1.00 0.00 C ATOM 149 C THR A 11 -8.415 10.507 -2.708 1.00 0.00 C ATOM 150 O THR A 11 -7.323 10.462 -3.268 1.00 0.00 O ATOM 151 CB THR A 11 -8.561 7.979 -2.919 1.00 0.00 C ATOM 152 OG1 THR A 11 -8.911 7.972 -4.309 1.00 0.00 O ATOM 153 CG2 THR A 11 -9.125 6.729 -2.257 1.00 0.00 C ATOM 0 H THR A 11 -11.039 9.086 -1.438 1.00 0.00 H new ATOM 0 HA THR A 11 -8.857 9.149 -1.141 1.00 0.00 H new ATOM 0 HB THR A 11 -7.474 7.993 -2.840 1.00 0.00 H new ATOM 0 HG1 THR A 11 -9.225 8.863 -4.572 1.00 0.00 H new ATOM 0 HG21 THR A 11 -8.743 5.844 -2.766 1.00 0.00 H new ATOM 0 HG22 THR A 11 -8.823 6.704 -1.210 1.00 0.00 H new ATOM 0 HG23 THR A 11 -10.213 6.743 -2.320 1.00 0.00 H new ATOM 161 N ARG A 12 -9.065 11.647 -2.481 1.00 0.00 N ATOM 162 CA ARG A 12 -8.512 12.933 -2.882 1.00 0.00 C ATOM 163 C ARG A 12 -7.511 13.424 -1.847 1.00 0.00 C ATOM 164 O ARG A 12 -6.694 14.304 -2.115 1.00 0.00 O ATOM 165 CB ARG A 12 -9.629 13.948 -3.081 1.00 0.00 C ATOM 166 CG ARG A 12 -10.534 13.579 -4.239 1.00 0.00 C ATOM 167 CD ARG A 12 -11.711 14.526 -4.365 1.00 0.00 C ATOM 168 NE ARG A 12 -11.295 15.871 -4.763 1.00 0.00 N ATOM 169 CZ ARG A 12 -12.053 16.710 -5.466 1.00 0.00 C ATOM 170 NH1 ARG A 12 -13.266 16.349 -5.863 1.00 0.00 N ATOM 171 NH2 ARG A 12 -11.586 17.908 -5.781 1.00 0.00 N ATOM 0 H ARG A 12 -9.974 11.703 -2.022 1.00 0.00 H new ATOM 0 HA ARG A 12 -7.988 12.811 -3.830 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -10.220 14.020 -2.168 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -9.196 14.933 -3.259 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -9.960 13.589 -5.165 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -10.900 12.562 -4.103 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -12.415 14.133 -5.098 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -12.238 14.577 -3.412 1.00 0.00 H new ATOM 0 HE ARG A 12 -10.366 16.186 -4.484 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -13.624 15.423 -5.630 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -13.841 16.998 -6.401 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -10.650 18.184 -5.485 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -12.162 18.555 -6.319 1.00 0.00 H new ATOM 185 N ASP A 13 -7.592 12.845 -0.655 1.00 0.00 N ATOM 186 CA ASP A 13 -6.629 13.119 0.411 1.00 0.00 C ATOM 187 C ASP A 13 -5.339 12.368 0.153 1.00 0.00 C ATOM 188 O ASP A 13 -4.301 12.679 0.736 1.00 0.00 O ATOM 189 CB ASP A 13 -7.178 12.677 1.768 1.00 0.00 C ATOM 190 CG ASP A 13 -8.448 13.397 2.147 1.00 0.00 C ATOM 191 OD1 ASP A 13 -9.512 13.051 1.608 1.00 0.00 O ATOM 192 OD2 ASP A 13 -8.390 14.321 2.985 1.00 0.00 O ATOM 0 H ASP A 13 -8.320 12.178 -0.399 1.00 0.00 H new ATOM 0 HA ASP A 13 -6.446 14.193 0.424 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -7.367 11.604 1.746 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -6.423 12.853 2.535 1.00 0.00 H new ATOM 197 N ILE A 14 -5.432 11.371 -0.715 1.00 0.00 N ATOM 198 CA ILE A 14 -4.326 10.467 -0.995 1.00 0.00 C ATOM 199 C ILE A 14 -3.129 11.218 -1.590 1.00 0.00 C ATOM 200 O ILE A 14 -3.193 11.771 -2.693 1.00 0.00 O ATOM 201 CB ILE A 14 -4.788 9.310 -1.921 1.00 0.00 C ATOM 202 CG1 ILE A 14 -5.504 8.203 -1.112 1.00 0.00 C ATOM 203 CG2 ILE A 14 -3.605 8.721 -2.689 1.00 0.00 C ATOM 204 CD1 ILE A 14 -6.523 8.689 -0.095 1.00 0.00 C ATOM 0 H ILE A 14 -6.278 11.166 -1.246 1.00 0.00 H new ATOM 0 HA ILE A 14 -3.996 10.032 -0.052 1.00 0.00 H new ATOM 0 HB ILE A 14 -5.496 9.724 -2.639 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -6.005 7.534 -1.811 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -4.750 7.613 -0.591 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -3.954 7.912 -3.331 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -3.146 9.497 -3.301 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -2.870 8.333 -1.984 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -6.965 7.833 0.415 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -6.031 9.332 0.635 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -7.306 9.251 -0.604 1.00 0.00 H new ATOM 216 N PRO A 15 -2.041 11.270 -0.814 1.00 0.00 N ATOM 217 CA PRO A 15 -0.817 12.001 -1.159 1.00 0.00 C ATOM 218 C PRO A 15 -0.005 11.383 -2.297 1.00 0.00 C ATOM 219 O PRO A 15 -0.389 10.376 -2.894 1.00 0.00 O ATOM 220 CB PRO A 15 0.010 11.959 0.126 1.00 0.00 C ATOM 221 CG PRO A 15 -0.918 11.498 1.191 1.00 0.00 C ATOM 222 CD PRO A 15 -1.948 10.658 0.516 1.00 0.00 C ATOM 0 HA PRO A 15 -1.072 12.999 -1.515 1.00 0.00 H new ATOM 0 HB2 PRO A 15 0.856 11.280 0.024 1.00 0.00 H new ATOM 0 HB3 PRO A 15 0.417 12.942 0.361 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -0.385 10.924 1.949 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -1.379 12.346 1.698 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -1.645 9.612 0.460 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -2.902 10.686 1.042 1.00 0.00 H new ATOM 230 N LYS A 16 1.122 12.026 -2.587 1.00 0.00 N ATOM 231 CA LYS A 16 2.051 11.582 -3.609 1.00 0.00 C ATOM 232 C LYS A 16 2.678 10.240 -3.281 1.00 0.00 C ATOM 233 O LYS A 16 2.964 9.946 -2.118 1.00 0.00 O ATOM 234 CB LYS A 16 3.166 12.602 -3.749 1.00 0.00 C ATOM 235 CG LYS A 16 3.508 12.915 -5.178 1.00 0.00 C ATOM 236 CD LYS A 16 4.777 13.745 -5.292 1.00 0.00 C ATOM 237 CE LYS A 16 4.638 15.076 -4.570 1.00 0.00 C ATOM 238 NZ LYS A 16 3.581 15.922 -5.177 1.00 0.00 N ATOM 0 H LYS A 16 1.415 12.879 -2.111 1.00 0.00 H new ATOM 0 HA LYS A 16 1.484 11.477 -4.534 1.00 0.00 H new ATOM 0 HB2 LYS A 16 2.873 13.522 -3.243 1.00 0.00 H new ATOM 0 HB3 LYS A 16 4.056 12.229 -3.243 1.00 0.00 H new ATOM 0 HG2 LYS A 16 3.632 11.985 -5.733 1.00 0.00 H new ATOM 0 HG3 LYS A 16 2.680 13.453 -5.639 1.00 0.00 H new ATOM 0 HD2 LYS A 16 5.616 13.189 -4.874 1.00 0.00 H new ATOM 0 HD3 LYS A 16 5.004 13.922 -6.343 1.00 0.00 H new ATOM 0 HE2 LYS A 16 4.404 14.898 -3.521 1.00 0.00 H new ATOM 0 HE3 LYS A 16 5.590 15.607 -4.598 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 3.639 16.884 -4.786 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 3.715 15.959 -6.208 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 2.647 15.517 -4.964 1.00 0.00 H new ATOM 252 N ASN A 17 2.905 9.448 -4.332 1.00 0.00 N ATOM 253 CA ASN A 17 3.551 8.133 -4.234 1.00 0.00 C ATOM 254 C ASN A 17 2.772 7.222 -3.307 1.00 0.00 C ATOM 255 O ASN A 17 3.267 6.184 -2.857 1.00 0.00 O ATOM 256 CB ASN A 17 5.001 8.247 -3.757 1.00 0.00 C ATOM 257 CG ASN A 17 5.854 9.135 -4.648 1.00 0.00 C ATOM 258 OD1 ASN A 17 6.328 8.708 -5.700 1.00 0.00 O ATOM 259 ND2 ASN A 17 6.109 10.355 -4.200 1.00 0.00 N ATOM 0 H ASN A 17 2.644 9.702 -5.285 1.00 0.00 H new ATOM 0 HA ASN A 17 3.559 7.702 -5.235 1.00 0.00 H new ATOM 0 HB2 ASN A 17 5.013 8.643 -2.741 1.00 0.00 H new ATOM 0 HB3 ASN A 17 5.443 7.252 -3.716 1.00 0.00 H new ATOM 0 HD21 ASN A 17 6.718 10.977 -4.732 1.00 0.00 H new ATOM 0 HD22 ASN A 17 5.697 10.673 -3.323 1.00 0.00 H new ATOM 266 N ALA A 18 1.553 7.627 -3.025 1.00 0.00 N ATOM 267 CA ALA A 18 0.675 6.878 -2.173 1.00 0.00 C ATOM 268 C ALA A 18 -0.459 6.302 -2.994 1.00 0.00 C ATOM 269 O ALA A 18 -1.011 6.967 -3.875 1.00 0.00 O ATOM 270 CB ALA A 18 0.140 7.769 -1.058 1.00 0.00 C ATOM 0 H ALA A 18 1.147 8.491 -3.386 1.00 0.00 H new ATOM 0 HA ALA A 18 1.227 6.057 -1.715 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -0.525 7.190 -0.417 1.00 0.00 H new ATOM 0 HB2 ALA A 18 0.972 8.151 -0.466 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -0.410 8.604 -1.492 1.00 0.00 H new ATOM 276 N GLY A 19 -0.771 5.055 -2.733 1.00 0.00 N ATOM 277 CA GLY A 19 -1.884 4.420 -3.390 1.00 0.00 C ATOM 278 C GLY A 19 -3.181 4.764 -2.690 1.00 0.00 C ATOM 279 O GLY A 19 -3.165 5.191 -1.536 1.00 0.00 O ATOM 0 H GLY A 19 -0.270 4.462 -2.071 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -1.930 4.740 -4.431 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -1.742 3.339 -3.395 1.00 0.00 H new ATOM 283 N CYS A 20 -4.299 4.614 -3.366 1.00 0.00 N ATOM 284 CA CYS A 20 -5.559 5.008 -2.786 1.00 0.00 C ATOM 285 C CYS A 20 -6.430 3.797 -2.428 1.00 0.00 C ATOM 286 O CYS A 20 -6.562 2.862 -3.220 1.00 0.00 O ATOM 287 CB CYS A 20 -6.273 5.920 -3.768 1.00 0.00 C ATOM 288 SG CYS A 20 -6.841 5.092 -5.274 1.00 0.00 S ATOM 0 H CYS A 20 -4.360 4.226 -4.307 1.00 0.00 H new ATOM 0 HA CYS A 20 -5.371 5.537 -1.852 1.00 0.00 H new ATOM 0 HB2 CYS A 20 -7.131 6.371 -3.269 1.00 0.00 H new ATOM 0 HB3 CYS A 20 -5.602 6.733 -4.045 1.00 0.00 H new ATOM 0 HG CYS A 20 -8.024 4.591 -5.074 1.00 0.00 H new ATOM 294 N PHE A 21 -7.015 3.814 -1.228 1.00 0.00 N ATOM 295 CA PHE A 21 -7.868 2.722 -0.769 1.00 0.00 C ATOM 296 C PHE A 21 -9.082 3.272 -0.005 1.00 0.00 C ATOM 297 O PHE A 21 -9.027 4.361 0.545 1.00 0.00 O ATOM 298 CB PHE A 21 -7.040 1.796 0.136 1.00 0.00 C ATOM 299 CG PHE A 21 -7.759 0.570 0.629 1.00 0.00 C ATOM 300 CD1 PHE A 21 -8.322 -0.329 -0.259 1.00 0.00 C ATOM 301 CD2 PHE A 21 -7.854 0.309 1.988 1.00 0.00 C ATOM 302 CE1 PHE A 21 -8.975 -1.462 0.200 1.00 0.00 C ATOM 303 CE2 PHE A 21 -8.504 -0.823 2.445 1.00 0.00 C ATOM 304 CZ PHE A 21 -9.061 -1.707 1.545 1.00 0.00 C ATOM 0 H PHE A 21 -6.911 4.575 -0.557 1.00 0.00 H new ATOM 0 HA PHE A 21 -8.238 2.162 -1.628 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -6.151 1.481 -0.410 1.00 0.00 H new ATOM 0 HB3 PHE A 21 -6.698 2.368 0.998 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -8.252 -0.146 -1.321 1.00 0.00 H new ATOM 0 HD2 PHE A 21 -7.416 0.997 2.696 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -9.416 -2.152 -0.503 1.00 0.00 H new ATOM 0 HE2 PHE A 21 -8.575 -1.014 3.506 1.00 0.00 H new ATOM 0 HZ PHE A 21 -9.565 -2.593 1.901 1.00 0.00 H new ATOM 314 N ARG A 22 -10.192 2.551 -0.041 1.00 0.00 N ATOM 315 CA ARG A 22 -11.317 2.800 0.847 1.00 0.00 C ATOM 316 C ARG A 22 -11.379 1.652 1.827 1.00 0.00 C ATOM 317 O ARG A 22 -11.032 0.541 1.471 1.00 0.00 O ATOM 318 CB ARG A 22 -12.633 2.822 0.080 1.00 0.00 C ATOM 319 CG ARG A 22 -13.720 3.653 0.726 1.00 0.00 C ATOM 320 CD ARG A 22 -13.693 5.105 0.271 1.00 0.00 C ATOM 321 NE ARG A 22 -15.045 5.662 0.231 1.00 0.00 N ATOM 322 CZ ARG A 22 -15.343 6.958 0.278 1.00 0.00 C ATOM 323 NH1 ARG A 22 -14.390 7.861 0.445 1.00 0.00 N ATOM 324 NH2 ARG A 22 -16.607 7.348 0.183 1.00 0.00 N ATOM 0 H ARG A 22 -10.338 1.776 -0.688 1.00 0.00 H new ATOM 0 HA ARG A 22 -11.179 3.764 1.336 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -12.448 3.205 -0.924 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -12.992 1.799 -0.030 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -14.692 3.220 0.490 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -13.608 3.613 1.809 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -13.073 5.692 0.949 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -13.237 5.173 -0.717 1.00 0.00 H new ATOM 0 HE ARG A 22 -15.822 5.004 0.162 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -13.418 7.566 0.539 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -14.627 8.852 0.480 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -17.348 6.655 0.074 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -16.838 8.341 0.219 1.00 0.00 H new ATOM 338 N ASP A 23 -11.784 1.898 3.048 1.00 0.00 N ATOM 339 CA ASP A 23 -11.927 0.810 3.999 1.00 0.00 C ATOM 340 C ASP A 23 -13.407 0.527 4.256 1.00 0.00 C ATOM 341 O ASP A 23 -14.267 1.258 3.761 1.00 0.00 O ATOM 342 CB ASP A 23 -11.196 1.150 5.301 1.00 0.00 C ATOM 343 CG ASP A 23 -11.285 0.045 6.326 1.00 0.00 C ATOM 344 OD1 ASP A 23 -10.822 -1.076 6.033 1.00 0.00 O ATOM 345 OD2 ASP A 23 -11.838 0.286 7.416 1.00 0.00 O ATOM 0 H ASP A 23 -12.018 2.823 3.408 1.00 0.00 H new ATOM 0 HA ASP A 23 -11.477 -0.091 3.582 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -10.148 1.353 5.082 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -11.616 2.064 5.721 1.00 0.00 H new ATOM 350 N ASP A 24 -13.707 -0.526 5.011 1.00 0.00 N ATOM 351 CA ASP A 24 -15.089 -0.876 5.348 1.00 0.00 C ATOM 352 C ASP A 24 -15.800 0.296 6.012 1.00 0.00 C ATOM 353 O ASP A 24 -16.992 0.511 5.802 1.00 0.00 O ATOM 354 CB ASP A 24 -15.118 -2.092 6.278 1.00 0.00 C ATOM 355 CG ASP A 24 -16.468 -2.295 6.946 1.00 0.00 C ATOM 356 OD1 ASP A 24 -17.395 -2.807 6.288 1.00 0.00 O ATOM 357 OD2 ASP A 24 -16.598 -1.964 8.144 1.00 0.00 O ATOM 0 H ASP A 24 -13.009 -1.157 5.405 1.00 0.00 H new ATOM 0 HA ASP A 24 -15.610 -1.120 4.422 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -14.863 -2.985 5.708 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -14.353 -1.974 7.045 1.00 0.00 H new ATOM 362 N ASP A 25 -15.045 1.073 6.782 1.00 0.00 N ATOM 363 CA ASP A 25 -15.593 2.210 7.518 1.00 0.00 C ATOM 364 C ASP A 25 -16.101 3.288 6.565 1.00 0.00 C ATOM 365 O ASP A 25 -16.888 4.157 6.942 1.00 0.00 O ATOM 366 CB ASP A 25 -14.511 2.809 8.418 1.00 0.00 C ATOM 367 CG ASP A 25 -15.076 3.738 9.470 1.00 0.00 C ATOM 368 OD1 ASP A 25 -15.485 3.239 10.537 1.00 0.00 O ATOM 369 OD2 ASP A 25 -15.112 4.967 9.244 1.00 0.00 O ATOM 0 H ASP A 25 -14.043 0.935 6.914 1.00 0.00 H new ATOM 0 HA ASP A 25 -16.429 1.853 8.120 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -13.963 2.003 8.907 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -13.794 3.355 7.804 1.00 0.00 H new ATOM 374 N GLY A 26 -15.661 3.213 5.318 1.00 0.00 N ATOM 375 CA GLY A 26 -15.962 4.254 4.361 1.00 0.00 C ATOM 376 C GLY A 26 -14.826 5.241 4.278 1.00 0.00 C ATOM 377 O GLY A 26 -14.839 6.170 3.471 1.00 0.00 O ATOM 0 H GLY A 26 -15.098 2.445 4.952 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -16.141 3.813 3.380 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -16.878 4.769 4.651 1.00 0.00 H new ATOM 381 N THR A 27 -13.845 5.031 5.142 1.00 0.00 N ATOM 382 CA THR A 27 -12.635 5.823 5.163 1.00 0.00 C ATOM 383 C THR A 27 -11.860 5.641 3.870 1.00 0.00 C ATOM 384 O THR A 27 -11.927 4.582 3.251 1.00 0.00 O ATOM 385 CB THR A 27 -11.746 5.384 6.337 1.00 0.00 C ATOM 386 OG1 THR A 27 -12.536 5.255 7.523 1.00 0.00 O ATOM 387 CG2 THR A 27 -10.620 6.374 6.582 1.00 0.00 C ATOM 0 H THR A 27 -13.871 4.299 5.852 1.00 0.00 H new ATOM 0 HA THR A 27 -12.912 6.871 5.275 1.00 0.00 H new ATOM 0 HB THR A 27 -11.304 4.422 6.080 1.00 0.00 H new ATOM 0 HG1 THR A 27 -11.965 4.973 8.268 1.00 0.00 H new ATOM 0 HG21 THR A 27 -10.011 6.033 7.419 1.00 0.00 H new ATOM 0 HG22 THR A 27 -10.000 6.448 5.689 1.00 0.00 H new ATOM 0 HG23 THR A 27 -11.040 7.353 6.814 1.00 0.00 H new ATOM 395 N LYS A 28 -11.140 6.664 3.452 1.00 0.00 N ATOM 396 CA LYS A 28 -10.232 6.520 2.340 1.00 0.00 C ATOM 397 C LYS A 28 -8.825 6.614 2.857 1.00 0.00 C ATOM 398 O LYS A 28 -8.366 7.674 3.290 1.00 0.00 O ATOM 399 CB LYS A 28 -10.448 7.568 1.260 1.00 0.00 C ATOM 400 CG LYS A 28 -11.533 8.564 1.582 1.00 0.00 C ATOM 401 CD LYS A 28 -11.199 9.934 1.027 1.00 0.00 C ATOM 402 CE LYS A 28 -11.709 11.057 1.921 1.00 0.00 C ATOM 403 NZ LYS A 28 -13.166 10.973 2.201 1.00 0.00 N ATOM 0 H LYS A 28 -11.168 7.596 3.865 1.00 0.00 H new ATOM 0 HA LYS A 28 -10.420 5.550 1.879 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -9.513 8.104 1.096 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -10.696 7.066 0.325 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -12.481 8.221 1.166 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -11.663 8.628 2.662 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -10.119 10.025 0.913 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -11.634 10.037 0.033 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -11.163 11.036 2.864 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -11.492 12.015 1.448 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -13.468 11.818 2.727 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -13.689 10.919 1.304 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -13.362 10.123 2.768 1.00 0.00 H new ATOM 417 N GLU A 29 -8.156 5.501 2.813 1.00 0.00 N ATOM 418 CA GLU A 29 -6.835 5.398 3.348 1.00 0.00 C ATOM 419 C GLU A 29 -5.801 5.481 2.263 1.00 0.00 C ATOM 420 O GLU A 29 -6.096 5.320 1.076 1.00 0.00 O ATOM 421 CB GLU A 29 -6.668 4.095 4.094 1.00 0.00 C ATOM 422 CG GLU A 29 -7.593 3.979 5.286 1.00 0.00 C ATOM 423 CD GLU A 29 -7.312 2.755 6.136 1.00 0.00 C ATOM 424 OE1 GLU A 29 -6.160 2.602 6.603 1.00 0.00 O ATOM 425 OE2 GLU A 29 -8.240 1.955 6.372 1.00 0.00 O ATOM 0 H GLU A 29 -8.513 4.638 2.404 1.00 0.00 H new ATOM 0 HA GLU A 29 -6.693 6.233 4.034 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -6.855 3.265 3.413 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -5.635 4.004 4.431 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -7.496 4.873 5.902 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -8.625 3.943 4.936 1.00 0.00 H new ATOM 432 N TRP A 30 -4.592 5.720 2.689 1.00 0.00 N ATOM 433 CA TRP A 30 -3.471 5.759 1.802 1.00 0.00 C ATOM 434 C TRP A 30 -2.271 5.157 2.483 1.00 0.00 C ATOM 435 O TRP A 30 -2.141 5.186 3.708 1.00 0.00 O ATOM 436 CB TRP A 30 -3.172 7.183 1.369 1.00 0.00 C ATOM 437 CG TRP A 30 -2.980 8.116 2.516 1.00 0.00 C ATOM 438 CD1 TRP A 30 -3.958 8.662 3.289 1.00 0.00 C ATOM 439 CD2 TRP A 30 -1.738 8.614 3.020 1.00 0.00 C ATOM 440 NE1 TRP A 30 -3.403 9.507 4.217 1.00 0.00 N ATOM 441 CE2 TRP A 30 -2.040 9.491 4.076 1.00 0.00 C ATOM 442 CE3 TRP A 30 -0.402 8.411 2.671 1.00 0.00 C ATOM 443 CZ2 TRP A 30 -1.049 10.167 4.780 1.00 0.00 C ATOM 444 CZ3 TRP A 30 0.575 9.078 3.372 1.00 0.00 C ATOM 445 CH2 TRP A 30 0.247 9.948 4.414 1.00 0.00 C ATOM 0 H TRP A 30 -4.359 5.894 3.667 1.00 0.00 H new ATOM 0 HA TRP A 30 -3.709 5.180 0.910 1.00 0.00 H new ATOM 0 HB2 TRP A 30 -2.274 7.187 0.751 1.00 0.00 H new ATOM 0 HB3 TRP A 30 -3.990 7.546 0.746 1.00 0.00 H new ATOM 0 HD1 TRP A 30 -5.014 8.460 3.187 1.00 0.00 H new ATOM 0 HE1 TRP A 30 -3.921 10.058 4.901 1.00 0.00 H new ATOM 0 HE3 TRP A 30 -0.140 7.742 1.865 1.00 0.00 H new ATOM 0 HZ2 TRP A 30 -1.296 10.841 5.587 1.00 0.00 H new ATOM 0 HZ3 TRP A 30 1.612 8.927 3.113 1.00 0.00 H new ATOM 0 HH2 TRP A 30 1.038 10.460 4.943 1.00 0.00 H new ATOM 456 N ARG A 31 -1.429 4.588 1.676 1.00 0.00 N ATOM 457 CA ARG A 31 -0.213 3.971 2.117 1.00 0.00 C ATOM 458 C ARG A 31 0.850 4.339 1.143 1.00 0.00 C ATOM 459 O ARG A 31 0.570 4.892 0.081 1.00 0.00 O ATOM 460 CB ARG A 31 -0.325 2.451 2.198 1.00 0.00 C ATOM 461 CG ARG A 31 -1.513 1.959 2.990 1.00 0.00 C ATOM 462 CD ARG A 31 -1.618 0.455 2.914 1.00 0.00 C ATOM 463 NE ARG A 31 -2.873 -0.056 3.451 1.00 0.00 N ATOM 464 CZ ARG A 31 -3.243 -0.002 4.728 1.00 0.00 C ATOM 465 NH1 ARG A 31 -2.445 0.524 5.653 1.00 0.00 N ATOM 466 NH2 ARG A 31 -4.412 -0.513 5.086 1.00 0.00 N ATOM 0 H ARG A 31 -1.571 4.538 0.667 1.00 0.00 H new ATOM 0 HA ARG A 31 0.017 4.323 3.123 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -0.384 2.048 1.187 1.00 0.00 H new ATOM 0 HB3 ARG A 31 0.586 2.054 2.646 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -1.417 2.270 4.030 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -2.426 2.412 2.605 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -1.519 0.141 1.875 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -0.787 0.010 3.461 1.00 0.00 H new ATOM 0 HE ARG A 31 -3.521 -0.491 2.794 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -1.532 0.895 5.388 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -2.746 0.557 6.627 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -5.017 -0.942 4.386 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -4.707 -0.478 6.062 1.00 0.00 H new ATOM 480 N CYS A 32 2.046 3.985 1.469 1.00 0.00 N ATOM 481 CA CYS A 32 3.171 4.386 0.681 1.00 0.00 C ATOM 482 C CYS A 32 3.609 3.171 -0.061 1.00 0.00 C ATOM 483 O CYS A 32 3.709 2.093 0.514 1.00 0.00 O ATOM 484 CB CYS A 32 4.309 4.884 1.566 1.00 0.00 C ATOM 485 SG CYS A 32 3.788 5.562 3.162 1.00 0.00 S ATOM 0 H CYS A 32 2.276 3.414 2.282 1.00 0.00 H new ATOM 0 HA CYS A 32 2.902 5.202 0.010 1.00 0.00 H new ATOM 0 HB2 CYS A 32 4.999 4.059 1.745 1.00 0.00 H new ATOM 0 HB3 CYS A 32 4.863 5.651 1.025 1.00 0.00 H new ATOM 0 HG CYS A 32 4.833 5.952 3.830 1.00 0.00 H new ATOM 491 N LEU A 33 3.766 3.368 -1.359 1.00 0.00 N ATOM 492 CA LEU A 33 4.032 2.309 -2.318 1.00 0.00 C ATOM 493 C LEU A 33 5.111 1.336 -1.851 1.00 0.00 C ATOM 494 O LEU A 33 5.771 1.556 -0.847 1.00 0.00 O ATOM 495 CB LEU A 33 4.401 2.951 -3.644 1.00 0.00 C ATOM 496 CG LEU A 33 3.261 2.995 -4.667 1.00 0.00 C ATOM 497 CD1 LEU A 33 1.920 3.225 -3.978 1.00 0.00 C ATOM 498 CD2 LEU A 33 3.517 4.095 -5.671 1.00 0.00 C ATOM 0 H LEU A 33 3.711 4.293 -1.786 1.00 0.00 H new ATOM 0 HA LEU A 33 3.131 1.705 -2.427 1.00 0.00 H new ATOM 0 HB2 LEU A 33 4.745 3.968 -3.458 1.00 0.00 H new ATOM 0 HB3 LEU A 33 5.240 2.406 -4.077 1.00 0.00 H new ATOM 0 HG LEU A 33 3.222 2.035 -5.181 1.00 0.00 H new ATOM 0 HD11 LEU A 33 1.127 3.252 -4.725 1.00 0.00 H new ATOM 0 HD12 LEU A 33 1.728 2.414 -3.275 1.00 0.00 H new ATOM 0 HD13 LEU A 33 1.945 4.173 -3.441 1.00 0.00 H new ATOM 0 HD21 LEU A 33 2.704 4.122 -6.396 1.00 0.00 H new ATOM 0 HD22 LEU A 33 3.575 5.053 -5.154 1.00 0.00 H new ATOM 0 HD23 LEU A 33 4.458 3.904 -6.188 1.00 0.00 H new ATOM 510 N LEU A 34 5.289 0.262 -2.590 1.00 0.00 N ATOM 511 CA LEU A 34 6.186 -0.799 -2.166 1.00 0.00 C ATOM 512 C LEU A 34 7.592 -0.281 -1.956 1.00 0.00 C ATOM 513 O LEU A 34 8.222 0.232 -2.874 1.00 0.00 O ATOM 514 CB LEU A 34 6.174 -1.936 -3.175 1.00 0.00 C ATOM 515 CG LEU A 34 4.802 -2.560 -3.384 1.00 0.00 C ATOM 516 CD1 LEU A 34 4.908 -3.778 -4.267 1.00 0.00 C ATOM 517 CD2 LEU A 34 4.174 -2.919 -2.048 1.00 0.00 C ATOM 0 H LEU A 34 4.828 0.098 -3.485 1.00 0.00 H new ATOM 0 HA LEU A 34 5.830 -1.180 -1.209 1.00 0.00 H new ATOM 0 HB2 LEU A 34 6.543 -1.564 -4.131 1.00 0.00 H new ATOM 0 HB3 LEU A 34 6.868 -2.709 -2.845 1.00 0.00 H new ATOM 0 HG LEU A 34 4.160 -1.832 -3.880 1.00 0.00 H new ATOM 0 HD11 LEU A 34 3.918 -4.213 -4.407 1.00 0.00 H new ATOM 0 HD12 LEU A 34 5.319 -3.491 -5.235 1.00 0.00 H new ATOM 0 HD13 LEU A 34 5.564 -4.512 -3.798 1.00 0.00 H new ATOM 0 HD21 LEU A 34 3.193 -3.364 -2.215 1.00 0.00 H new ATOM 0 HD22 LEU A 34 4.812 -3.632 -1.526 1.00 0.00 H new ATOM 0 HD23 LEU A 34 4.066 -2.019 -1.443 1.00 0.00 H new ATOM 529 N GLY A 35 8.060 -0.394 -0.727 1.00 0.00 N ATOM 530 CA GLY A 35 9.376 0.100 -0.386 1.00 0.00 C ATOM 531 C GLY A 35 9.422 1.610 -0.280 1.00 0.00 C ATOM 532 O GLY A 35 10.481 2.216 -0.373 1.00 0.00 O ATOM 0 H GLY A 35 7.550 -0.821 0.046 1.00 0.00 H new ATOM 0 HA2 GLY A 35 9.689 -0.337 0.562 1.00 0.00 H new ATOM 0 HA3 GLY A 35 10.090 -0.229 -1.140 1.00 0.00 H new ATOM 536 N TYR A 36 8.264 2.215 -0.126 1.00 0.00 N ATOM 537 CA TYR A 36 8.157 3.644 0.088 1.00 0.00 C ATOM 538 C TYR A 36 7.932 3.962 1.560 1.00 0.00 C ATOM 539 O TYR A 36 7.768 3.065 2.388 1.00 0.00 O ATOM 540 CB TYR A 36 7.005 4.204 -0.732 1.00 0.00 C ATOM 541 CG TYR A 36 7.286 4.312 -2.210 1.00 0.00 C ATOM 542 CD1 TYR A 36 7.775 3.238 -2.940 1.00 0.00 C ATOM 543 CD2 TYR A 36 7.057 5.498 -2.872 1.00 0.00 C ATOM 544 CE1 TYR A 36 8.025 3.351 -4.290 1.00 0.00 C ATOM 545 CE2 TYR A 36 7.303 5.623 -4.217 1.00 0.00 C ATOM 546 CZ TYR A 36 7.786 4.546 -4.927 1.00 0.00 C ATOM 547 OH TYR A 36 8.028 4.663 -6.277 1.00 0.00 O ATOM 0 H TYR A 36 7.367 1.729 -0.146 1.00 0.00 H new ATOM 0 HA TYR A 36 9.093 4.105 -0.227 1.00 0.00 H new ATOM 0 HB2 TYR A 36 6.130 3.571 -0.586 1.00 0.00 H new ATOM 0 HB3 TYR A 36 6.750 5.193 -0.350 1.00 0.00 H new ATOM 0 HD1 TYR A 36 7.963 2.298 -2.442 1.00 0.00 H new ATOM 0 HD2 TYR A 36 6.676 6.346 -2.322 1.00 0.00 H new ATOM 0 HE1 TYR A 36 8.406 2.506 -4.845 1.00 0.00 H new ATOM 0 HE2 TYR A 36 7.118 6.563 -4.717 1.00 0.00 H new ATOM 0 HH TYR A 36 7.806 5.571 -6.572 1.00 0.00 H new ATOM 557 N LYS A 37 7.919 5.247 1.872 1.00 0.00 N ATOM 558 CA LYS A 37 7.766 5.705 3.235 1.00 0.00 C ATOM 559 C LYS A 37 7.206 7.117 3.221 1.00 0.00 C ATOM 560 O LYS A 37 7.211 7.765 2.180 1.00 0.00 O ATOM 561 CB LYS A 37 9.134 5.706 3.900 1.00 0.00 C ATOM 562 CG LYS A 37 10.071 6.735 3.295 1.00 0.00 C ATOM 563 CD LYS A 37 11.330 6.899 4.122 1.00 0.00 C ATOM 564 CE LYS A 37 12.037 8.208 3.813 1.00 0.00 C ATOM 565 NZ LYS A 37 13.119 8.496 4.788 1.00 0.00 N ATOM 0 H LYS A 37 8.014 5.997 1.187 1.00 0.00 H new ATOM 0 HA LYS A 37 7.088 5.051 3.783 1.00 0.00 H new ATOM 0 HB2 LYS A 37 9.017 5.907 4.965 1.00 0.00 H new ATOM 0 HB3 LYS A 37 9.580 4.715 3.810 1.00 0.00 H new ATOM 0 HG2 LYS A 37 10.337 6.434 2.282 1.00 0.00 H new ATOM 0 HG3 LYS A 37 9.558 7.694 3.218 1.00 0.00 H new ATOM 0 HD2 LYS A 37 11.077 6.863 5.182 1.00 0.00 H new ATOM 0 HD3 LYS A 37 12.005 6.066 3.927 1.00 0.00 H new ATOM 0 HE2 LYS A 37 12.456 8.166 2.808 1.00 0.00 H new ATOM 0 HE3 LYS A 37 11.313 9.023 3.823 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 13.577 9.397 4.543 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 12.716 8.562 5.744 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 13.823 7.731 4.761 1.00 0.00 H new ATOM 579 N LYS A 38 6.716 7.598 4.350 1.00 0.00 N ATOM 580 CA LYS A 38 6.292 8.981 4.442 1.00 0.00 C ATOM 581 C LYS A 38 7.487 9.912 4.567 1.00 0.00 C ATOM 582 O LYS A 38 8.222 9.859 5.553 1.00 0.00 O ATOM 583 CB LYS A 38 5.357 9.178 5.605 1.00 0.00 C ATOM 584 CG LYS A 38 4.109 8.343 5.483 1.00 0.00 C ATOM 585 CD LYS A 38 2.979 8.988 6.226 1.00 0.00 C ATOM 586 CE LYS A 38 1.913 7.979 6.609 1.00 0.00 C ATOM 587 NZ LYS A 38 2.475 6.840 7.384 1.00 0.00 N ATOM 0 H LYS A 38 6.603 7.057 5.207 1.00 0.00 H new ATOM 0 HA LYS A 38 5.760 9.226 3.522 1.00 0.00 H new ATOM 0 HB2 LYS A 38 5.873 8.923 6.531 1.00 0.00 H new ATOM 0 HB3 LYS A 38 5.082 10.231 5.673 1.00 0.00 H new ATOM 0 HG2 LYS A 38 3.843 8.225 4.433 1.00 0.00 H new ATOM 0 HG3 LYS A 38 4.291 7.344 5.879 1.00 0.00 H new ATOM 0 HD2 LYS A 38 3.363 9.471 7.125 1.00 0.00 H new ATOM 0 HD3 LYS A 38 2.536 9.769 5.608 1.00 0.00 H new ATOM 0 HE2 LYS A 38 1.142 8.473 7.199 1.00 0.00 H new ATOM 0 HE3 LYS A 38 1.431 7.601 5.707 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 1.746 6.461 8.022 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 2.784 6.093 6.729 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 3.288 7.168 7.943 1.00 0.00 H new ATOM 601 N GLY A 39 7.667 10.771 3.577 1.00 0.00 N ATOM 602 CA GLY A 39 8.828 11.634 3.556 1.00 0.00 C ATOM 603 C GLY A 39 8.473 13.103 3.614 1.00 0.00 C ATOM 604 O GLY A 39 8.979 13.843 4.458 1.00 0.00 O ATOM 0 H GLY A 39 7.031 10.886 2.788 1.00 0.00 H new ATOM 0 HA2 GLY A 39 9.472 11.388 4.400 1.00 0.00 H new ATOM 0 HA3 GLY A 39 9.402 11.440 2.650 1.00 0.00 H new ATOM 608 N GLU A 40 7.591 13.523 2.725 1.00 0.00 N ATOM 609 CA GLU A 40 7.285 14.930 2.565 1.00 0.00 C ATOM 610 C GLU A 40 6.042 15.362 3.352 1.00 0.00 C ATOM 611 O GLU A 40 5.321 16.269 2.938 1.00 0.00 O ATOM 612 CB GLU A 40 7.159 15.257 1.072 1.00 0.00 C ATOM 613 CG GLU A 40 6.365 14.245 0.249 1.00 0.00 C ATOM 614 CD GLU A 40 6.411 14.558 -1.230 1.00 0.00 C ATOM 615 OE1 GLU A 40 5.609 15.398 -1.685 1.00 0.00 O ATOM 616 OE2 GLU A 40 7.252 13.975 -1.941 1.00 0.00 O ATOM 0 H GLU A 40 7.073 12.905 2.101 1.00 0.00 H new ATOM 0 HA GLU A 40 8.109 15.505 2.988 1.00 0.00 H new ATOM 0 HB2 GLU A 40 6.688 16.234 0.969 1.00 0.00 H new ATOM 0 HB3 GLU A 40 8.160 15.340 0.649 1.00 0.00 H new ATOM 0 HG2 GLU A 40 6.764 13.245 0.421 1.00 0.00 H new ATOM 0 HG3 GLU A 40 5.328 14.237 0.586 1.00 0.00 H new ATOM 623 N GLY A 41 5.817 14.718 4.498 1.00 0.00 N ATOM 624 CA GLY A 41 4.773 15.145 5.425 1.00 0.00 C ATOM 625 C GLY A 41 3.372 14.782 4.981 1.00 0.00 C ATOM 626 O GLY A 41 2.766 15.500 4.188 1.00 0.00 O ATOM 0 H GLY A 41 6.344 13.900 4.805 1.00 0.00 H new ATOM 0 HA2 GLY A 41 4.962 14.697 6.401 1.00 0.00 H new ATOM 0 HA3 GLY A 41 4.834 16.226 5.553 1.00 0.00 H new ATOM 630 N ASN A 42 2.834 13.697 5.548 1.00 0.00 N ATOM 631 CA ASN A 42 1.567 13.133 5.090 1.00 0.00 C ATOM 632 C ASN A 42 1.662 12.865 3.609 1.00 0.00 C ATOM 633 O ASN A 42 0.845 13.335 2.824 1.00 0.00 O ATOM 634 CB ASN A 42 0.395 14.072 5.363 1.00 0.00 C ATOM 635 CG ASN A 42 -0.086 14.026 6.799 1.00 0.00 C ATOM 636 OD1 ASN A 42 0.671 13.717 7.718 1.00 0.00 O ATOM 637 ND2 ASN A 42 -1.352 14.348 6.999 1.00 0.00 N ATOM 0 H ASN A 42 3.260 13.193 6.326 1.00 0.00 H new ATOM 0 HA ASN A 42 1.385 12.209 5.639 1.00 0.00 H new ATOM 0 HB2 ASN A 42 0.691 15.092 5.118 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -0.432 13.813 4.701 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -1.735 14.346 7.944 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -1.946 14.598 6.208 1.00 0.00 H new ATOM 644 N THR A 43 2.698 12.141 3.230 1.00 0.00 N ATOM 645 CA THR A 43 3.010 11.920 1.833 1.00 0.00 C ATOM 646 C THR A 43 4.035 10.816 1.732 1.00 0.00 C ATOM 647 O THR A 43 4.735 10.537 2.697 1.00 0.00 O ATOM 648 CB THR A 43 3.593 13.169 1.158 1.00 0.00 C ATOM 649 OG1 THR A 43 3.181 14.366 1.819 1.00 0.00 O ATOM 650 CG2 THR A 43 3.148 13.248 -0.277 1.00 0.00 C ATOM 0 H THR A 43 3.344 11.692 3.879 1.00 0.00 H new ATOM 0 HA THR A 43 2.080 11.661 1.328 1.00 0.00 H new ATOM 0 HB THR A 43 4.678 13.082 1.216 1.00 0.00 H new ATOM 0 HG1 THR A 43 3.435 15.143 1.278 1.00 0.00 H new ATOM 0 HG21 THR A 43 3.570 14.140 -0.740 1.00 0.00 H new ATOM 0 HG22 THR A 43 3.491 12.363 -0.813 1.00 0.00 H new ATOM 0 HG23 THR A 43 2.060 13.299 -0.318 1.00 0.00 H new ATOM 658 N CYS A 44 4.143 10.206 0.573 1.00 0.00 N ATOM 659 CA CYS A 44 5.011 9.064 0.416 1.00 0.00 C ATOM 660 C CYS A 44 6.124 9.351 -0.579 1.00 0.00 C ATOM 661 O CYS A 44 5.965 10.159 -1.493 1.00 0.00 O ATOM 662 CB CYS A 44 4.178 7.872 -0.019 1.00 0.00 C ATOM 663 SG CYS A 44 2.687 7.659 0.978 1.00 0.00 S ATOM 0 H CYS A 44 3.642 10.482 -0.272 1.00 0.00 H new ATOM 0 HA CYS A 44 5.490 8.841 1.369 1.00 0.00 H new ATOM 0 HB2 CYS A 44 3.896 7.994 -1.065 1.00 0.00 H new ATOM 0 HB3 CYS A 44 4.784 6.968 0.044 1.00 0.00 H new ATOM 0 HG CYS A 44 2.960 6.924 2.015 1.00 0.00 H new ATOM 669 N VAL A 45 7.254 8.698 -0.362 1.00 0.00 N ATOM 670 CA VAL A 45 8.442 8.844 -1.180 1.00 0.00 C ATOM 671 C VAL A 45 9.191 7.518 -1.201 1.00 0.00 C ATOM 672 O VAL A 45 8.906 6.631 -0.394 1.00 0.00 O ATOM 673 CB VAL A 45 9.390 9.931 -0.629 1.00 0.00 C ATOM 674 CG1 VAL A 45 8.748 11.310 -0.680 1.00 0.00 C ATOM 675 CG2 VAL A 45 9.824 9.598 0.792 1.00 0.00 C ATOM 0 H VAL A 45 7.371 8.037 0.406 1.00 0.00 H new ATOM 0 HA VAL A 45 8.126 9.139 -2.181 1.00 0.00 H new ATOM 0 HB VAL A 45 10.273 9.951 -1.268 1.00 0.00 H new ATOM 0 HG11 VAL A 45 9.444 12.050 -0.284 1.00 0.00 H new ATOM 0 HG12 VAL A 45 8.502 11.559 -1.712 1.00 0.00 H new ATOM 0 HG13 VAL A 45 7.838 11.310 -0.080 1.00 0.00 H new ATOM 0 HG21 VAL A 45 10.491 10.377 1.161 1.00 0.00 H new ATOM 0 HG22 VAL A 45 8.946 9.538 1.436 1.00 0.00 H new ATOM 0 HG23 VAL A 45 10.345 8.641 0.798 1.00 0.00 H new ATOM 685 N GLU A 46 10.147 7.388 -2.108 1.00 0.00 N ATOM 686 CA GLU A 46 10.931 6.164 -2.233 1.00 0.00 C ATOM 687 C GLU A 46 11.817 5.951 -1.008 1.00 0.00 C ATOM 688 O GLU A 46 12.760 6.707 -0.768 1.00 0.00 O ATOM 689 CB GLU A 46 11.807 6.237 -3.485 1.00 0.00 C ATOM 690 CG GLU A 46 11.529 5.149 -4.515 1.00 0.00 C ATOM 691 CD GLU A 46 12.290 5.372 -5.806 1.00 0.00 C ATOM 692 OE1 GLU A 46 11.823 6.169 -6.645 1.00 0.00 O ATOM 693 OE2 GLU A 46 13.367 4.764 -5.981 1.00 0.00 O ATOM 0 H GLU A 46 10.401 8.118 -2.773 1.00 0.00 H new ATOM 0 HA GLU A 46 10.240 5.325 -2.311 1.00 0.00 H new ATOM 0 HB2 GLU A 46 11.666 7.210 -3.956 1.00 0.00 H new ATOM 0 HB3 GLU A 46 12.853 6.177 -3.185 1.00 0.00 H new ATOM 0 HG2 GLU A 46 11.801 4.179 -4.098 1.00 0.00 H new ATOM 0 HG3 GLU A 46 10.460 5.117 -4.727 1.00 0.00 H new ATOM 700 N ASN A 47 11.512 4.919 -0.243 1.00 0.00 N ATOM 701 CA ASN A 47 12.318 4.557 0.912 1.00 0.00 C ATOM 702 C ASN A 47 13.404 3.582 0.466 1.00 0.00 C ATOM 703 O ASN A 47 13.123 2.438 0.122 1.00 0.00 O ATOM 704 CB ASN A 47 11.430 3.952 2.005 1.00 0.00 C ATOM 705 CG ASN A 47 12.199 3.560 3.250 1.00 0.00 C ATOM 706 OD1 ASN A 47 13.305 4.036 3.493 1.00 0.00 O ATOM 707 ND2 ASN A 47 11.589 2.723 4.070 1.00 0.00 N ATOM 0 H ASN A 47 10.707 4.312 -0.401 1.00 0.00 H new ATOM 0 HA ASN A 47 12.794 5.442 1.333 1.00 0.00 H new ATOM 0 HB2 ASN A 47 10.657 4.671 2.275 1.00 0.00 H new ATOM 0 HB3 ASN A 47 10.923 3.073 1.607 1.00 0.00 H new ATOM 0 HD21 ASN A 47 12.037 2.448 4.944 1.00 0.00 H new ATOM 0 HD22 ASN A 47 10.670 2.351 3.829 1.00 0.00 H new ATOM 714 N ASN A 48 14.647 4.046 0.463 1.00 0.00 N ATOM 715 CA ASN A 48 15.742 3.313 -0.174 1.00 0.00 C ATOM 716 C ASN A 48 16.232 2.135 0.666 1.00 0.00 C ATOM 717 O ASN A 48 17.252 1.520 0.357 1.00 0.00 O ATOM 718 CB ASN A 48 16.890 4.257 -0.485 1.00 0.00 C ATOM 719 CG ASN A 48 17.205 4.222 -1.959 1.00 0.00 C ATOM 720 OD1 ASN A 48 16.526 5.065 -2.713 1.00 0.00 O flip ATOM 721 ND2 ASN A 48 18.041 3.451 -2.419 1.00 0.00 N flip ATOM 0 H ASN A 48 14.926 4.927 0.894 1.00 0.00 H new ATOM 0 HA ASN A 48 15.351 2.895 -1.102 1.00 0.00 H new ATOM 0 HB2 ASN A 48 16.628 5.272 -0.185 1.00 0.00 H new ATOM 0 HB3 ASN A 48 17.771 3.972 0.090 1.00 0.00 H new ATOM 0 HD21 ASN A 48 18.544 2.815 -1.800 1.00 0.00 H new ATOM 0 HD22 ASN A 48 18.233 3.446 -3.421 1.00 0.00 H new ATOM 728 N ASN A 49 15.481 1.816 1.708 1.00 0.00 N ATOM 729 CA ASN A 49 15.804 0.717 2.602 1.00 0.00 C ATOM 730 C ASN A 49 14.544 0.308 3.350 1.00 0.00 C ATOM 731 O ASN A 49 14.396 0.574 4.544 1.00 0.00 O ATOM 732 CB ASN A 49 16.891 1.130 3.591 1.00 0.00 C ATOM 733 CG ASN A 49 17.508 -0.056 4.321 1.00 0.00 C ATOM 734 OD1 ASN A 49 18.489 -0.642 3.861 1.00 0.00 O ATOM 735 ND2 ASN A 49 16.943 -0.416 5.466 1.00 0.00 N ATOM 0 H ASN A 49 14.627 2.314 1.958 1.00 0.00 H new ATOM 0 HA ASN A 49 16.180 -0.125 2.020 1.00 0.00 H new ATOM 0 HB2 ASN A 49 17.674 1.670 3.058 1.00 0.00 H new ATOM 0 HB3 ASN A 49 16.468 1.820 4.321 1.00 0.00 H new ATOM 0 HD21 ASN A 49 17.320 -1.202 5.996 1.00 0.00 H new ATOM 0 HD22 ASN A 49 16.131 0.093 5.816 1.00 0.00 H new ATOM 742 N PRO A 50 13.612 -0.339 2.647 1.00 0.00 N ATOM 743 CA PRO A 50 12.311 -0.679 3.188 1.00 0.00 C ATOM 744 C PRO A 50 12.356 -1.918 4.057 1.00 0.00 C ATOM 745 O PRO A 50 13.002 -2.907 3.718 1.00 0.00 O ATOM 746 CB PRO A 50 11.450 -0.931 1.952 1.00 0.00 C ATOM 747 CG PRO A 50 12.365 -0.895 0.771 1.00 0.00 C ATOM 748 CD PRO A 50 13.766 -0.831 1.284 1.00 0.00 C ATOM 0 HA PRO A 50 11.927 0.113 3.831 1.00 0.00 H new ATOM 0 HB2 PRO A 50 10.947 -1.896 2.022 1.00 0.00 H new ATOM 0 HB3 PRO A 50 10.673 -0.172 1.862 1.00 0.00 H new ATOM 0 HG2 PRO A 50 12.225 -1.781 0.151 1.00 0.00 H new ATOM 0 HG3 PRO A 50 12.147 -0.030 0.145 1.00 0.00 H new ATOM 0 HD2 PRO A 50 14.245 -1.810 1.263 1.00 0.00 H new ATOM 0 HD3 PRO A 50 14.382 -0.162 0.684 1.00 0.00 H new ATOM 756 N THR A 51 11.680 -1.846 5.182 1.00 0.00 N ATOM 757 CA THR A 51 11.654 -2.936 6.125 1.00 0.00 C ATOM 758 C THR A 51 10.215 -3.366 6.377 1.00 0.00 C ATOM 759 O THR A 51 9.292 -2.552 6.296 1.00 0.00 O ATOM 760 CB THR A 51 12.334 -2.536 7.453 1.00 0.00 C ATOM 761 OG1 THR A 51 12.543 -3.693 8.275 1.00 0.00 O ATOM 762 CG2 THR A 51 11.499 -1.515 8.209 1.00 0.00 C ATOM 0 H THR A 51 11.135 -1.032 5.466 1.00 0.00 H new ATOM 0 HA THR A 51 12.210 -3.773 5.701 1.00 0.00 H new ATOM 0 HB THR A 51 13.297 -2.086 7.213 1.00 0.00 H new ATOM 0 HG1 THR A 51 11.682 -4.010 8.619 1.00 0.00 H new ATOM 0 HG21 THR A 51 12.001 -1.251 9.140 1.00 0.00 H new ATOM 0 HG22 THR A 51 11.376 -0.621 7.597 1.00 0.00 H new ATOM 0 HG23 THR A 51 10.520 -1.939 8.433 1.00 0.00 H new ATOM 770 N CYS A 52 10.024 -4.634 6.674 1.00 0.00 N ATOM 771 CA CYS A 52 8.726 -5.117 7.103 1.00 0.00 C ATOM 772 C CYS A 52 8.578 -4.821 8.597 1.00 0.00 C ATOM 773 O CYS A 52 9.570 -4.496 9.243 1.00 0.00 O ATOM 774 CB CYS A 52 8.600 -6.615 6.776 1.00 0.00 C ATOM 775 SG CYS A 52 7.535 -7.571 7.883 1.00 0.00 S ATOM 0 H CYS A 52 10.750 -5.349 6.627 1.00 0.00 H new ATOM 0 HA CYS A 52 7.917 -4.612 6.575 1.00 0.00 H new ATOM 0 HB2 CYS A 52 8.220 -6.716 5.759 1.00 0.00 H new ATOM 0 HB3 CYS A 52 9.597 -7.056 6.789 1.00 0.00 H new ATOM 0 HG CYS A 52 6.429 -7.871 7.269 1.00 0.00 H new ATOM 781 N ASP A 53 7.339 -4.903 9.107 1.00 0.00 N ATOM 782 CA ASP A 53 6.946 -4.435 10.455 1.00 0.00 C ATOM 783 C ASP A 53 6.455 -3.006 10.364 1.00 0.00 C ATOM 784 O ASP A 53 5.497 -2.607 11.023 1.00 0.00 O ATOM 785 CB ASP A 53 8.076 -4.478 11.489 1.00 0.00 C ATOM 786 CG ASP A 53 7.564 -4.531 12.914 1.00 0.00 C ATOM 787 OD1 ASP A 53 7.295 -3.463 13.498 1.00 0.00 O ATOM 788 OD2 ASP A 53 7.438 -5.648 13.462 1.00 0.00 O ATOM 0 H ASP A 53 6.561 -5.305 8.585 1.00 0.00 H new ATOM 0 HA ASP A 53 6.170 -5.121 10.794 1.00 0.00 H new ATOM 0 HB2 ASP A 53 8.703 -5.350 11.300 1.00 0.00 H new ATOM 0 HB3 ASP A 53 8.708 -3.598 11.367 1.00 0.00 H new ATOM 793 N ILE A 54 7.110 -2.250 9.505 1.00 0.00 N ATOM 794 CA ILE A 54 6.917 -0.819 9.427 1.00 0.00 C ATOM 795 C ILE A 54 6.309 -0.454 8.101 1.00 0.00 C ATOM 796 O ILE A 54 6.951 -0.594 7.058 1.00 0.00 O ATOM 797 CB ILE A 54 8.259 -0.093 9.614 1.00 0.00 C ATOM 798 CG1 ILE A 54 8.985 -0.694 10.827 1.00 0.00 C ATOM 799 CG2 ILE A 54 8.035 1.405 9.771 1.00 0.00 C ATOM 800 CD1 ILE A 54 10.300 -0.036 11.171 1.00 0.00 C ATOM 0 H ILE A 54 7.793 -2.614 8.840 1.00 0.00 H new ATOM 0 HA ILE A 54 6.239 -0.510 10.222 1.00 0.00 H new ATOM 0 HB ILE A 54 8.885 -0.230 8.732 1.00 0.00 H new ATOM 0 HG12 ILE A 54 8.327 -0.632 11.694 1.00 0.00 H new ATOM 0 HG13 ILE A 54 9.164 -1.752 10.637 1.00 0.00 H new ATOM 0 HG21 ILE A 54 8.995 1.905 9.902 1.00 0.00 H new ATOM 0 HG22 ILE A 54 7.542 1.795 8.880 1.00 0.00 H new ATOM 0 HG23 ILE A 54 7.407 1.590 10.643 1.00 0.00 H new ATOM 0 HD11 ILE A 54 10.737 -0.528 12.040 1.00 0.00 H new ATOM 0 HD12 ILE A 54 10.982 -0.121 10.325 1.00 0.00 H new ATOM 0 HD13 ILE A 54 10.132 1.017 11.397 1.00 0.00 H new ATOM 812 N ASN A 55 5.045 -0.033 8.146 1.00 0.00 N ATOM 813 CA ASN A 55 4.301 0.294 6.938 1.00 0.00 C ATOM 814 C ASN A 55 4.136 -0.963 6.093 1.00 0.00 C ATOM 815 O ASN A 55 3.808 -0.900 4.911 1.00 0.00 O ATOM 816 CB ASN A 55 5.050 1.381 6.172 1.00 0.00 C ATOM 817 CG ASN A 55 4.229 2.019 5.075 1.00 0.00 C ATOM 818 OD1 ASN A 55 2.999 2.097 5.153 1.00 0.00 O ATOM 819 ND2 ASN A 55 4.908 2.490 4.048 1.00 0.00 N ATOM 0 H ASN A 55 4.517 0.089 9.010 1.00 0.00 H new ATOM 0 HA ASN A 55 3.309 0.669 7.190 1.00 0.00 H new ATOM 0 HB2 ASN A 55 5.370 2.153 6.872 1.00 0.00 H new ATOM 0 HB3 ASN A 55 5.953 0.952 5.737 1.00 0.00 H new ATOM 0 HD21 ASN A 55 4.417 2.941 3.276 1.00 0.00 H new ATOM 0 HD22 ASN A 55 5.924 2.404 4.026 1.00 0.00 H new ATOM 826 N ASN A 56 4.381 -2.106 6.733 1.00 0.00 N ATOM 827 CA ASN A 56 4.384 -3.405 6.072 1.00 0.00 C ATOM 828 C ASN A 56 5.414 -3.412 4.931 1.00 0.00 C ATOM 829 O ASN A 56 5.318 -4.202 3.997 1.00 0.00 O ATOM 830 CB ASN A 56 2.980 -3.743 5.535 1.00 0.00 C ATOM 831 CG ASN A 56 2.716 -5.233 5.450 1.00 0.00 C ATOM 832 OD1 ASN A 56 3.050 -5.986 6.360 1.00 0.00 O ATOM 833 ND2 ASN A 56 2.105 -5.670 4.362 1.00 0.00 N ATOM 0 H ASN A 56 4.584 -2.154 7.731 1.00 0.00 H new ATOM 0 HA ASN A 56 4.662 -4.167 6.800 1.00 0.00 H new ATOM 0 HB2 ASN A 56 2.231 -3.284 6.180 1.00 0.00 H new ATOM 0 HB3 ASN A 56 2.861 -3.302 4.545 1.00 0.00 H new ATOM 0 HD21 ASN A 56 1.896 -6.663 4.258 1.00 0.00 H new ATOM 0 HD22 ASN A 56 1.842 -5.014 3.626 1.00 0.00 H new ATOM 840 N GLY A 57 6.406 -2.520 5.026 1.00 0.00 N ATOM 841 CA GLY A 57 7.392 -2.360 3.968 1.00 0.00 C ATOM 842 C GLY A 57 6.812 -1.664 2.751 1.00 0.00 C ATOM 843 O GLY A 57 7.307 -1.813 1.637 1.00 0.00 O ATOM 0 H GLY A 57 6.542 -1.902 5.826 1.00 0.00 H new ATOM 0 HA2 GLY A 57 8.238 -1.786 4.345 1.00 0.00 H new ATOM 0 HA3 GLY A 57 7.775 -3.339 3.678 1.00 0.00 H new ATOM 847 N GLY A 58 5.756 -0.899 2.975 1.00 0.00 N ATOM 848 CA GLY A 58 5.074 -0.227 1.890 1.00 0.00 C ATOM 849 C GLY A 58 3.989 -1.105 1.307 1.00 0.00 C ATOM 850 O GLY A 58 3.525 -0.894 0.191 1.00 0.00 O ATOM 0 H GLY A 58 5.356 -0.730 3.898 1.00 0.00 H new ATOM 0 HA2 GLY A 58 4.638 0.705 2.251 1.00 0.00 H new ATOM 0 HA3 GLY A 58 5.791 0.036 1.112 1.00 0.00 H new ATOM 854 N CYS A 59 3.593 -2.095 2.085 1.00 0.00 N ATOM 855 CA CYS A 59 2.607 -3.075 1.669 1.00 0.00 C ATOM 856 C CYS A 59 1.341 -2.936 2.506 1.00 0.00 C ATOM 857 O CYS A 59 1.279 -2.117 3.422 1.00 0.00 O ATOM 858 CB CYS A 59 3.191 -4.484 1.803 1.00 0.00 C ATOM 859 SG CYS A 59 4.605 -4.795 0.726 1.00 0.00 S ATOM 0 H CYS A 59 3.949 -2.243 3.029 1.00 0.00 H new ATOM 0 HA CYS A 59 2.347 -2.901 0.625 1.00 0.00 H new ATOM 0 HB2 CYS A 59 3.493 -4.645 2.838 1.00 0.00 H new ATOM 0 HB3 CYS A 59 2.411 -5.213 1.582 1.00 0.00 H new ATOM 0 HG CYS A 59 4.899 -6.061 0.751 1.00 0.00 H new ATOM 865 N ASP A 60 0.339 -3.739 2.191 1.00 0.00 N ATOM 866 CA ASP A 60 -0.929 -3.706 2.914 1.00 0.00 C ATOM 867 C ASP A 60 -0.961 -4.838 3.920 1.00 0.00 C ATOM 868 O ASP A 60 -0.453 -5.913 3.645 1.00 0.00 O ATOM 869 CB ASP A 60 -2.092 -3.894 1.937 1.00 0.00 C ATOM 870 CG ASP A 60 -3.451 -3.679 2.586 1.00 0.00 C ATOM 871 OD1 ASP A 60 -3.992 -4.642 3.173 1.00 0.00 O ATOM 872 OD2 ASP A 60 -3.983 -2.548 2.512 1.00 0.00 O ATOM 0 H ASP A 60 0.376 -4.425 1.437 1.00 0.00 H new ATOM 0 HA ASP A 60 -1.023 -2.745 3.419 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -1.978 -3.198 1.106 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -2.050 -4.900 1.519 1.00 0.00 H new ATOM 877 N PRO A 61 -1.529 -4.596 5.115 1.00 0.00 N ATOM 878 CA PRO A 61 -1.630 -5.601 6.174 1.00 0.00 C ATOM 879 C PRO A 61 -2.199 -6.943 5.691 1.00 0.00 C ATOM 880 O PRO A 61 -1.945 -7.982 6.304 1.00 0.00 O ATOM 881 CB PRO A 61 -2.580 -4.956 7.179 1.00 0.00 C ATOM 882 CG PRO A 61 -2.423 -3.500 6.987 1.00 0.00 C ATOM 883 CD PRO A 61 -2.088 -3.300 5.544 1.00 0.00 C ATOM 0 HA PRO A 61 -0.649 -5.851 6.577 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -3.610 -5.267 7.002 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -2.330 -5.247 8.199 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -3.340 -2.972 7.250 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -1.634 -3.106 7.627 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -2.972 -3.037 4.963 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -1.368 -2.493 5.411 1.00 0.00 H new ATOM 891 N THR A 62 -2.985 -6.917 4.614 1.00 0.00 N ATOM 892 CA THR A 62 -3.495 -8.145 4.012 1.00 0.00 C ATOM 893 C THR A 62 -2.401 -8.823 3.190 1.00 0.00 C ATOM 894 O THR A 62 -2.278 -10.049 3.177 1.00 0.00 O ATOM 895 CB THR A 62 -4.718 -7.872 3.111 1.00 0.00 C ATOM 896 OG1 THR A 62 -4.382 -6.928 2.085 1.00 0.00 O ATOM 897 CG2 THR A 62 -5.887 -7.340 3.924 1.00 0.00 C ATOM 0 H THR A 62 -3.280 -6.061 4.144 1.00 0.00 H new ATOM 0 HA THR A 62 -3.808 -8.802 4.824 1.00 0.00 H new ATOM 0 HB THR A 62 -5.011 -8.817 2.653 1.00 0.00 H new ATOM 0 HG1 THR A 62 -4.511 -6.017 2.423 1.00 0.00 H new ATOM 0 HG21 THR A 62 -6.735 -7.156 3.264 1.00 0.00 H new ATOM 0 HG22 THR A 62 -6.168 -8.073 4.680 1.00 0.00 H new ATOM 0 HG23 THR A 62 -5.598 -6.409 4.411 1.00 0.00 H new ATOM 905 N ALA A 63 -1.610 -8.000 2.519 1.00 0.00 N ATOM 906 CA ALA A 63 -0.502 -8.446 1.712 1.00 0.00 C ATOM 907 C ALA A 63 0.638 -8.963 2.581 1.00 0.00 C ATOM 908 O ALA A 63 1.218 -8.219 3.374 1.00 0.00 O ATOM 909 CB ALA A 63 -0.034 -7.291 0.838 1.00 0.00 C ATOM 0 H ALA A 63 -1.728 -6.987 2.525 1.00 0.00 H new ATOM 0 HA ALA A 63 -0.828 -9.273 1.081 1.00 0.00 H new ATOM 0 HB1 ALA A 63 0.805 -7.617 0.223 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -0.852 -6.967 0.195 1.00 0.00 H new ATOM 0 HB3 ALA A 63 0.281 -6.461 1.470 1.00 0.00 H new ATOM 915 N SER A 64 0.939 -10.246 2.439 1.00 0.00 N ATOM 916 CA SER A 64 2.053 -10.864 3.141 1.00 0.00 C ATOM 917 C SER A 64 3.367 -10.216 2.704 1.00 0.00 C ATOM 918 O SER A 64 3.883 -10.498 1.623 1.00 0.00 O ATOM 919 CB SER A 64 2.074 -12.370 2.861 1.00 0.00 C ATOM 920 OG SER A 64 2.992 -13.046 3.705 1.00 0.00 O ATOM 0 H SER A 64 0.420 -10.885 1.837 1.00 0.00 H new ATOM 0 HA SER A 64 1.932 -10.713 4.214 1.00 0.00 H new ATOM 0 HB2 SER A 64 1.075 -12.781 3.006 1.00 0.00 H new ATOM 0 HB3 SER A 64 2.342 -12.543 1.819 1.00 0.00 H new ATOM 0 HG SER A 64 2.979 -14.004 3.501 1.00 0.00 H new ATOM 926 N CYS A 65 3.865 -9.322 3.547 1.00 0.00 N ATOM 927 CA CYS A 65 5.079 -8.578 3.308 1.00 0.00 C ATOM 928 C CYS A 65 6.329 -9.432 3.507 1.00 0.00 C ATOM 929 O CYS A 65 6.400 -10.252 4.424 1.00 0.00 O ATOM 930 CB CYS A 65 5.106 -7.428 4.296 1.00 0.00 C ATOM 931 SG CYS A 65 5.078 -7.982 6.016 1.00 0.00 S ATOM 0 H CYS A 65 3.420 -9.094 4.436 1.00 0.00 H new ATOM 0 HA CYS A 65 5.084 -8.233 2.274 1.00 0.00 H new ATOM 0 HB2 CYS A 65 6.001 -6.830 4.126 1.00 0.00 H new ATOM 0 HB3 CYS A 65 4.250 -6.779 4.114 1.00 0.00 H new ATOM 0 HG CYS A 65 4.247 -7.248 6.695 1.00 0.00 H new ATOM 937 N GLN A 66 7.306 -9.231 2.637 1.00 0.00 N ATOM 938 CA GLN A 66 8.609 -9.856 2.770 1.00 0.00 C ATOM 939 C GLN A 66 9.689 -8.785 2.712 1.00 0.00 C ATOM 940 O GLN A 66 9.682 -7.940 1.819 1.00 0.00 O ATOM 941 CB GLN A 66 8.821 -10.884 1.661 1.00 0.00 C ATOM 942 CG GLN A 66 7.641 -11.825 1.496 1.00 0.00 C ATOM 943 CD GLN A 66 7.881 -12.953 0.506 1.00 0.00 C ATOM 944 OE1 GLN A 66 9.120 -13.406 0.378 1.00 0.00 O flip ATOM 945 NE2 GLN A 66 6.946 -13.427 -0.139 1.00 0.00 N flip ATOM 0 H GLN A 66 7.216 -8.629 1.818 1.00 0.00 H new ATOM 0 HA GLN A 66 8.664 -10.372 3.728 1.00 0.00 H new ATOM 0 HB2 GLN A 66 8.999 -10.364 0.720 1.00 0.00 H new ATOM 0 HB3 GLN A 66 9.716 -11.466 1.878 1.00 0.00 H new ATOM 0 HG2 GLN A 66 7.394 -12.254 2.467 1.00 0.00 H new ATOM 0 HG3 GLN A 66 6.774 -11.250 1.172 1.00 0.00 H new ATOM 0 HE21 GLN A 66 6.003 -13.056 -0.018 1.00 0.00 H new ATOM 0 HE22 GLN A 66 7.114 -14.190 -0.794 1.00 0.00 H new ATOM 954 N ASN A 67 10.603 -8.822 3.667 1.00 0.00 N ATOM 955 CA ASN A 67 11.635 -7.800 3.801 1.00 0.00 C ATOM 956 C ASN A 67 12.871 -8.175 2.982 1.00 0.00 C ATOM 957 O ASN A 67 13.324 -9.323 3.030 1.00 0.00 O ATOM 958 CB ASN A 67 11.988 -7.640 5.282 1.00 0.00 C ATOM 959 CG ASN A 67 12.998 -6.549 5.540 1.00 0.00 C ATOM 960 OD1 ASN A 67 13.086 -5.575 4.798 1.00 0.00 O ATOM 961 ND2 ASN A 67 13.747 -6.693 6.616 1.00 0.00 N ATOM 0 H ASN A 67 10.653 -9.558 4.371 1.00 0.00 H new ATOM 0 HA ASN A 67 11.261 -6.851 3.417 1.00 0.00 H new ATOM 0 HB2 ASN A 67 11.079 -7.425 5.844 1.00 0.00 H new ATOM 0 HB3 ASN A 67 12.380 -8.585 5.659 1.00 0.00 H new ATOM 0 HD21 ASN A 67 14.433 -5.978 6.859 1.00 0.00 H new ATOM 0 HD22 ASN A 67 13.640 -7.519 7.205 1.00 0.00 H new ATOM 968 N ALA A 68 13.410 -7.215 2.228 1.00 0.00 N ATOM 969 CA ALA A 68 14.524 -7.489 1.324 1.00 0.00 C ATOM 970 C ALA A 68 15.168 -6.204 0.823 1.00 0.00 C ATOM 971 O ALA A 68 14.609 -5.119 0.970 1.00 0.00 O ATOM 972 CB ALA A 68 14.046 -8.314 0.140 1.00 0.00 C ATOM 0 H ALA A 68 13.093 -6.245 2.227 1.00 0.00 H new ATOM 0 HA ALA A 68 15.273 -8.049 1.884 1.00 0.00 H new ATOM 0 HB1 ALA A 68 14.885 -8.512 -0.527 1.00 0.00 H new ATOM 0 HB2 ALA A 68 13.635 -9.258 0.497 1.00 0.00 H new ATOM 0 HB3 ALA A 68 13.275 -7.764 -0.400 1.00 0.00 H new ATOM 978 N GLU A 69 16.356 -6.342 0.250 1.00 0.00 N ATOM 979 CA GLU A 69 17.057 -5.240 -0.372 1.00 0.00 C ATOM 980 C GLU A 69 17.166 -5.495 -1.878 1.00 0.00 C ATOM 981 O GLU A 69 17.120 -6.643 -2.321 1.00 0.00 O ATOM 982 CB GLU A 69 18.435 -5.099 0.267 1.00 0.00 C ATOM 983 CG GLU A 69 19.329 -4.083 -0.414 1.00 0.00 C ATOM 984 CD GLU A 69 18.795 -2.664 -0.340 1.00 0.00 C ATOM 985 OE1 GLU A 69 17.848 -2.338 -1.086 1.00 0.00 O ATOM 986 OE2 GLU A 69 19.336 -1.862 0.449 1.00 0.00 O ATOM 0 H GLU A 69 16.858 -7.229 0.206 1.00 0.00 H new ATOM 0 HA GLU A 69 16.511 -4.309 -0.222 1.00 0.00 H new ATOM 0 HB2 GLU A 69 18.312 -4.817 1.313 1.00 0.00 H new ATOM 0 HB3 GLU A 69 18.931 -6.070 0.255 1.00 0.00 H new ATOM 0 HG2 GLU A 69 20.318 -4.115 0.044 1.00 0.00 H new ATOM 0 HG3 GLU A 69 19.453 -4.363 -1.460 1.00 0.00 H new ATOM 993 N SER A 70 17.301 -4.431 -2.657 1.00 0.00 N ATOM 994 CA SER A 70 17.313 -4.529 -4.104 1.00 0.00 C ATOM 995 C SER A 70 17.919 -3.263 -4.711 1.00 0.00 C ATOM 996 O SER A 70 18.387 -2.385 -3.988 1.00 0.00 O ATOM 997 CB SER A 70 15.879 -4.681 -4.592 1.00 0.00 C ATOM 998 OG SER A 70 15.295 -3.425 -4.801 1.00 0.00 O ATOM 0 H SER A 70 17.405 -3.480 -2.302 1.00 0.00 H new ATOM 0 HA SER A 70 17.911 -5.388 -4.407 1.00 0.00 H new ATOM 0 HB2 SER A 70 15.863 -5.254 -5.519 1.00 0.00 H new ATOM 0 HB3 SER A 70 15.297 -5.242 -3.860 1.00 0.00 H new ATOM 0 HG SER A 70 14.328 -3.529 -4.918 1.00 0.00 H new ATOM 1004 N THR A 71 17.883 -3.155 -6.033 1.00 0.00 N ATOM 1005 CA THR A 71 18.247 -1.911 -6.709 1.00 0.00 C ATOM 1006 C THR A 71 17.013 -1.007 -6.844 1.00 0.00 C ATOM 1007 O THR A 71 17.118 0.188 -7.114 1.00 0.00 O ATOM 1008 CB THR A 71 18.852 -2.185 -8.108 1.00 0.00 C ATOM 1009 OG1 THR A 71 19.300 -0.964 -8.714 1.00 0.00 O ATOM 1010 CG2 THR A 71 17.839 -2.857 -9.023 1.00 0.00 C ATOM 0 H THR A 71 17.606 -3.911 -6.660 1.00 0.00 H new ATOM 0 HA THR A 71 19.003 -1.409 -6.105 1.00 0.00 H new ATOM 0 HB THR A 71 19.701 -2.854 -7.971 1.00 0.00 H new ATOM 0 HG1 THR A 71 19.680 -1.157 -9.596 1.00 0.00 H new ATOM 0 HG21 THR A 71 18.292 -3.037 -9.998 1.00 0.00 H new ATOM 0 HG22 THR A 71 17.528 -3.806 -8.587 1.00 0.00 H new ATOM 0 HG23 THR A 71 16.970 -2.210 -9.141 1.00 0.00 H new ATOM 1018 N GLU A 72 15.850 -1.594 -6.606 1.00 0.00 N ATOM 1019 CA GLU A 72 14.569 -0.919 -6.768 1.00 0.00 C ATOM 1020 C GLU A 72 13.820 -0.861 -5.459 1.00 0.00 C ATOM 1021 O GLU A 72 13.353 -1.887 -4.981 1.00 0.00 O ATOM 1022 CB GLU A 72 13.689 -1.703 -7.710 1.00 0.00 C ATOM 1023 CG GLU A 72 14.108 -1.661 -9.150 1.00 0.00 C ATOM 1024 CD GLU A 72 13.986 -0.275 -9.733 1.00 0.00 C ATOM 1025 OE1 GLU A 72 12.850 0.234 -9.807 1.00 0.00 O ATOM 1026 OE2 GLU A 72 15.022 0.314 -10.103 1.00 0.00 O ATOM 0 H GLU A 72 15.767 -2.561 -6.292 1.00 0.00 H new ATOM 0 HA GLU A 72 14.781 0.082 -7.143 1.00 0.00 H new ATOM 0 HB2 GLU A 72 13.668 -2.743 -7.383 1.00 0.00 H new ATOM 0 HB3 GLU A 72 12.670 -1.324 -7.632 1.00 0.00 H new ATOM 0 HG2 GLU A 72 15.140 -2.002 -9.238 1.00 0.00 H new ATOM 0 HG3 GLU A 72 13.494 -2.352 -9.727 1.00 0.00 H new ATOM 1033 N ASN A 73 13.681 0.325 -4.897 1.00 0.00 N ATOM 1034 CA ASN A 73 12.938 0.521 -3.661 1.00 0.00 C ATOM 1035 C ASN A 73 11.588 -0.184 -3.699 1.00 0.00 C ATOM 1036 O ASN A 73 11.104 -0.654 -2.676 1.00 0.00 O ATOM 1037 CB ASN A 73 12.721 2.007 -3.389 1.00 0.00 C ATOM 1038 CG ASN A 73 14.001 2.817 -3.448 1.00 0.00 C ATOM 1039 OD1 ASN A 73 14.940 2.485 -4.171 1.00 0.00 O ATOM 1040 ND2 ASN A 73 14.061 3.884 -2.675 1.00 0.00 N ATOM 0 H ASN A 73 14.079 1.181 -5.283 1.00 0.00 H new ATOM 0 HA ASN A 73 13.535 0.087 -2.859 1.00 0.00 H new ATOM 0 HB2 ASN A 73 12.014 2.404 -4.117 1.00 0.00 H new ATOM 0 HB3 ASN A 73 12.267 2.127 -2.405 1.00 0.00 H new ATOM 0 HD21 ASN A 73 14.903 4.460 -2.665 1.00 0.00 H new ATOM 0 HD22 ASN A 73 13.266 4.133 -2.087 1.00 0.00 H new ATOM 1047 N SER A 74 11.004 -0.294 -4.884 1.00 0.00 N ATOM 1048 CA SER A 74 9.688 -0.887 -5.011 1.00 0.00 C ATOM 1049 C SER A 74 9.761 -2.380 -5.335 1.00 0.00 C ATOM 1050 O SER A 74 8.734 -3.052 -5.419 1.00 0.00 O ATOM 1051 CB SER A 74 8.879 -0.146 -6.084 1.00 0.00 C ATOM 1052 OG SER A 74 7.567 -0.673 -6.212 1.00 0.00 O ATOM 0 H SER A 74 11.419 0.018 -5.762 1.00 0.00 H new ATOM 0 HA SER A 74 9.187 -0.789 -4.048 1.00 0.00 H new ATOM 0 HB2 SER A 74 8.822 0.913 -5.830 1.00 0.00 H new ATOM 0 HB3 SER A 74 9.394 -0.217 -7.042 1.00 0.00 H new ATOM 0 HG SER A 74 7.568 -1.618 -5.954 1.00 0.00 H new ATOM 1058 N LYS A 75 10.968 -2.902 -5.506 1.00 0.00 N ATOM 1059 CA LYS A 75 11.139 -4.314 -5.827 1.00 0.00 C ATOM 1060 C LYS A 75 11.960 -5.011 -4.747 1.00 0.00 C ATOM 1061 O LYS A 75 12.675 -5.973 -5.015 1.00 0.00 O ATOM 1062 CB LYS A 75 11.807 -4.488 -7.195 1.00 0.00 C ATOM 1063 CG LYS A 75 11.134 -3.695 -8.305 1.00 0.00 C ATOM 1064 CD LYS A 75 11.556 -4.168 -9.681 1.00 0.00 C ATOM 1065 CE LYS A 75 10.887 -3.345 -10.771 1.00 0.00 C ATOM 1066 NZ LYS A 75 9.403 -3.446 -10.721 1.00 0.00 N ATOM 0 H LYS A 75 11.838 -2.374 -5.429 1.00 0.00 H new ATOM 0 HA LYS A 75 10.151 -4.773 -5.868 1.00 0.00 H new ATOM 0 HB2 LYS A 75 12.851 -4.182 -7.122 1.00 0.00 H new ATOM 0 HB3 LYS A 75 11.803 -5.545 -7.461 1.00 0.00 H new ATOM 0 HG2 LYS A 75 10.052 -3.783 -8.208 1.00 0.00 H new ATOM 0 HG3 LYS A 75 11.379 -2.639 -8.195 1.00 0.00 H new ATOM 0 HD2 LYS A 75 12.639 -4.094 -9.778 1.00 0.00 H new ATOM 0 HD3 LYS A 75 11.296 -5.219 -9.803 1.00 0.00 H new ATOM 0 HE2 LYS A 75 11.182 -2.301 -10.668 1.00 0.00 H new ATOM 0 HE3 LYS A 75 11.240 -3.681 -11.746 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 8.999 -3.059 -11.598 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 9.126 -4.444 -10.623 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 9.046 -2.906 -9.907 1.00 0.00 H new ATOM 1080 N LYS A 76 11.876 -4.494 -3.530 1.00 0.00 N ATOM 1081 CA LYS A 76 12.518 -5.123 -2.381 1.00 0.00 C ATOM 1082 C LYS A 76 11.492 -5.876 -1.572 1.00 0.00 C ATOM 1083 O LYS A 76 11.601 -7.080 -1.368 1.00 0.00 O ATOM 1084 CB LYS A 76 13.167 -4.083 -1.478 1.00 0.00 C ATOM 1085 CG LYS A 76 14.312 -3.354 -2.098 1.00 0.00 C ATOM 1086 CD LYS A 76 13.988 -1.928 -2.139 1.00 0.00 C ATOM 1087 CE LYS A 76 15.214 -1.061 -2.032 1.00 0.00 C ATOM 1088 NZ LYS A 76 16.027 -1.020 -3.275 1.00 0.00 N ATOM 0 H LYS A 76 11.368 -3.637 -3.310 1.00 0.00 H new ATOM 0 HA LYS A 76 13.284 -5.801 -2.758 1.00 0.00 H new ATOM 0 HB2 LYS A 76 12.411 -3.358 -1.178 1.00 0.00 H new ATOM 0 HB3 LYS A 76 13.515 -4.575 -0.570 1.00 0.00 H new ATOM 0 HG2 LYS A 76 15.222 -3.519 -1.522 1.00 0.00 H new ATOM 0 HG3 LYS A 76 14.499 -3.729 -3.104 1.00 0.00 H new ATOM 0 HD2 LYS A 76 13.466 -1.703 -3.069 1.00 0.00 H new ATOM 0 HD3 LYS A 76 13.304 -1.689 -1.324 1.00 0.00 H new ATOM 0 HE2 LYS A 76 14.909 -0.047 -1.774 1.00 0.00 H new ATOM 0 HE3 LYS A 76 15.835 -1.425 -1.214 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 17.033 -1.128 -3.035 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 15.736 -1.794 -3.906 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 15.881 -0.109 -3.755 1.00 0.00 H new ATOM 1102 N ILE A 77 10.492 -5.145 -1.109 1.00 0.00 N ATOM 1103 CA ILE A 77 9.454 -5.721 -0.291 1.00 0.00 C ATOM 1104 C ILE A 77 8.453 -6.444 -1.163 1.00 0.00 C ATOM 1105 O ILE A 77 8.055 -5.954 -2.221 1.00 0.00 O ATOM 1106 CB ILE A 77 8.725 -4.655 0.543 1.00 0.00 C ATOM 1107 CG1 ILE A 77 9.729 -3.782 1.286 1.00 0.00 C ATOM 1108 CG2 ILE A 77 7.776 -5.297 1.534 1.00 0.00 C ATOM 1109 CD1 ILE A 77 10.597 -4.560 2.246 1.00 0.00 C ATOM 0 H ILE A 77 10.383 -4.147 -1.290 1.00 0.00 H new ATOM 0 HA ILE A 77 9.929 -6.422 0.395 1.00 0.00 H new ATOM 0 HB ILE A 77 8.147 -4.034 -0.141 1.00 0.00 H new ATOM 0 HG12 ILE A 77 10.365 -3.274 0.561 1.00 0.00 H new ATOM 0 HG13 ILE A 77 9.192 -3.009 1.836 1.00 0.00 H new ATOM 0 HG21 ILE A 77 7.273 -4.521 2.111 1.00 0.00 H new ATOM 0 HG22 ILE A 77 7.034 -5.888 0.997 1.00 0.00 H new ATOM 0 HG23 ILE A 77 8.337 -5.944 2.208 1.00 0.00 H new ATOM 0 HD11 ILE A 77 11.290 -3.881 2.743 1.00 0.00 H new ATOM 0 HD12 ILE A 77 9.969 -5.047 2.992 1.00 0.00 H new ATOM 0 HD13 ILE A 77 11.160 -5.315 1.697 1.00 0.00 H new ATOM 1121 N ILE A 78 8.064 -7.611 -0.720 1.00 0.00 N ATOM 1122 CA ILE A 78 7.100 -8.411 -1.448 1.00 0.00 C ATOM 1123 C ILE A 78 5.760 -8.367 -0.743 1.00 0.00 C ATOM 1124 O ILE A 78 5.667 -8.669 0.439 1.00 0.00 O ATOM 1125 CB ILE A 78 7.543 -9.885 -1.617 1.00 0.00 C ATOM 1126 CG1 ILE A 78 8.752 -9.989 -2.547 1.00 0.00 C ATOM 1127 CG2 ILE A 78 6.402 -10.736 -2.154 1.00 0.00 C ATOM 1128 CD1 ILE A 78 10.070 -9.694 -1.871 1.00 0.00 C ATOM 0 H ILE A 78 8.399 -8.035 0.145 1.00 0.00 H new ATOM 0 HA ILE A 78 7.022 -7.980 -2.446 1.00 0.00 H new ATOM 0 HB ILE A 78 7.826 -10.260 -0.633 1.00 0.00 H new ATOM 0 HG12 ILE A 78 8.788 -10.993 -2.969 1.00 0.00 H new ATOM 0 HG13 ILE A 78 8.619 -9.298 -3.379 1.00 0.00 H new ATOM 0 HG21 ILE A 78 6.738 -11.767 -2.264 1.00 0.00 H new ATOM 0 HG22 ILE A 78 5.563 -10.700 -1.459 1.00 0.00 H new ATOM 0 HG23 ILE A 78 6.087 -10.352 -3.124 1.00 0.00 H new ATOM 0 HD11 ILE A 78 10.879 -9.788 -2.595 1.00 0.00 H new ATOM 0 HD12 ILE A 78 10.056 -8.679 -1.473 1.00 0.00 H new ATOM 0 HD13 ILE A 78 10.228 -10.401 -1.057 1.00 0.00 H new ATOM 1140 N CYS A 79 4.743 -7.957 -1.461 1.00 0.00 N ATOM 1141 CA CYS A 79 3.395 -7.942 -0.932 1.00 0.00 C ATOM 1142 C CYS A 79 2.592 -9.083 -1.532 1.00 0.00 C ATOM 1143 O CYS A 79 2.716 -9.379 -2.719 1.00 0.00 O ATOM 1144 CB CYS A 79 2.728 -6.619 -1.260 1.00 0.00 C ATOM 1145 SG CYS A 79 2.994 -6.114 -2.969 1.00 0.00 S ATOM 0 H CYS A 79 4.822 -7.626 -2.422 1.00 0.00 H new ATOM 0 HA CYS A 79 3.436 -8.064 0.150 1.00 0.00 H new ATOM 0 HB2 CYS A 79 1.657 -6.699 -1.071 1.00 0.00 H new ATOM 0 HB3 CYS A 79 3.112 -5.847 -0.593 1.00 0.00 H new ATOM 0 HG CYS A 79 2.152 -6.735 -3.741 1.00 0.00 H new ATOM 1151 N THR A 80 1.788 -9.738 -0.721 1.00 0.00 N ATOM 1152 CA THR A 80 0.972 -10.823 -1.211 1.00 0.00 C ATOM 1153 C THR A 80 -0.456 -10.775 -0.668 1.00 0.00 C ATOM 1154 O THR A 80 -0.702 -11.112 0.490 1.00 0.00 O ATOM 1155 CB THR A 80 1.598 -12.175 -0.856 1.00 0.00 C ATOM 1156 OG1 THR A 80 2.787 -12.389 -1.634 1.00 0.00 O ATOM 1157 CG2 THR A 80 0.594 -13.283 -1.087 1.00 0.00 C ATOM 0 H THR A 80 1.684 -9.538 0.274 1.00 0.00 H new ATOM 0 HA THR A 80 0.925 -10.707 -2.294 1.00 0.00 H new ATOM 0 HB THR A 80 1.877 -12.177 0.198 1.00 0.00 H new ATOM 0 HG1 THR A 80 3.181 -13.255 -1.399 1.00 0.00 H new ATOM 0 HG21 THR A 80 1.045 -14.242 -0.833 1.00 0.00 H new ATOM 0 HG22 THR A 80 -0.282 -13.117 -0.460 1.00 0.00 H new ATOM 0 HG23 THR A 80 0.294 -13.290 -2.135 1.00 0.00 H new ATOM 1165 N CYS A 81 -1.389 -10.357 -1.501 1.00 0.00 N ATOM 1166 CA CYS A 81 -2.791 -10.509 -1.186 1.00 0.00 C ATOM 1167 C CYS A 81 -3.267 -11.832 -1.774 1.00 0.00 C ATOM 1168 O CYS A 81 -3.050 -12.124 -2.952 1.00 0.00 O ATOM 1169 CB CYS A 81 -3.605 -9.337 -1.728 1.00 0.00 C ATOM 1170 SG CYS A 81 -3.017 -7.719 -1.167 1.00 0.00 S ATOM 0 H CYS A 81 -1.200 -9.911 -2.398 1.00 0.00 H new ATOM 0 HA CYS A 81 -2.932 -10.515 -0.105 1.00 0.00 H new ATOM 0 HB2 CYS A 81 -3.582 -9.364 -2.817 1.00 0.00 H new ATOM 0 HB3 CYS A 81 -4.646 -9.459 -1.428 1.00 0.00 H new ATOM 0 HG CYS A 81 -3.538 -7.446 -0.008 1.00 0.00 H new ATOM 1176 N LYS A 82 -3.900 -12.627 -0.940 1.00 0.00 N ATOM 1177 CA LYS A 82 -4.186 -14.017 -1.254 1.00 0.00 C ATOM 1178 C LYS A 82 -5.606 -14.204 -1.788 1.00 0.00 C ATOM 1179 O LYS A 82 -6.305 -13.236 -2.076 1.00 0.00 O ATOM 1180 CB LYS A 82 -3.943 -14.874 -0.015 1.00 0.00 C ATOM 1181 CG LYS A 82 -2.502 -14.803 0.463 1.00 0.00 C ATOM 1182 CD LYS A 82 -2.227 -15.753 1.615 1.00 0.00 C ATOM 1183 CE LYS A 82 -2.976 -15.355 2.875 1.00 0.00 C ATOM 1184 NZ LYS A 82 -2.654 -16.252 4.016 1.00 0.00 N ATOM 0 H LYS A 82 -4.233 -12.331 -0.022 1.00 0.00 H new ATOM 0 HA LYS A 82 -3.514 -14.337 -2.050 1.00 0.00 H new ATOM 0 HB2 LYS A 82 -4.606 -14.546 0.786 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -4.199 -15.910 -0.237 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -1.835 -15.039 -0.366 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -2.275 -13.783 0.774 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -2.515 -16.764 1.327 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -1.157 -15.772 1.821 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -2.724 -14.328 3.138 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -4.049 -15.381 2.684 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -3.185 -15.948 4.857 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -2.918 -17.229 3.775 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -1.634 -16.208 4.215 1.00 0.00 H new ATOM 1198 N GLU A 83 -6.003 -15.451 -1.970 1.00 0.00 N ATOM 1199 CA GLU A 83 -7.317 -15.784 -2.519 1.00 0.00 C ATOM 1200 C GLU A 83 -8.478 -15.128 -1.755 1.00 0.00 C ATOM 1201 O GLU A 83 -9.363 -14.544 -2.385 1.00 0.00 O ATOM 1202 CB GLU A 83 -7.502 -17.301 -2.553 1.00 0.00 C ATOM 1203 CG GLU A 83 -8.611 -17.756 -3.479 1.00 0.00 C ATOM 1204 CD GLU A 83 -8.290 -17.468 -4.927 1.00 0.00 C ATOM 1205 OE1 GLU A 83 -7.566 -18.278 -5.544 1.00 0.00 O ATOM 1206 OE2 GLU A 83 -8.748 -16.434 -5.455 1.00 0.00 O ATOM 0 H GLU A 83 -5.429 -16.264 -1.744 1.00 0.00 H new ATOM 0 HA GLU A 83 -7.343 -15.382 -3.532 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -6.567 -17.766 -2.864 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -7.714 -17.656 -1.544 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -8.776 -18.826 -3.350 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -9.540 -17.255 -3.207 1.00 0.00 H new ATOM 1213 N PRO A 84 -8.514 -15.198 -0.403 1.00 0.00 N ATOM 1214 CA PRO A 84 -9.597 -14.584 0.378 1.00 0.00 C ATOM 1215 C PRO A 84 -9.651 -13.067 0.229 1.00 0.00 C ATOM 1216 O PRO A 84 -10.562 -12.417 0.741 1.00 0.00 O ATOM 1217 CB PRO A 84 -9.268 -14.950 1.827 1.00 0.00 C ATOM 1218 CG PRO A 84 -7.828 -15.311 1.826 1.00 0.00 C ATOM 1219 CD PRO A 84 -7.543 -15.885 0.472 1.00 0.00 C ATOM 0 HA PRO A 84 -10.570 -14.942 0.041 1.00 0.00 H new ATOM 0 HB2 PRO A 84 -9.463 -14.113 2.497 1.00 0.00 H new ATOM 0 HB3 PRO A 84 -9.881 -15.783 2.171 1.00 0.00 H new ATOM 0 HG2 PRO A 84 -7.207 -14.436 2.017 1.00 0.00 H new ATOM 0 HG3 PRO A 84 -7.607 -16.035 2.610 1.00 0.00 H new ATOM 0 HD2 PRO A 84 -6.516 -15.692 0.162 1.00 0.00 H new ATOM 0 HD3 PRO A 84 -7.683 -16.966 0.456 1.00 0.00 H new ATOM 1227 N THR A 85 -8.692 -12.503 -0.487 1.00 0.00 N ATOM 1228 CA THR A 85 -8.608 -11.064 -0.614 1.00 0.00 C ATOM 1229 C THR A 85 -8.763 -10.639 -2.071 1.00 0.00 C ATOM 1230 O THR A 85 -7.886 -10.878 -2.901 1.00 0.00 O ATOM 1231 CB THR A 85 -7.284 -10.512 -0.027 1.00 0.00 C ATOM 1232 OG1 THR A 85 -6.160 -11.194 -0.572 1.00 0.00 O ATOM 1233 CG2 THR A 85 -7.256 -10.642 1.484 1.00 0.00 C ATOM 0 H THR A 85 -7.967 -13.019 -0.985 1.00 0.00 H new ATOM 0 HA THR A 85 -9.429 -10.639 -0.037 1.00 0.00 H new ATOM 0 HB THR A 85 -7.231 -9.457 -0.296 1.00 0.00 H new ATOM 0 HG1 THR A 85 -6.434 -11.687 -1.374 1.00 0.00 H new ATOM 0 HG21 THR A 85 -6.315 -10.246 1.866 1.00 0.00 H new ATOM 0 HG22 THR A 85 -8.086 -10.081 1.913 1.00 0.00 H new ATOM 0 HG23 THR A 85 -7.347 -11.692 1.761 1.00 0.00 H new ATOM 1241 N PRO A 86 -9.926 -10.026 -2.382 1.00 0.00 N ATOM 1242 CA PRO A 86 -10.293 -9.556 -3.728 1.00 0.00 C ATOM 1243 C PRO A 86 -9.155 -8.928 -4.571 1.00 0.00 C ATOM 1244 O PRO A 86 -9.063 -9.205 -5.760 1.00 0.00 O ATOM 1245 CB PRO A 86 -11.392 -8.534 -3.399 1.00 0.00 C ATOM 1246 CG PRO A 86 -12.121 -9.180 -2.279 1.00 0.00 C ATOM 1247 CD PRO A 86 -11.037 -9.770 -1.417 1.00 0.00 C ATOM 0 HA PRO A 86 -10.589 -10.384 -4.372 1.00 0.00 H new ATOM 0 HB2 PRO A 86 -10.974 -7.571 -3.107 1.00 0.00 H new ATOM 0 HB3 PRO A 86 -12.044 -8.352 -4.254 1.00 0.00 H new ATOM 0 HG2 PRO A 86 -12.720 -8.457 -1.725 1.00 0.00 H new ATOM 0 HG3 PRO A 86 -12.804 -9.949 -2.640 1.00 0.00 H new ATOM 0 HD2 PRO A 86 -10.733 -9.083 -0.628 1.00 0.00 H new ATOM 0 HD3 PRO A 86 -11.366 -10.688 -0.931 1.00 0.00 H new ATOM 1255 N ASN A 87 -8.292 -8.099 -3.980 1.00 0.00 N ATOM 1256 CA ASN A 87 -7.319 -7.341 -4.773 1.00 0.00 C ATOM 1257 C ASN A 87 -6.020 -7.037 -4.037 1.00 0.00 C ATOM 1258 O ASN A 87 -5.942 -7.119 -2.815 1.00 0.00 O ATOM 1259 CB ASN A 87 -7.991 -6.052 -5.207 1.00 0.00 C ATOM 1260 CG ASN A 87 -7.056 -4.898 -5.556 1.00 0.00 C ATOM 1261 OD1 ASN A 87 -6.475 -4.262 -4.683 1.00 0.00 O ATOM 1262 ND2 ASN A 87 -6.978 -4.561 -6.815 1.00 0.00 N ATOM 0 H ASN A 87 -8.245 -7.936 -2.974 1.00 0.00 H new ATOM 0 HA ASN A 87 -7.026 -7.955 -5.624 1.00 0.00 H new ATOM 0 HB2 ASN A 87 -8.614 -6.264 -6.076 1.00 0.00 H new ATOM 0 HB3 ASN A 87 -8.657 -5.726 -4.409 1.00 0.00 H new ATOM 0 HD21 ASN A 87 -6.424 -3.751 -7.093 1.00 0.00 H new ATOM 0 HD22 ASN A 87 -7.471 -5.108 -7.521 1.00 0.00 H new ATOM 1269 N ALA A 88 -5.012 -6.701 -4.835 1.00 0.00 N ATOM 1270 CA ALA A 88 -3.769 -6.102 -4.365 1.00 0.00 C ATOM 1271 C ALA A 88 -3.505 -4.827 -5.169 1.00 0.00 C ATOM 1272 O ALA A 88 -3.157 -4.888 -6.352 1.00 0.00 O ATOM 1273 CB ALA A 88 -2.608 -7.071 -4.512 1.00 0.00 C ATOM 0 H ALA A 88 -5.037 -6.840 -5.845 1.00 0.00 H new ATOM 0 HA ALA A 88 -3.863 -5.860 -3.306 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -1.693 -6.599 -4.154 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -2.807 -7.968 -3.926 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -2.490 -7.341 -5.561 1.00 0.00 H new ATOM 1279 N TYR A 89 -3.692 -3.677 -4.534 1.00 0.00 N ATOM 1280 CA TYR A 89 -3.533 -2.394 -5.196 1.00 0.00 C ATOM 1281 C TYR A 89 -2.082 -1.988 -5.169 1.00 0.00 C ATOM 1282 O TYR A 89 -1.420 -2.174 -4.150 1.00 0.00 O ATOM 1283 CB TYR A 89 -4.332 -1.324 -4.476 1.00 0.00 C ATOM 1284 CG TYR A 89 -5.319 -0.602 -5.327 1.00 0.00 C ATOM 1285 CD1 TYR A 89 -4.939 0.465 -6.129 1.00 0.00 C ATOM 1286 CD2 TYR A 89 -6.638 -0.959 -5.291 1.00 0.00 C ATOM 1287 CE1 TYR A 89 -5.869 1.147 -6.885 1.00 0.00 C ATOM 1288 CE2 TYR A 89 -7.569 -0.288 -6.031 1.00 0.00 C ATOM 1289 CZ TYR A 89 -7.188 0.765 -6.831 1.00 0.00 C ATOM 1290 OH TYR A 89 -8.127 1.435 -7.578 1.00 0.00 O ATOM 0 H TYR A 89 -3.957 -3.610 -3.551 1.00 0.00 H new ATOM 0 HA TYR A 89 -3.887 -2.493 -6.222 1.00 0.00 H new ATOM 0 HB2 TYR A 89 -4.861 -1.785 -3.642 1.00 0.00 H new ATOM 0 HB3 TYR A 89 -3.639 -0.597 -4.051 1.00 0.00 H new ATOM 0 HD1 TYR A 89 -3.902 0.765 -6.161 1.00 0.00 H new ATOM 0 HD2 TYR A 89 -6.949 -1.784 -4.668 1.00 0.00 H new ATOM 0 HE1 TYR A 89 -5.564 1.972 -7.512 1.00 0.00 H new ATOM 0 HE2 TYR A 89 -8.607 -0.584 -5.988 1.00 0.00 H new ATOM 0 HH TYR A 89 -8.697 1.968 -6.985 1.00 0.00 H new ATOM 1300 N TYR A 90 -1.597 -1.415 -6.263 1.00 0.00 N ATOM 1301 CA TYR A 90 -0.203 -1.015 -6.343 1.00 0.00 C ATOM 1302 C TYR A 90 0.670 -2.195 -5.973 1.00 0.00 C ATOM 1303 O TYR A 90 1.532 -2.112 -5.102 1.00 0.00 O ATOM 1304 CB TYR A 90 0.051 0.210 -5.445 1.00 0.00 C ATOM 1305 CG TYR A 90 -0.566 1.474 -6.001 1.00 0.00 C ATOM 1306 CD1 TYR A 90 -1.889 1.800 -5.735 1.00 0.00 C ATOM 1307 CD2 TYR A 90 0.169 2.336 -6.806 1.00 0.00 C ATOM 1308 CE1 TYR A 90 -2.463 2.945 -6.254 1.00 0.00 C ATOM 1309 CE2 TYR A 90 -0.396 3.486 -7.324 1.00 0.00 C ATOM 1310 CZ TYR A 90 -1.714 3.784 -7.046 1.00 0.00 C ATOM 1311 OH TYR A 90 -2.283 4.927 -7.564 1.00 0.00 O ATOM 0 H TYR A 90 -2.146 -1.219 -7.100 1.00 0.00 H new ATOM 0 HA TYR A 90 0.048 -0.716 -7.361 1.00 0.00 H new ATOM 0 HB2 TYR A 90 -0.354 0.018 -4.451 1.00 0.00 H new ATOM 0 HB3 TYR A 90 1.125 0.355 -5.329 1.00 0.00 H new ATOM 0 HD1 TYR A 90 -2.481 1.147 -5.111 1.00 0.00 H new ATOM 0 HD2 TYR A 90 1.199 2.103 -7.031 1.00 0.00 H new ATOM 0 HE1 TYR A 90 -3.495 3.180 -6.039 1.00 0.00 H new ATOM 0 HE2 TYR A 90 0.191 4.148 -7.943 1.00 0.00 H new ATOM 0 HH TYR A 90 -1.619 5.409 -8.100 1.00 0.00 H new ATOM 1321 N GLU A 91 0.381 -3.318 -6.641 1.00 0.00 N ATOM 1322 CA GLU A 91 1.126 -4.564 -6.509 1.00 0.00 C ATOM 1323 C GLU A 91 0.812 -5.292 -5.199 1.00 0.00 C ATOM 1324 O GLU A 91 1.034 -6.498 -5.083 1.00 0.00 O ATOM 1325 CB GLU A 91 2.618 -4.283 -6.650 1.00 0.00 C ATOM 1326 CG GLU A 91 2.930 -3.310 -7.778 1.00 0.00 C ATOM 1327 CD GLU A 91 2.935 -3.959 -9.145 1.00 0.00 C ATOM 1328 OE1 GLU A 91 3.992 -4.479 -9.558 1.00 0.00 O ATOM 1329 OE2 GLU A 91 1.883 -3.947 -9.822 1.00 0.00 O ATOM 0 H GLU A 91 -0.394 -3.381 -7.301 1.00 0.00 H new ATOM 0 HA GLU A 91 0.814 -5.235 -7.309 1.00 0.00 H new ATOM 0 HB2 GLU A 91 2.997 -3.878 -5.712 1.00 0.00 H new ATOM 0 HB3 GLU A 91 3.145 -5.221 -6.829 1.00 0.00 H new ATOM 0 HG2 GLU A 91 2.195 -2.506 -7.768 1.00 0.00 H new ATOM 0 HG3 GLU A 91 3.903 -2.854 -7.596 1.00 0.00 H new ATOM 1336 N GLY A 92 0.261 -4.569 -4.239 1.00 0.00 N ATOM 1337 CA GLY A 92 -0.049 -5.147 -2.942 1.00 0.00 C ATOM 1338 C GLY A 92 0.111 -4.155 -1.808 1.00 0.00 C ATOM 1339 O GLY A 92 0.156 -4.541 -0.640 1.00 0.00 O ATOM 0 H GLY A 92 0.019 -3.582 -4.333 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -1.073 -5.521 -2.951 1.00 0.00 H new ATOM 0 HA3 GLY A 92 0.602 -6.003 -2.765 1.00 0.00 H new ATOM 1343 N VAL A 93 0.225 -2.880 -2.151 1.00 0.00 N ATOM 1344 CA VAL A 93 0.248 -1.821 -1.154 1.00 0.00 C ATOM 1345 C VAL A 93 -1.103 -1.745 -0.457 1.00 0.00 C ATOM 1346 O VAL A 93 -1.202 -1.305 0.679 1.00 0.00 O ATOM 1347 CB VAL A 93 0.594 -0.450 -1.781 1.00 0.00 C ATOM 1348 CG1 VAL A 93 0.738 0.632 -0.719 1.00 0.00 C ATOM 1349 CG2 VAL A 93 1.864 -0.551 -2.603 1.00 0.00 C ATOM 0 H VAL A 93 0.303 -2.554 -3.114 1.00 0.00 H new ATOM 0 HA VAL A 93 1.026 -2.060 -0.429 1.00 0.00 H new ATOM 0 HB VAL A 93 -0.232 -0.167 -2.434 1.00 0.00 H new ATOM 0 HG11 VAL A 93 0.981 1.581 -1.197 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -0.199 0.731 -0.171 1.00 0.00 H new ATOM 0 HG13 VAL A 93 1.535 0.359 -0.028 1.00 0.00 H new ATOM 0 HG21 VAL A 93 2.094 0.422 -3.038 1.00 0.00 H new ATOM 0 HG22 VAL A 93 2.688 -0.867 -1.963 1.00 0.00 H new ATOM 0 HG23 VAL A 93 1.724 -1.281 -3.400 1.00 0.00 H new ATOM 1359 N PHE A 94 -2.144 -2.175 -1.163 1.00 0.00 N ATOM 1360 CA PHE A 94 -3.490 -2.274 -0.589 1.00 0.00 C ATOM 1361 C PHE A 94 -4.222 -3.414 -1.224 1.00 0.00 C ATOM 1362 O PHE A 94 -3.647 -4.267 -1.898 1.00 0.00 O ATOM 1363 CB PHE A 94 -4.361 -1.025 -0.794 1.00 0.00 C ATOM 1364 CG PHE A 94 -3.601 0.240 -0.817 1.00 0.00 C ATOM 1365 CD1 PHE A 94 -2.849 0.556 -1.917 1.00 0.00 C ATOM 1366 CD2 PHE A 94 -3.619 1.100 0.258 1.00 0.00 C ATOM 1367 CE1 PHE A 94 -2.121 1.698 -1.960 1.00 0.00 C ATOM 1368 CE2 PHE A 94 -2.895 2.258 0.223 1.00 0.00 C ATOM 1369 CZ PHE A 94 -2.141 2.559 -0.884 1.00 0.00 C ATOM 0 H PHE A 94 -2.085 -2.463 -2.140 1.00 0.00 H new ATOM 0 HA PHE A 94 -3.334 -2.408 0.481 1.00 0.00 H new ATOM 0 HB2 PHE A 94 -4.907 -1.126 -1.732 1.00 0.00 H new ATOM 0 HB3 PHE A 94 -5.103 -0.977 0.003 1.00 0.00 H new ATOM 0 HD1 PHE A 94 -2.836 -0.115 -2.763 1.00 0.00 H new ATOM 0 HD2 PHE A 94 -4.207 0.859 1.131 1.00 0.00 H new ATOM 0 HE1 PHE A 94 -1.529 1.932 -2.832 1.00 0.00 H new ATOM 0 HE2 PHE A 94 -2.916 2.935 1.064 1.00 0.00 H new ATOM 0 HZ PHE A 94 -1.563 3.471 -0.912 1.00 0.00 H new ATOM 1379 N CYS A 95 -5.500 -3.398 -0.989 1.00 0.00 N ATOM 1380 CA CYS A 95 -6.412 -4.353 -1.519 1.00 0.00 C ATOM 1381 C CYS A 95 -7.622 -3.587 -2.093 1.00 0.00 C ATOM 1382 O CYS A 95 -7.657 -2.374 -1.995 1.00 0.00 O ATOM 1383 CB CYS A 95 -6.756 -5.331 -0.401 1.00 0.00 C ATOM 1384 SG CYS A 95 -7.276 -4.552 1.146 1.00 0.00 S ATOM 0 H CYS A 95 -5.946 -2.693 -0.402 1.00 0.00 H new ATOM 0 HA CYS A 95 -6.000 -4.941 -2.339 1.00 0.00 H new ATOM 0 HB2 CYS A 95 -7.552 -5.991 -0.746 1.00 0.00 H new ATOM 0 HB3 CYS A 95 -5.886 -5.957 -0.203 1.00 0.00 H new ATOM 0 HG CYS A 95 -7.926 -3.457 0.883 1.00 0.00 H new ATOM 1390 N SER A 96 -8.531 -4.257 -2.792 1.00 0.00 N ATOM 1391 CA SER A 96 -9.700 -3.600 -3.399 1.00 0.00 C ATOM 1392 C SER A 96 -10.679 -4.621 -3.984 1.00 0.00 C ATOM 1393 O SER A 96 -10.449 -5.820 -3.911 1.00 0.00 O ATOM 1394 CB SER A 96 -9.294 -2.598 -4.468 1.00 0.00 C ATOM 1395 OG SER A 96 -9.444 -1.273 -3.982 1.00 0.00 O ATOM 0 H SER A 96 -8.487 -5.263 -2.957 1.00 0.00 H new ATOM 0 HA SER A 96 -10.202 -3.059 -2.597 1.00 0.00 H new ATOM 0 HB2 SER A 96 -8.259 -2.770 -4.763 1.00 0.00 H new ATOM 0 HB3 SER A 96 -9.907 -2.738 -5.359 1.00 0.00 H new ATOM 0 HG SER A 96 -8.672 -0.735 -4.256 1.00 0.00 H new ATOM 1401 N SER A 97 -11.802 -4.143 -4.501 1.00 0.00 N ATOM 1402 CA SER A 97 -12.851 -5.017 -5.016 1.00 0.00 C ATOM 1403 C SER A 97 -12.507 -5.588 -6.386 1.00 0.00 C ATOM 1404 O SER A 97 -13.174 -5.297 -7.380 1.00 0.00 O ATOM 1405 CB SER A 97 -14.147 -4.234 -5.107 1.00 0.00 C ATOM 1406 OG SER A 97 -13.910 -2.969 -5.700 1.00 0.00 O ATOM 0 H SER A 97 -12.012 -3.148 -4.576 1.00 0.00 H new ATOM 0 HA SER A 97 -12.953 -5.857 -4.328 1.00 0.00 H new ATOM 0 HB2 SER A 97 -14.876 -4.790 -5.696 1.00 0.00 H new ATOM 0 HB3 SER A 97 -14.573 -4.104 -4.112 1.00 0.00 H new ATOM 0 HG SER A 97 -13.529 -3.093 -6.594 1.00 0.00 H new ATOM 1412 N SER A 98 -11.474 -6.398 -6.442 1.00 0.00 N ATOM 1413 CA SER A 98 -11.063 -6.986 -7.710 1.00 0.00 C ATOM 1414 C SER A 98 -11.188 -8.508 -7.699 1.00 0.00 C ATOM 1415 O SER A 98 -11.811 -9.094 -6.807 1.00 0.00 O ATOM 1416 CB SER A 98 -9.625 -6.587 -8.027 1.00 0.00 C ATOM 1417 OG SER A 98 -9.454 -5.185 -7.919 1.00 0.00 O ATOM 0 H SER A 98 -10.905 -6.666 -5.639 1.00 0.00 H new ATOM 0 HA SER A 98 -11.730 -6.604 -8.482 1.00 0.00 H new ATOM 0 HB2 SER A 98 -8.944 -7.094 -7.344 1.00 0.00 H new ATOM 0 HB3 SER A 98 -9.367 -6.912 -9.035 1.00 0.00 H new ATOM 0 HG SER A 98 -9.012 -4.846 -8.725 1.00 0.00 H new ATOM 1423 N SER A 99 -10.616 -9.126 -8.720 1.00 0.00 N ATOM 1424 CA SER A 99 -10.544 -10.569 -8.828 1.00 0.00 C ATOM 1425 C SER A 99 -9.340 -10.942 -9.692 1.00 0.00 C ATOM 1426 O SER A 99 -8.283 -11.304 -9.133 1.00 0.00 O ATOM 1427 CB SER A 99 -11.839 -11.118 -9.435 1.00 0.00 C ATOM 1428 OG SER A 99 -12.123 -10.493 -10.678 1.00 0.00 O ATOM 1429 OXT SER A 99 -9.442 -10.817 -10.932 1.00 0.00 O ATOM 0 H SER A 99 -10.186 -8.633 -9.502 1.00 0.00 H new ATOM 0 HA SER A 99 -10.424 -11.008 -7.838 1.00 0.00 H new ATOM 0 HB2 SER A 99 -11.750 -12.195 -9.577 1.00 0.00 H new ATOM 0 HB3 SER A 99 -12.666 -10.955 -8.744 1.00 0.00 H new ATOM 0 HG SER A 99 -11.293 -10.390 -11.189 1.00 0.00 H new TER 1435 SER A 99