USER MOD reduce.3.24.130724 H: found=0, std=0, add=714, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 712 hydrogens (62 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 62 ASN : amide:sc= -3.17 K(o=-5.9,f=-0.92) USER MOD Set 1.2: A 64 ASN : amide:sc= -2.78! K(o=-5.9!,f=-0.92) USER MOD Set 2.1: A 8 SER OG : rot 130:sc= 0.156 USER MOD Set 2.2: A 9 LYS NZ :NH3+ -101:sc= 1.25 (180deg=0) USER MOD Single : A 1 LEU N :NH3+ -126:sc= -2.3! (180deg=-5.43!) USER MOD Single : A 2 ASN : amide:sc= -0.381 K(o=-0.38,f=-2.2!) USER MOD Single : A 5 GLN : amide:sc= 0.666 K(o=0.67,f=-8.6!) USER MOD Single : A 10 MET CE :methyl -177:sc= -6.96! (180deg=-7.01!) USER MOD Single : A 11 LYS NZ :NH3+ -130:sc= -0.461 (180deg=-2.09) USER MOD Single : A 15 THR OG1 : rot 137:sc= -0.685 USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 GLN : amide:sc= -1.11 K(o=-1.1,f=-2!) USER MOD Single : A 24 SER OG : rot 120:sc= 0.719 USER MOD Single : A 29 ASN : amide:sc= -4.84 K(o=-4.8,f=-10!) USER MOD Single : A 35 HIS : no HE2:sc= -1.85! C(o=-1.8!,f=-5.4!) USER MOD Single : A 36 ASN : amide:sc= -0.537 K(o=-0.54,f=-13!) USER MOD Single : A 37 GLN : amide:sc= -0.0134 X(o=-0.013,f=0) USER MOD Single : A 39 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 40 SER OG : rot -118:sc= 0.921! USER MOD Single : A 41 SER OG : rot -65:sc= 0.639 USER MOD Single : A 45 GLN : amide:sc= 0.786 K(o=0.79,f=0) USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 ASN : amide:sc= -3.2! K(o=-3.2!,f=-0.95) USER MOD Single : A 52 LYS NZ :NH3+ 134:sc= -1.09! (180deg=-4.19!) USER MOD Single : A 59 HIS : no HE2:sc= -0.842! C(o=-0.84!,f=-4.7!) USER MOD Single : A 60 ASN : amide:sc= 0 K(o=0,f=-1.6) USER MOD Single : A 65 ASN : amide:sc= -9.75! C(o=-9.7!,f=-18!) USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 72 LYS NZ :NH3+ 159:sc= -0.51! (180deg=-1.82!) USER MOD Single : A 74 ASN : amide:sc= 0 X(o=0,f=-0.021) USER MOD Single : A 76 ASN : amide:sc= -3.31! K(o=-3.3!,f=-0.58) USER MOD Single : A 79 TYR OH : rot -36:sc= -2.8! USER MOD Single : A 80 THR OG1 : rot -12:sc= -0.823 USER MOD Single : A 82 SER OG : rot 180:sc= -0.404 USER MOD Single : A 88 SER OG : rot -15:sc= 1.02 USER MOD Single : A 91 TYR OH : rot 180:sc= 0 USER MOD Single : A 92 COA O2B : rot -148:sc= 1.18 USER MOD Single : A 92 COA OAP : rot 0:sc= 0.815 USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 1 -6.275 10.437 9.141 1.00 0.00 N ATOM 2 CA LEU A 1 -7.285 9.635 9.902 1.00 0.00 C ATOM 3 C LEU A 1 -7.591 8.264 9.249 1.00 0.00 C ATOM 4 O LEU A 1 -7.852 7.303 9.949 1.00 0.00 O ATOM 5 CB LEU A 1 -8.635 10.424 10.026 1.00 0.00 C ATOM 6 CG LEU A 1 -8.644 11.469 11.178 1.00 0.00 C ATOM 7 CD1 LEU A 1 -7.627 12.587 10.929 1.00 0.00 C ATOM 8 CD2 LEU A 1 -10.049 12.105 11.256 1.00 0.00 C ATOM 0 H1 LEU A 1 -5.500 10.714 9.777 1.00 0.00 H new ATOM 0 H2 LEU A 1 -5.894 9.865 8.361 1.00 0.00 H new ATOM 0 H3 LEU A 1 -6.728 11.290 8.756 1.00 0.00 H new ATOM 0 HA LEU A 1 -6.843 9.458 10.882 1.00 0.00 H new ATOM 0 HB2 LEU A 1 -8.836 10.933 9.084 1.00 0.00 H new ATOM 0 HB3 LEU A 1 -9.447 9.715 10.184 1.00 0.00 H new ATOM 0 HG LEU A 1 -8.383 10.958 12.105 1.00 0.00 H new ATOM 0 HD11 LEU A 1 -7.660 13.299 11.753 1.00 0.00 H new ATOM 0 HD12 LEU A 1 -6.627 12.160 10.859 1.00 0.00 H new ATOM 0 HD13 LEU A 1 -7.869 13.099 9.998 1.00 0.00 H new ATOM 0 HD21 LEU A 1 -10.071 12.841 12.060 1.00 0.00 H new ATOM 0 HD22 LEU A 1 -10.280 12.594 10.310 1.00 0.00 H new ATOM 0 HD23 LEU A 1 -10.789 11.329 11.453 1.00 0.00 H new ATOM 22 N ASN A 2 -7.544 8.185 7.945 1.00 0.00 N ATOM 23 CA ASN A 2 -7.840 6.902 7.246 1.00 0.00 C ATOM 24 C ASN A 2 -6.651 6.026 6.805 1.00 0.00 C ATOM 25 O ASN A 2 -6.901 4.893 6.459 1.00 0.00 O ATOM 26 CB ASN A 2 -8.737 7.302 6.054 1.00 0.00 C ATOM 27 CG ASN A 2 -10.061 7.856 6.596 1.00 0.00 C ATOM 28 OD1 ASN A 2 -10.102 8.825 7.323 1.00 0.00 O ATOM 29 ND2 ASN A 2 -11.178 7.284 6.277 1.00 0.00 N ATOM 0 H ASN A 2 -7.311 8.964 7.329 1.00 0.00 H new ATOM 0 HA ASN A 2 -8.314 6.231 7.963 1.00 0.00 H new ATOM 0 HB2 ASN A 2 -8.237 8.052 5.440 1.00 0.00 H new ATOM 0 HB3 ASN A 2 -8.922 6.439 5.415 1.00 0.00 H new ATOM 0 HD21 ASN A 2 -12.060 7.651 6.636 1.00 0.00 H new ATOM 0 HD22 ASN A 2 -11.176 6.467 5.667 1.00 0.00 H new ATOM 36 N CYS A 3 -5.426 6.478 6.798 1.00 0.00 N ATOM 37 CA CYS A 3 -4.323 5.554 6.360 1.00 0.00 C ATOM 38 C CYS A 3 -3.450 5.133 7.566 1.00 0.00 C ATOM 39 O CYS A 3 -2.481 5.786 7.917 1.00 0.00 O ATOM 40 CB CYS A 3 -3.488 6.272 5.306 1.00 0.00 C ATOM 41 SG CYS A 3 -2.551 5.180 4.216 1.00 0.00 S ATOM 0 H CYS A 3 -5.139 7.419 7.067 1.00 0.00 H new ATOM 0 HA CYS A 3 -4.747 4.644 5.936 1.00 0.00 H new ATOM 0 HB2 CYS A 3 -4.148 6.891 4.698 1.00 0.00 H new ATOM 0 HB3 CYS A 3 -2.793 6.945 5.809 1.00 0.00 H new ATOM 46 N GLY A 4 -3.896 4.043 8.155 1.00 0.00 N ATOM 47 CA GLY A 4 -3.207 3.442 9.347 1.00 0.00 C ATOM 48 C GLY A 4 -2.830 2.020 8.962 1.00 0.00 C ATOM 49 O GLY A 4 -1.664 1.708 8.847 1.00 0.00 O ATOM 0 H GLY A 4 -4.727 3.535 7.852 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -2.321 4.019 9.614 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -3.864 3.446 10.217 1.00 0.00 H new ATOM 53 N GLN A 5 -3.833 1.190 8.765 1.00 0.00 N ATOM 54 CA GLN A 5 -3.642 -0.258 8.370 1.00 0.00 C ATOM 55 C GLN A 5 -2.530 -0.333 7.300 1.00 0.00 C ATOM 56 O GLN A 5 -1.628 -1.160 7.284 1.00 0.00 O ATOM 57 CB GLN A 5 -4.971 -0.859 7.758 1.00 0.00 C ATOM 58 CG GLN A 5 -6.302 -0.088 8.106 1.00 0.00 C ATOM 59 CD GLN A 5 -6.511 1.149 7.208 1.00 0.00 C ATOM 60 OE1 GLN A 5 -5.943 2.198 7.418 1.00 0.00 O ATOM 61 NE2 GLN A 5 -7.305 1.105 6.187 1.00 0.00 N ATOM 0 H GLN A 5 -4.811 1.462 8.864 1.00 0.00 H new ATOM 0 HA GLN A 5 -3.374 -0.831 9.258 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -4.866 -0.891 6.674 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -5.071 -1.889 8.099 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -7.151 -0.763 7.995 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -6.277 0.223 9.150 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -7.807 0.244 5.968 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -7.429 1.931 5.601 1.00 0.00 H new ATOM 70 N VAL A 6 -2.708 0.617 6.431 1.00 0.00 N ATOM 71 CA VAL A 6 -1.807 0.815 5.277 1.00 0.00 C ATOM 72 C VAL A 6 -0.366 0.842 5.765 1.00 0.00 C ATOM 73 O VAL A 6 0.387 -0.085 5.569 1.00 0.00 O ATOM 74 CB VAL A 6 -2.188 2.147 4.587 1.00 0.00 C ATOM 75 CG1 VAL A 6 -1.185 2.360 3.470 1.00 0.00 C ATOM 76 CG2 VAL A 6 -3.611 2.076 4.004 1.00 0.00 C ATOM 0 H VAL A 6 -3.474 1.289 6.480 1.00 0.00 H new ATOM 0 HA VAL A 6 -1.907 0.001 4.559 1.00 0.00 H new ATOM 0 HB VAL A 6 -2.170 2.968 5.304 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -1.412 3.291 2.950 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -0.180 2.413 3.889 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -1.241 1.529 2.767 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -3.855 3.024 3.524 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -3.663 1.273 3.269 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -4.323 1.881 4.806 1.00 0.00 H new ATOM 86 N ASP A 7 -0.012 1.915 6.400 1.00 0.00 N ATOM 87 CA ASP A 7 1.353 2.104 6.943 1.00 0.00 C ATOM 88 C ASP A 7 1.817 0.863 7.733 1.00 0.00 C ATOM 89 O ASP A 7 2.918 0.387 7.540 1.00 0.00 O ATOM 90 CB ASP A 7 1.251 3.362 7.789 1.00 0.00 C ATOM 91 CG ASP A 7 2.644 3.857 8.189 1.00 0.00 C ATOM 92 OD1 ASP A 7 3.384 4.071 7.250 1.00 0.00 O ATOM 93 OD2 ASP A 7 2.931 4.006 9.364 1.00 0.00 O ATOM 0 H ASP A 7 -0.639 2.701 6.572 1.00 0.00 H new ATOM 0 HA ASP A 7 2.111 2.219 6.169 1.00 0.00 H new ATOM 0 HB2 ASP A 7 0.729 4.140 7.232 1.00 0.00 H new ATOM 0 HB3 ASP A 7 0.661 3.159 8.683 1.00 0.00 H new ATOM 98 N SER A 8 0.937 0.403 8.580 1.00 0.00 N ATOM 99 CA SER A 8 1.224 -0.794 9.429 1.00 0.00 C ATOM 100 C SER A 8 1.884 -1.912 8.623 1.00 0.00 C ATOM 101 O SER A 8 2.880 -2.451 9.064 1.00 0.00 O ATOM 102 CB SER A 8 -0.078 -1.319 10.042 1.00 0.00 C ATOM 103 OG SER A 8 0.354 -2.450 10.801 1.00 0.00 O ATOM 0 H SER A 8 0.014 0.812 8.724 1.00 0.00 H new ATOM 0 HA SER A 8 1.913 -0.485 10.215 1.00 0.00 H new ATOM 0 HB2 SER A 8 -0.558 -0.570 10.672 1.00 0.00 H new ATOM 0 HB3 SER A 8 -0.800 -1.600 9.275 1.00 0.00 H new ATOM 0 HG SER A 8 -0.008 -2.392 11.710 1.00 0.00 H new ATOM 109 N LYS A 9 1.301 -2.236 7.492 1.00 0.00 N ATOM 110 CA LYS A 9 1.878 -3.324 6.616 1.00 0.00 C ATOM 111 C LYS A 9 2.679 -2.840 5.383 1.00 0.00 C ATOM 112 O LYS A 9 3.421 -3.591 4.786 1.00 0.00 O ATOM 113 CB LYS A 9 0.729 -4.196 6.108 1.00 0.00 C ATOM 114 CG LYS A 9 -0.143 -4.891 7.179 1.00 0.00 C ATOM 115 CD LYS A 9 0.416 -4.775 8.612 1.00 0.00 C ATOM 116 CE LYS A 9 -0.362 -5.690 9.526 1.00 0.00 C ATOM 117 NZ LYS A 9 -0.314 -5.096 10.901 1.00 0.00 N ATOM 0 H LYS A 9 0.452 -1.799 7.133 1.00 0.00 H new ATOM 0 HA LYS A 9 2.588 -3.857 7.249 1.00 0.00 H new ATOM 0 HB2 LYS A 9 0.079 -3.576 5.490 1.00 0.00 H new ATOM 0 HB3 LYS A 9 1.147 -4.965 5.459 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -1.144 -4.460 7.154 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -0.244 -5.946 6.923 1.00 0.00 H new ATOM 0 HD2 LYS A 9 1.473 -5.042 8.625 1.00 0.00 H new ATOM 0 HD3 LYS A 9 0.343 -3.745 8.961 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -1.393 -5.787 9.185 1.00 0.00 H new ATOM 0 HE3 LYS A 9 0.069 -6.691 9.525 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 0.397 -5.597 11.471 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -0.059 -4.090 10.836 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -1.247 -5.189 11.352 1.00 0.00 H new ATOM 131 N MET A 10 2.508 -1.605 5.044 1.00 0.00 N ATOM 132 CA MET A 10 3.159 -0.949 3.887 1.00 0.00 C ATOM 133 C MET A 10 4.246 0.067 4.177 1.00 0.00 C ATOM 134 O MET A 10 4.856 0.511 3.229 1.00 0.00 O ATOM 135 CB MET A 10 2.043 -0.289 3.069 1.00 0.00 C ATOM 136 CG MET A 10 0.960 -1.353 2.778 1.00 0.00 C ATOM 137 SD MET A 10 1.550 -2.932 2.120 1.00 0.00 S ATOM 138 CE MET A 10 2.323 -2.337 0.599 1.00 0.00 C ATOM 0 H MET A 10 1.895 -0.977 5.564 1.00 0.00 H new ATOM 0 HA MET A 10 3.699 -1.737 3.361 1.00 0.00 H new ATOM 0 HB2 MET A 10 1.614 0.549 3.619 1.00 0.00 H new ATOM 0 HB3 MET A 10 2.442 0.112 2.137 1.00 0.00 H new ATOM 0 HG2 MET A 10 0.415 -1.549 3.701 1.00 0.00 H new ATOM 0 HG3 MET A 10 0.247 -0.931 2.070 1.00 0.00 H new ATOM 0 HE1 MET A 10 2.701 -3.185 0.027 1.00 0.00 H new ATOM 0 HE2 MET A 10 1.587 -1.797 0.004 1.00 0.00 H new ATOM 0 HE3 MET A 10 3.149 -1.670 0.847 1.00 0.00 H new ATOM 148 N LYS A 11 4.506 0.453 5.398 1.00 0.00 N ATOM 149 CA LYS A 11 5.588 1.449 5.619 1.00 0.00 C ATOM 150 C LYS A 11 6.874 0.991 4.909 1.00 0.00 C ATOM 151 O LYS A 11 7.332 1.721 4.057 1.00 0.00 O ATOM 152 CB LYS A 11 5.827 1.621 7.146 1.00 0.00 C ATOM 153 CG LYS A 11 7.198 2.352 7.337 1.00 0.00 C ATOM 154 CD LYS A 11 7.113 3.805 6.787 1.00 0.00 C ATOM 155 CE LYS A 11 6.227 4.618 7.729 1.00 0.00 C ATOM 156 NZ LYS A 11 5.562 5.693 6.936 1.00 0.00 N ATOM 0 H LYS A 11 4.025 0.128 6.236 1.00 0.00 H new ATOM 0 HA LYS A 11 5.294 2.412 5.201 1.00 0.00 H new ATOM 0 HB2 LYS A 11 5.020 2.199 7.596 1.00 0.00 H new ATOM 0 HB3 LYS A 11 5.839 0.651 7.642 1.00 0.00 H new ATOM 0 HG2 LYS A 11 7.465 2.370 8.394 1.00 0.00 H new ATOM 0 HG3 LYS A 11 7.986 1.805 6.819 1.00 0.00 H new ATOM 0 HD2 LYS A 11 8.107 4.247 6.724 1.00 0.00 H new ATOM 0 HD3 LYS A 11 6.699 3.807 5.779 1.00 0.00 H new ATOM 0 HE2 LYS A 11 5.482 3.976 8.198 1.00 0.00 H new ATOM 0 HE3 LYS A 11 6.824 5.052 8.531 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 5.690 6.607 7.415 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 5.985 5.736 5.987 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 4.546 5.485 6.853 1.00 0.00 H new ATOM 170 N PRO A 12 7.418 -0.165 5.255 1.00 0.00 N ATOM 171 CA PRO A 12 8.562 -0.788 4.505 1.00 0.00 C ATOM 172 C PRO A 12 8.446 -0.714 2.968 1.00 0.00 C ATOM 173 O PRO A 12 9.434 -0.694 2.250 1.00 0.00 O ATOM 174 CB PRO A 12 8.619 -2.234 5.069 1.00 0.00 C ATOM 175 CG PRO A 12 7.260 -2.422 5.789 1.00 0.00 C ATOM 176 CD PRO A 12 7.003 -1.049 6.387 1.00 0.00 C ATOM 0 HA PRO A 12 9.493 -0.243 4.661 1.00 0.00 H new ATOM 0 HB2 PRO A 12 8.751 -2.966 4.272 1.00 0.00 H new ATOM 0 HB3 PRO A 12 9.454 -2.359 5.758 1.00 0.00 H new ATOM 0 HG2 PRO A 12 6.472 -2.715 5.095 1.00 0.00 H new ATOM 0 HG3 PRO A 12 7.312 -3.194 6.557 1.00 0.00 H new ATOM 0 HD2 PRO A 12 5.957 -0.907 6.660 1.00 0.00 H new ATOM 0 HD3 PRO A 12 7.594 -0.873 7.286 1.00 0.00 H new ATOM 184 N CYS A 13 7.231 -0.658 2.487 1.00 0.00 N ATOM 185 CA CYS A 13 7.062 -0.583 0.988 1.00 0.00 C ATOM 186 C CYS A 13 7.170 0.860 0.595 1.00 0.00 C ATOM 187 O CYS A 13 7.918 1.224 -0.292 1.00 0.00 O ATOM 188 CB CYS A 13 5.705 -1.157 0.613 1.00 0.00 C ATOM 189 SG CYS A 13 5.791 -2.959 0.600 1.00 0.00 S ATOM 0 H CYS A 13 6.371 -0.660 3.036 1.00 0.00 H new ATOM 0 HA CYS A 13 7.826 -1.160 0.467 1.00 0.00 H new ATOM 0 HB2 CYS A 13 4.949 -0.824 1.325 1.00 0.00 H new ATOM 0 HB3 CYS A 13 5.403 -0.790 -0.368 1.00 0.00 H new ATOM 194 N LEU A 14 6.409 1.668 1.273 1.00 0.00 N ATOM 195 CA LEU A 14 6.449 3.111 0.976 1.00 0.00 C ATOM 196 C LEU A 14 7.959 3.486 1.024 1.00 0.00 C ATOM 197 O LEU A 14 8.505 3.941 0.042 1.00 0.00 O ATOM 198 CB LEU A 14 5.682 3.912 2.042 1.00 0.00 C ATOM 199 CG LEU A 14 6.124 5.405 1.965 1.00 0.00 C ATOM 200 CD1 LEU A 14 5.883 5.969 0.555 1.00 0.00 C ATOM 201 CD2 LEU A 14 5.304 6.231 2.929 1.00 0.00 C ATOM 0 H LEU A 14 5.767 1.388 2.014 1.00 0.00 H new ATOM 0 HA LEU A 14 5.987 3.337 0.015 1.00 0.00 H new ATOM 0 HB2 LEU A 14 4.608 3.828 1.877 1.00 0.00 H new ATOM 0 HB3 LEU A 14 5.884 3.509 3.034 1.00 0.00 H new ATOM 0 HG LEU A 14 7.184 5.453 2.213 1.00 0.00 H new ATOM 0 HD11 LEU A 14 6.198 7.012 0.522 1.00 0.00 H new ATOM 0 HD12 LEU A 14 6.458 5.393 -0.170 1.00 0.00 H new ATOM 0 HD13 LEU A 14 4.822 5.902 0.313 1.00 0.00 H new ATOM 0 HD21 LEU A 14 5.616 7.274 2.872 1.00 0.00 H new ATOM 0 HD22 LEU A 14 4.249 6.154 2.668 1.00 0.00 H new ATOM 0 HD23 LEU A 14 5.455 5.862 3.944 1.00 0.00 H new ATOM 213 N THR A 15 8.577 3.261 2.178 1.00 0.00 N ATOM 214 CA THR A 15 10.044 3.570 2.394 1.00 0.00 C ATOM 215 C THR A 15 10.733 3.115 1.141 1.00 0.00 C ATOM 216 O THR A 15 11.277 3.926 0.418 1.00 0.00 O ATOM 217 CB THR A 15 10.690 2.791 3.606 1.00 0.00 C ATOM 218 OG1 THR A 15 10.302 1.443 3.443 1.00 0.00 O ATOM 219 CG2 THR A 15 10.088 3.109 4.947 1.00 0.00 C ATOM 0 H THR A 15 8.113 2.867 2.996 1.00 0.00 H new ATOM 0 HA THR A 15 10.150 4.632 2.617 1.00 0.00 H new ATOM 0 HB THR A 15 11.752 3.036 3.598 1.00 0.00 H new ATOM 0 HG1 THR A 15 11.069 0.858 3.617 1.00 0.00 H new ATOM 0 HG21 THR A 15 10.593 2.529 5.719 1.00 0.00 H new ATOM 0 HG22 THR A 15 10.206 4.172 5.156 1.00 0.00 H new ATOM 0 HG23 THR A 15 9.028 2.857 4.939 1.00 0.00 H new ATOM 227 N TYR A 16 10.683 1.835 0.912 1.00 0.00 N ATOM 228 CA TYR A 16 11.327 1.285 -0.309 1.00 0.00 C ATOM 229 C TYR A 16 11.069 2.141 -1.586 1.00 0.00 C ATOM 230 O TYR A 16 12.012 2.609 -2.199 1.00 0.00 O ATOM 231 CB TYR A 16 10.787 -0.144 -0.423 1.00 0.00 C ATOM 232 CG TYR A 16 11.249 -0.914 -1.666 1.00 0.00 C ATOM 233 CD1 TYR A 16 12.578 -0.996 -2.033 1.00 0.00 C ATOM 234 CD2 TYR A 16 10.305 -1.570 -2.427 1.00 0.00 C ATOM 235 CE1 TYR A 16 12.944 -1.732 -3.149 1.00 0.00 C ATOM 236 CE2 TYR A 16 10.682 -2.303 -3.535 1.00 0.00 C ATOM 237 CZ TYR A 16 11.997 -2.388 -3.899 1.00 0.00 C ATOM 238 OH TYR A 16 12.341 -3.136 -5.004 1.00 0.00 O ATOM 0 H TYR A 16 10.227 1.149 1.514 1.00 0.00 H new ATOM 0 HA TYR A 16 12.414 1.301 -0.227 1.00 0.00 H new ATOM 0 HB2 TYR A 16 11.088 -0.702 0.464 1.00 0.00 H new ATOM 0 HB3 TYR A 16 9.698 -0.106 -0.422 1.00 0.00 H new ATOM 0 HD1 TYR A 16 13.332 -0.487 -1.451 1.00 0.00 H new ATOM 0 HD2 TYR A 16 9.262 -1.510 -2.154 1.00 0.00 H new ATOM 0 HE1 TYR A 16 13.984 -1.791 -3.432 1.00 0.00 H new ATOM 0 HE2 TYR A 16 9.931 -2.814 -4.119 1.00 0.00 H new ATOM 0 HH TYR A 16 11.533 -3.523 -5.401 1.00 0.00 H new ATOM 248 N VAL A 17 9.836 2.372 -1.976 1.00 0.00 N ATOM 249 CA VAL A 17 9.631 3.182 -3.222 1.00 0.00 C ATOM 250 C VAL A 17 10.009 4.645 -3.097 1.00 0.00 C ATOM 251 O VAL A 17 10.392 5.169 -4.116 1.00 0.00 O ATOM 252 CB VAL A 17 8.147 3.095 -3.731 1.00 0.00 C ATOM 253 CG1 VAL A 17 7.609 1.704 -3.532 1.00 0.00 C ATOM 254 CG2 VAL A 17 7.151 4.103 -3.222 1.00 0.00 C ATOM 0 H VAL A 17 8.991 2.049 -1.506 1.00 0.00 H new ATOM 0 HA VAL A 17 10.314 2.730 -3.942 1.00 0.00 H new ATOM 0 HB VAL A 17 8.246 3.360 -4.784 1.00 0.00 H new ATOM 0 HG11 VAL A 17 6.580 1.657 -3.889 1.00 0.00 H new ATOM 0 HG12 VAL A 17 8.219 0.994 -4.091 1.00 0.00 H new ATOM 0 HG13 VAL A 17 7.637 1.451 -2.472 1.00 0.00 H new ATOM 0 HG21 VAL A 17 6.175 3.907 -3.667 1.00 0.00 H new ATOM 0 HG22 VAL A 17 7.077 4.026 -2.137 1.00 0.00 H new ATOM 0 HG23 VAL A 17 7.479 5.107 -3.493 1.00 0.00 H new ATOM 264 N GLN A 18 9.919 5.310 -1.971 1.00 0.00 N ATOM 265 CA GLN A 18 10.342 6.749 -2.000 1.00 0.00 C ATOM 266 C GLN A 18 11.870 6.845 -1.929 1.00 0.00 C ATOM 267 O GLN A 18 12.417 7.888 -2.233 1.00 0.00 O ATOM 268 CB GLN A 18 9.714 7.524 -0.821 1.00 0.00 C ATOM 269 CG GLN A 18 9.754 6.730 0.493 1.00 0.00 C ATOM 270 CD GLN A 18 9.320 7.555 1.698 1.00 0.00 C ATOM 271 OE1 GLN A 18 9.151 7.041 2.784 1.00 0.00 O ATOM 272 NE2 GLN A 18 9.126 8.829 1.558 1.00 0.00 N ATOM 0 H GLN A 18 9.590 4.946 -1.077 1.00 0.00 H new ATOM 0 HA GLN A 18 9.995 7.193 -2.933 1.00 0.00 H new ATOM 0 HB2 GLN A 18 10.243 8.468 -0.688 1.00 0.00 H new ATOM 0 HB3 GLN A 18 8.680 7.770 -1.062 1.00 0.00 H new ATOM 0 HG2 GLN A 18 9.107 5.858 0.404 1.00 0.00 H new ATOM 0 HG3 GLN A 18 10.766 6.360 0.658 1.00 0.00 H new ATOM 0 HE21 GLN A 18 9.266 9.269 0.649 1.00 0.00 H new ATOM 0 HE22 GLN A 18 8.834 9.391 2.357 1.00 0.00 H new ATOM 281 N GLY A 19 12.490 5.764 -1.517 1.00 0.00 N ATOM 282 CA GLY A 19 13.997 5.689 -1.407 1.00 0.00 C ATOM 283 C GLY A 19 14.570 5.402 -0.016 1.00 0.00 C ATOM 284 O GLY A 19 15.623 5.897 0.329 1.00 0.00 O ATOM 0 H GLY A 19 12.009 4.907 -1.244 1.00 0.00 H new ATOM 0 HA2 GLY A 19 14.350 4.914 -2.087 1.00 0.00 H new ATOM 0 HA3 GLY A 19 14.412 6.634 -1.758 1.00 0.00 H new ATOM 288 N GLY A 20 13.875 4.610 0.741 1.00 0.00 N ATOM 289 CA GLY A 20 14.325 4.246 2.132 1.00 0.00 C ATOM 290 C GLY A 20 14.527 2.733 2.321 1.00 0.00 C ATOM 291 O GLY A 20 14.248 1.959 1.423 1.00 0.00 O ATOM 0 H GLY A 20 12.992 4.184 0.459 1.00 0.00 H new ATOM 0 HA2 GLY A 20 15.259 4.762 2.352 1.00 0.00 H new ATOM 0 HA3 GLY A 20 13.587 4.601 2.851 1.00 0.00 H new ATOM 295 N PRO A 21 15.011 2.352 3.489 1.00 0.00 N ATOM 296 CA PRO A 21 15.099 0.916 3.907 1.00 0.00 C ATOM 297 C PRO A 21 13.900 0.041 3.487 1.00 0.00 C ATOM 298 O PRO A 21 12.798 0.531 3.347 1.00 0.00 O ATOM 299 CB PRO A 21 15.299 1.017 5.425 1.00 0.00 C ATOM 300 CG PRO A 21 16.196 2.275 5.534 1.00 0.00 C ATOM 301 CD PRO A 21 15.534 3.266 4.551 1.00 0.00 C ATOM 0 HA PRO A 21 15.910 0.390 3.403 1.00 0.00 H new ATOM 0 HB2 PRO A 21 14.355 1.139 5.956 1.00 0.00 H new ATOM 0 HB3 PRO A 21 15.783 0.131 5.835 1.00 0.00 H new ATOM 0 HG2 PRO A 21 16.216 2.669 6.550 1.00 0.00 H new ATOM 0 HG3 PRO A 21 17.227 2.060 5.255 1.00 0.00 H new ATOM 0 HD2 PRO A 21 14.737 3.839 5.025 1.00 0.00 H new ATOM 0 HD3 PRO A 21 16.250 3.985 4.153 1.00 0.00 H new ATOM 309 N GLY A 22 14.158 -1.229 3.312 1.00 0.00 N ATOM 310 CA GLY A 22 13.070 -2.186 2.897 1.00 0.00 C ATOM 311 C GLY A 22 13.343 -2.743 1.491 1.00 0.00 C ATOM 312 O GLY A 22 14.353 -2.432 0.887 1.00 0.00 O ATOM 0 H GLY A 22 15.077 -1.653 3.437 1.00 0.00 H new ATOM 0 HA2 GLY A 22 13.008 -3.006 3.613 1.00 0.00 H new ATOM 0 HA3 GLY A 22 12.106 -1.677 2.911 1.00 0.00 H new ATOM 316 N PRO A 23 12.461 -3.561 0.968 1.00 0.00 N ATOM 317 CA PRO A 23 11.216 -4.108 1.591 1.00 0.00 C ATOM 318 C PRO A 23 11.433 -5.558 2.105 1.00 0.00 C ATOM 319 O PRO A 23 10.542 -6.188 2.648 1.00 0.00 O ATOM 320 CB PRO A 23 10.264 -3.961 0.431 1.00 0.00 C ATOM 321 CG PRO A 23 11.135 -4.483 -0.758 1.00 0.00 C ATOM 322 CD PRO A 23 12.587 -4.056 -0.429 1.00 0.00 C ATOM 0 HA PRO A 23 10.857 -3.612 2.493 1.00 0.00 H new ATOM 0 HB2 PRO A 23 9.359 -4.553 0.566 1.00 0.00 H new ATOM 0 HB3 PRO A 23 9.951 -2.927 0.286 1.00 0.00 H new ATOM 0 HG2 PRO A 23 11.057 -5.566 -0.855 1.00 0.00 H new ATOM 0 HG3 PRO A 23 10.805 -4.054 -1.704 1.00 0.00 H new ATOM 0 HD2 PRO A 23 13.284 -4.891 -0.504 1.00 0.00 H new ATOM 0 HD3 PRO A 23 12.946 -3.280 -1.105 1.00 0.00 H new ATOM 330 N SER A 24 12.643 -6.007 1.899 1.00 0.00 N ATOM 331 CA SER A 24 13.110 -7.378 2.300 1.00 0.00 C ATOM 332 C SER A 24 12.025 -8.502 2.178 1.00 0.00 C ATOM 333 O SER A 24 11.694 -8.990 1.103 1.00 0.00 O ATOM 334 CB SER A 24 13.608 -7.222 3.754 1.00 0.00 C ATOM 335 OG SER A 24 14.517 -6.132 3.758 1.00 0.00 O ATOM 0 H SER A 24 13.368 -5.451 1.445 1.00 0.00 H new ATOM 0 HA SER A 24 13.889 -7.717 1.617 1.00 0.00 H new ATOM 0 HB2 SER A 24 12.774 -7.034 4.431 1.00 0.00 H new ATOM 0 HB3 SER A 24 14.096 -8.135 4.096 1.00 0.00 H new ATOM 0 HG SER A 24 14.190 -5.435 4.364 1.00 0.00 H new ATOM 341 N GLY A 25 11.532 -8.851 3.337 1.00 0.00 N ATOM 342 CA GLY A 25 10.474 -9.887 3.581 1.00 0.00 C ATOM 343 C GLY A 25 9.395 -9.104 4.324 1.00 0.00 C ATOM 344 O GLY A 25 8.239 -9.160 3.968 1.00 0.00 O ATOM 0 H GLY A 25 11.852 -8.418 4.203 1.00 0.00 H new ATOM 0 HA2 GLY A 25 10.098 -10.308 2.648 1.00 0.00 H new ATOM 0 HA3 GLY A 25 10.852 -10.718 4.176 1.00 0.00 H new ATOM 348 N GLU A 26 9.864 -8.416 5.338 1.00 0.00 N ATOM 349 CA GLU A 26 9.038 -7.541 6.236 1.00 0.00 C ATOM 350 C GLU A 26 7.907 -6.883 5.438 1.00 0.00 C ATOM 351 O GLU A 26 6.741 -6.972 5.789 1.00 0.00 O ATOM 352 CB GLU A 26 10.003 -6.477 6.859 1.00 0.00 C ATOM 353 CG GLU A 26 10.582 -5.584 5.687 1.00 0.00 C ATOM 354 CD GLU A 26 11.697 -4.620 6.045 1.00 0.00 C ATOM 355 OE1 GLU A 26 11.365 -3.670 6.728 1.00 0.00 O ATOM 356 OE2 GLU A 26 12.798 -4.902 5.594 1.00 0.00 O ATOM 0 H GLU A 26 10.851 -8.428 5.595 1.00 0.00 H new ATOM 0 HA GLU A 26 8.566 -8.120 7.030 1.00 0.00 H new ATOM 0 HB2 GLU A 26 9.470 -5.858 7.581 1.00 0.00 H new ATOM 0 HB3 GLU A 26 10.813 -6.968 7.398 1.00 0.00 H new ATOM 0 HG2 GLU A 26 10.946 -6.248 4.903 1.00 0.00 H new ATOM 0 HG3 GLU A 26 9.760 -5.009 5.261 1.00 0.00 H new ATOM 363 N CYS A 27 8.273 -6.241 4.351 1.00 0.00 N ATOM 364 CA CYS A 27 7.193 -5.605 3.585 1.00 0.00 C ATOM 365 C CYS A 27 6.500 -6.715 2.875 1.00 0.00 C ATOM 366 O CYS A 27 5.313 -6.751 2.976 1.00 0.00 O ATOM 367 CB CYS A 27 7.684 -4.630 2.549 1.00 0.00 C ATOM 368 SG CYS A 27 6.475 -3.282 2.471 1.00 0.00 S ATOM 0 H CYS A 27 9.221 -6.141 3.989 1.00 0.00 H new ATOM 0 HA CYS A 27 6.559 -5.041 4.269 1.00 0.00 H new ATOM 0 HB2 CYS A 27 8.670 -4.249 2.816 1.00 0.00 H new ATOM 0 HB3 CYS A 27 7.782 -5.116 1.578 1.00 0.00 H new ATOM 373 N CYS A 28 7.148 -7.603 2.181 1.00 0.00 N ATOM 374 CA CYS A 28 6.374 -8.701 1.490 1.00 0.00 C ATOM 375 C CYS A 28 5.213 -9.296 2.290 1.00 0.00 C ATOM 376 O CYS A 28 4.115 -9.456 1.785 1.00 0.00 O ATOM 377 CB CYS A 28 7.337 -9.801 1.121 1.00 0.00 C ATOM 378 SG CYS A 28 8.566 -9.259 -0.073 1.00 0.00 S ATOM 0 H CYS A 28 8.160 -7.629 2.055 1.00 0.00 H new ATOM 0 HA CYS A 28 5.910 -8.238 0.620 1.00 0.00 H new ATOM 0 HB2 CYS A 28 7.840 -10.158 2.020 1.00 0.00 H new ATOM 0 HB3 CYS A 28 6.782 -10.644 0.710 1.00 0.00 H new ATOM 383 N ASN A 29 5.506 -9.603 3.526 1.00 0.00 N ATOM 384 CA ASN A 29 4.434 -10.186 4.394 1.00 0.00 C ATOM 385 C ASN A 29 3.433 -9.059 4.595 1.00 0.00 C ATOM 386 O ASN A 29 2.254 -9.309 4.464 1.00 0.00 O ATOM 387 CB ASN A 29 5.040 -10.678 5.742 1.00 0.00 C ATOM 388 CG ASN A 29 5.910 -9.650 6.387 1.00 0.00 C ATOM 389 OD1 ASN A 29 7.111 -9.693 6.297 1.00 0.00 O ATOM 390 ND2 ASN A 29 5.362 -8.695 7.056 1.00 0.00 N ATOM 0 H ASN A 29 6.418 -9.480 3.967 1.00 0.00 H new ATOM 0 HA ASN A 29 3.956 -11.058 3.947 1.00 0.00 H new ATOM 0 HB2 ASN A 29 4.232 -10.945 6.424 1.00 0.00 H new ATOM 0 HB3 ASN A 29 5.622 -11.583 5.566 1.00 0.00 H new ATOM 0 HD21 ASN A 29 5.944 -7.986 7.502 1.00 0.00 H new ATOM 0 HD22 ASN A 29 4.346 -8.648 7.139 1.00 0.00 H new ATOM 397 N GLY A 30 3.894 -7.863 4.904 1.00 0.00 N ATOM 398 CA GLY A 30 2.931 -6.722 5.092 1.00 0.00 C ATOM 399 C GLY A 30 2.112 -6.713 3.792 1.00 0.00 C ATOM 400 O GLY A 30 0.951 -7.004 3.782 1.00 0.00 O ATOM 0 H GLY A 30 4.879 -7.630 5.032 1.00 0.00 H new ATOM 0 HA2 GLY A 30 2.295 -6.875 5.964 1.00 0.00 H new ATOM 0 HA3 GLY A 30 3.454 -5.778 5.241 1.00 0.00 H new ATOM 404 N VAL A 31 2.744 -6.371 2.721 1.00 0.00 N ATOM 405 CA VAL A 31 2.170 -6.312 1.341 1.00 0.00 C ATOM 406 C VAL A 31 1.092 -7.394 1.153 1.00 0.00 C ATOM 407 O VAL A 31 -0.044 -7.092 0.861 1.00 0.00 O ATOM 408 CB VAL A 31 3.425 -6.475 0.447 1.00 0.00 C ATOM 409 CG1 VAL A 31 3.169 -7.093 -0.904 1.00 0.00 C ATOM 410 CG2 VAL A 31 4.018 -5.129 0.190 1.00 0.00 C ATOM 0 H VAL A 31 3.728 -6.104 2.742 1.00 0.00 H new ATOM 0 HA VAL A 31 1.636 -5.393 1.099 1.00 0.00 H new ATOM 0 HB VAL A 31 4.081 -7.147 1.000 1.00 0.00 H new ATOM 0 HG11 VAL A 31 4.107 -7.165 -1.455 1.00 0.00 H new ATOM 0 HG12 VAL A 31 2.747 -8.090 -0.774 1.00 0.00 H new ATOM 0 HG13 VAL A 31 2.468 -6.472 -1.461 1.00 0.00 H new ATOM 0 HG21 VAL A 31 4.902 -5.235 -0.439 1.00 0.00 H new ATOM 0 HG22 VAL A 31 3.286 -4.500 -0.316 1.00 0.00 H new ATOM 0 HG23 VAL A 31 4.299 -4.669 1.137 1.00 0.00 H new ATOM 420 N ARG A 32 1.479 -8.633 1.318 1.00 0.00 N ATOM 421 CA ARG A 32 0.546 -9.789 1.172 1.00 0.00 C ATOM 422 C ARG A 32 -0.629 -9.618 2.163 1.00 0.00 C ATOM 423 O ARG A 32 -1.780 -9.597 1.758 1.00 0.00 O ATOM 424 CB ARG A 32 1.372 -11.067 1.444 1.00 0.00 C ATOM 425 CG ARG A 32 0.922 -12.240 0.502 1.00 0.00 C ATOM 426 CD ARG A 32 -0.626 -12.415 0.487 1.00 0.00 C ATOM 427 NE ARG A 32 -1.177 -12.741 1.848 1.00 0.00 N ATOM 428 CZ ARG A 32 -0.498 -13.149 2.846 1.00 0.00 C ATOM 429 NH1 ARG A 32 0.217 -14.202 2.759 1.00 0.00 N ATOM 430 NH2 ARG A 32 -0.671 -12.377 3.831 1.00 0.00 N ATOM 0 H ARG A 32 2.435 -8.898 1.556 1.00 0.00 H new ATOM 0 HA ARG A 32 0.110 -9.853 0.175 1.00 0.00 H new ATOM 0 HB2 ARG A 32 2.431 -10.859 1.291 1.00 0.00 H new ATOM 0 HB3 ARG A 32 1.253 -11.366 2.485 1.00 0.00 H new ATOM 0 HG2 ARG A 32 1.275 -12.047 -0.511 1.00 0.00 H new ATOM 0 HG3 ARG A 32 1.389 -13.169 0.831 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -1.089 -11.499 0.120 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -0.893 -13.209 -0.210 1.00 0.00 H new ATOM 0 HE ARG A 32 -2.181 -12.625 1.984 1.00 0.00 H new ATOM 0 HH11 ARG A 32 0.249 -14.726 1.884 1.00 0.00 H new ATOM 0 HH12 ARG A 32 0.757 -14.520 3.564 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -1.286 -11.568 3.743 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -0.196 -12.563 4.714 1.00 0.00 H new ATOM 444 N ASP A 33 -0.317 -9.512 3.437 1.00 0.00 N ATOM 445 CA ASP A 33 -1.382 -9.329 4.473 1.00 0.00 C ATOM 446 C ASP A 33 -2.320 -8.239 3.974 1.00 0.00 C ATOM 447 O ASP A 33 -3.516 -8.375 3.982 1.00 0.00 O ATOM 448 CB ASP A 33 -0.724 -8.921 5.800 1.00 0.00 C ATOM 449 CG ASP A 33 -0.263 -10.117 6.605 1.00 0.00 C ATOM 450 OD1 ASP A 33 0.094 -11.130 6.017 1.00 0.00 O ATOM 451 OD2 ASP A 33 -0.302 -9.898 7.803 1.00 0.00 O ATOM 0 H ASP A 33 0.635 -9.545 3.802 1.00 0.00 H new ATOM 0 HA ASP A 33 -1.942 -10.249 4.640 1.00 0.00 H new ATOM 0 HB2 ASP A 33 0.128 -8.273 5.596 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -1.432 -8.340 6.390 1.00 0.00 H new ATOM 456 N LEU A 34 -1.718 -7.172 3.551 1.00 0.00 N ATOM 457 CA LEU A 34 -2.446 -6.008 3.020 1.00 0.00 C ATOM 458 C LEU A 34 -3.319 -6.543 1.906 1.00 0.00 C ATOM 459 O LEU A 34 -4.507 -6.370 2.023 1.00 0.00 O ATOM 460 CB LEU A 34 -1.427 -4.946 2.493 1.00 0.00 C ATOM 461 CG LEU A 34 -1.429 -3.586 3.290 1.00 0.00 C ATOM 462 CD1 LEU A 34 -1.978 -2.457 2.417 1.00 0.00 C ATOM 463 CD2 LEU A 34 -2.320 -3.563 4.529 1.00 0.00 C ATOM 0 H LEU A 34 -0.704 -7.060 3.554 1.00 0.00 H new ATOM 0 HA LEU A 34 -3.052 -5.513 3.779 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -0.425 -5.373 2.530 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -1.646 -4.739 1.446 1.00 0.00 H new ATOM 0 HG LEU A 34 -0.386 -3.465 3.583 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -1.973 -1.525 2.982 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -1.354 -2.347 1.530 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -2.999 -2.693 2.116 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -2.253 -2.586 5.007 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -3.353 -3.754 4.238 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -1.991 -4.332 5.228 1.00 0.00 H new ATOM 475 N HIS A 35 -2.801 -7.164 0.877 1.00 0.00 N ATOM 476 CA HIS A 35 -3.727 -7.670 -0.189 1.00 0.00 C ATOM 477 C HIS A 35 -4.976 -8.358 0.373 1.00 0.00 C ATOM 478 O HIS A 35 -6.074 -8.063 -0.058 1.00 0.00 O ATOM 479 CB HIS A 35 -2.877 -8.605 -1.085 1.00 0.00 C ATOM 480 CG HIS A 35 -3.661 -9.556 -2.011 1.00 0.00 C ATOM 481 ND1 HIS A 35 -3.089 -10.182 -2.980 1.00 0.00 N ATOM 482 CD2 HIS A 35 -4.983 -9.998 -2.084 1.00 0.00 C ATOM 483 CE1 HIS A 35 -3.945 -10.939 -3.594 1.00 0.00 C ATOM 484 NE2 HIS A 35 -5.135 -10.852 -3.071 1.00 0.00 N ATOM 0 H HIS A 35 -1.808 -7.341 0.727 1.00 0.00 H new ATOM 0 HA HIS A 35 -4.134 -6.841 -0.768 1.00 0.00 H new ATOM 0 HB2 HIS A 35 -2.223 -7.988 -1.701 1.00 0.00 H new ATOM 0 HB3 HIS A 35 -2.234 -9.206 -0.441 1.00 0.00 H new ATOM 0 HD1 HIS A 35 -2.104 -10.095 -3.229 1.00 0.00 H new ATOM 0 HD2 HIS A 35 -5.773 -9.681 -1.420 1.00 0.00 H new ATOM 0 HE1 HIS A 35 -3.700 -11.567 -4.438 1.00 0.00 H new ATOM 492 N ASN A 36 -4.788 -9.224 1.332 1.00 0.00 N ATOM 493 CA ASN A 36 -5.951 -9.951 1.911 1.00 0.00 C ATOM 494 C ASN A 36 -6.652 -9.241 3.067 1.00 0.00 C ATOM 495 O ASN A 36 -7.728 -9.640 3.451 1.00 0.00 O ATOM 496 CB ASN A 36 -5.439 -11.359 2.334 1.00 0.00 C ATOM 497 CG ASN A 36 -4.355 -11.308 3.402 1.00 0.00 C ATOM 498 OD1 ASN A 36 -3.169 -11.379 3.140 1.00 0.00 O ATOM 499 ND2 ASN A 36 -4.715 -11.191 4.637 1.00 0.00 N ATOM 0 H ASN A 36 -3.882 -9.458 1.738 1.00 0.00 H new ATOM 0 HA ASN A 36 -6.727 -10.009 1.148 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -6.278 -11.947 2.705 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -5.051 -11.876 1.456 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -4.010 -11.160 5.373 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -5.705 -11.130 4.876 1.00 0.00 H new ATOM 506 N GLN A 37 -6.069 -8.215 3.616 1.00 0.00 N ATOM 507 CA GLN A 37 -6.711 -7.489 4.745 1.00 0.00 C ATOM 508 C GLN A 37 -7.443 -6.275 4.215 1.00 0.00 C ATOM 509 O GLN A 37 -8.511 -5.938 4.672 1.00 0.00 O ATOM 510 CB GLN A 37 -5.592 -7.155 5.680 1.00 0.00 C ATOM 511 CG GLN A 37 -5.195 -8.471 6.405 1.00 0.00 C ATOM 512 CD GLN A 37 -5.273 -8.242 7.886 1.00 0.00 C ATOM 513 OE1 GLN A 37 -6.265 -8.341 8.574 1.00 0.00 O ATOM 514 NE2 GLN A 37 -4.136 -7.906 8.379 1.00 0.00 N ATOM 0 H GLN A 37 -5.164 -7.844 3.327 1.00 0.00 H new ATOM 0 HA GLN A 37 -7.467 -8.073 5.271 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -4.743 -6.745 5.134 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -5.904 -6.398 6.399 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -5.863 -9.281 6.111 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -4.186 -8.770 6.121 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -3.319 -7.831 7.773 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -4.050 -7.714 9.377 1.00 0.00 H new ATOM 523 N ALA A 38 -6.837 -5.667 3.236 1.00 0.00 N ATOM 524 CA ALA A 38 -7.392 -4.460 2.565 1.00 0.00 C ATOM 525 C ALA A 38 -8.373 -5.015 1.500 1.00 0.00 C ATOM 526 O ALA A 38 -8.845 -4.285 0.653 1.00 0.00 O ATOM 527 CB ALA A 38 -6.214 -3.689 1.911 1.00 0.00 C ATOM 0 H ALA A 38 -5.940 -5.972 2.858 1.00 0.00 H new ATOM 0 HA ALA A 38 -7.903 -3.772 3.238 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -6.595 -2.798 1.412 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -5.499 -3.396 2.680 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -5.720 -4.331 1.182 1.00 0.00 H new ATOM 533 N GLN A 39 -8.655 -6.292 1.603 1.00 0.00 N ATOM 534 CA GLN A 39 -9.579 -7.028 0.678 1.00 0.00 C ATOM 535 C GLN A 39 -11.035 -6.817 1.150 1.00 0.00 C ATOM 536 O GLN A 39 -11.819 -7.726 1.303 1.00 0.00 O ATOM 537 CB GLN A 39 -9.122 -8.498 0.745 1.00 0.00 C ATOM 538 CG GLN A 39 -9.665 -9.329 -0.435 1.00 0.00 C ATOM 539 CD GLN A 39 -9.082 -10.743 -0.386 1.00 0.00 C ATOM 540 OE1 GLN A 39 -9.339 -11.518 0.506 1.00 0.00 O ATOM 541 NE2 GLN A 39 -8.287 -11.163 -1.317 1.00 0.00 N ATOM 0 H GLN A 39 -8.259 -6.886 2.332 1.00 0.00 H new ATOM 0 HA GLN A 39 -9.547 -6.679 -0.354 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -8.033 -8.539 0.746 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -9.458 -8.939 1.683 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -10.753 -9.373 -0.390 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -9.404 -8.851 -1.379 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -8.039 -10.548 -2.092 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -7.909 -12.109 -1.276 1.00 0.00 H new ATOM 550 N SER A 40 -11.348 -5.567 1.366 1.00 0.00 N ATOM 551 CA SER A 40 -12.710 -5.105 1.839 1.00 0.00 C ATOM 552 C SER A 40 -13.525 -4.240 0.798 1.00 0.00 C ATOM 553 O SER A 40 -13.340 -4.368 -0.402 1.00 0.00 O ATOM 554 CB SER A 40 -12.364 -4.395 3.212 1.00 0.00 C ATOM 555 OG SER A 40 -13.258 -3.319 3.473 1.00 0.00 O ATOM 0 H SER A 40 -10.688 -4.802 1.229 1.00 0.00 H new ATOM 0 HA SER A 40 -13.422 -5.921 1.963 1.00 0.00 H new ATOM 0 HB2 SER A 40 -12.417 -5.121 4.024 1.00 0.00 H new ATOM 0 HB3 SER A 40 -11.340 -4.022 3.184 1.00 0.00 H new ATOM 0 HG SER A 40 -12.755 -2.479 3.514 1.00 0.00 H new ATOM 561 N SER A 41 -14.394 -3.377 1.243 1.00 0.00 N ATOM 562 CA SER A 41 -15.232 -2.502 0.339 1.00 0.00 C ATOM 563 C SER A 41 -14.601 -1.106 0.126 1.00 0.00 C ATOM 564 O SER A 41 -15.178 -0.107 0.499 1.00 0.00 O ATOM 565 CB SER A 41 -16.666 -2.372 0.986 1.00 0.00 C ATOM 566 OG SER A 41 -17.422 -1.483 0.163 1.00 0.00 O ATOM 0 H SER A 41 -14.573 -3.228 2.236 1.00 0.00 H new ATOM 0 HA SER A 41 -15.293 -2.962 -0.647 1.00 0.00 H new ATOM 0 HB2 SER A 41 -17.151 -3.346 1.046 1.00 0.00 H new ATOM 0 HB3 SER A 41 -16.595 -1.988 2.004 1.00 0.00 H new ATOM 0 HG SER A 41 -17.023 -0.589 0.195 1.00 0.00 H new ATOM 572 N GLY A 42 -13.443 -1.052 -0.479 1.00 0.00 N ATOM 573 CA GLY A 42 -12.791 0.288 -0.706 1.00 0.00 C ATOM 574 C GLY A 42 -11.326 0.354 -0.331 1.00 0.00 C ATOM 575 O GLY A 42 -10.583 1.014 -1.030 1.00 0.00 O ATOM 0 H GLY A 42 -12.922 -1.858 -0.823 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -12.894 0.553 -1.758 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -13.332 1.041 -0.133 1.00 0.00 H new ATOM 579 N ASP A 43 -10.932 -0.287 0.744 1.00 0.00 N ATOM 580 CA ASP A 43 -9.495 -0.276 1.173 1.00 0.00 C ATOM 581 C ASP A 43 -8.496 -0.084 0.002 1.00 0.00 C ATOM 582 O ASP A 43 -7.932 0.974 -0.130 1.00 0.00 O ATOM 583 CB ASP A 43 -9.283 -1.593 1.920 1.00 0.00 C ATOM 584 CG ASP A 43 -9.887 -1.508 3.319 1.00 0.00 C ATOM 585 OD1 ASP A 43 -11.099 -1.597 3.398 1.00 0.00 O ATOM 586 OD2 ASP A 43 -9.098 -1.358 4.233 1.00 0.00 O ATOM 0 H ASP A 43 -11.552 -0.824 1.350 1.00 0.00 H new ATOM 0 HA ASP A 43 -9.292 0.584 1.811 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -9.743 -2.412 1.366 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -8.218 -1.813 1.989 1.00 0.00 H new ATOM 591 N ARG A 44 -8.289 -1.083 -0.817 1.00 0.00 N ATOM 592 CA ARG A 44 -7.357 -1.005 -1.985 1.00 0.00 C ATOM 593 C ARG A 44 -7.374 0.405 -2.672 1.00 0.00 C ATOM 594 O ARG A 44 -6.327 0.964 -2.974 1.00 0.00 O ATOM 595 CB ARG A 44 -7.819 -2.211 -2.851 1.00 0.00 C ATOM 596 CG ARG A 44 -7.498 -3.470 -2.034 1.00 0.00 C ATOM 597 CD ARG A 44 -8.358 -4.705 -2.357 1.00 0.00 C ATOM 598 NE ARG A 44 -9.713 -4.300 -2.876 1.00 0.00 N ATOM 599 CZ ARG A 44 -10.798 -4.296 -2.201 1.00 0.00 C ATOM 600 NH1 ARG A 44 -10.782 -3.999 -0.983 1.00 0.00 N ATOM 601 NH2 ARG A 44 -11.907 -4.587 -2.738 1.00 0.00 N ATOM 0 H ARG A 44 -8.748 -1.989 -0.719 1.00 0.00 H new ATOM 0 HA ARG A 44 -6.298 -1.086 -1.741 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -8.885 -2.149 -3.068 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -7.299 -2.225 -3.809 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -6.450 -3.727 -2.191 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -7.613 -3.235 -0.976 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -7.850 -5.322 -3.099 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -8.475 -5.315 -1.461 1.00 0.00 H new ATOM 0 HE ARG A 44 -9.769 -4.003 -3.850 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -9.901 -3.760 -0.528 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -11.650 -3.997 -0.447 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -11.946 -4.831 -3.728 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -12.761 -4.578 -2.181 1.00 0.00 H new ATOM 615 N GLN A 45 -8.563 0.935 -2.877 1.00 0.00 N ATOM 616 CA GLN A 45 -8.732 2.279 -3.513 1.00 0.00 C ATOM 617 C GLN A 45 -8.364 3.339 -2.448 1.00 0.00 C ATOM 618 O GLN A 45 -7.722 4.322 -2.736 1.00 0.00 O ATOM 619 CB GLN A 45 -10.195 2.429 -3.960 1.00 0.00 C ATOM 620 CG GLN A 45 -10.583 1.163 -4.759 1.00 0.00 C ATOM 621 CD GLN A 45 -11.848 1.451 -5.519 1.00 0.00 C ATOM 622 OE1 GLN A 45 -12.951 1.498 -5.018 1.00 0.00 O ATOM 623 NE2 GLN A 45 -11.671 1.659 -6.773 1.00 0.00 N ATOM 0 H GLN A 45 -9.439 0.478 -2.623 1.00 0.00 H new ATOM 0 HA GLN A 45 -8.093 2.402 -4.388 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -10.847 2.548 -3.095 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -10.316 3.320 -4.576 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -9.782 0.888 -5.446 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -10.729 0.319 -4.085 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -10.733 1.614 -7.170 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -12.469 1.870 -7.373 1.00 0.00 H new ATOM 632 N THR A 46 -8.750 3.178 -1.216 1.00 0.00 N ATOM 633 CA THR A 46 -8.343 4.245 -0.219 1.00 0.00 C ATOM 634 C THR A 46 -6.803 4.215 -0.123 1.00 0.00 C ATOM 635 O THR A 46 -6.166 5.228 0.068 1.00 0.00 O ATOM 636 CB THR A 46 -8.976 3.981 1.176 1.00 0.00 C ATOM 637 OG1 THR A 46 -9.882 5.075 1.286 1.00 0.00 O ATOM 638 CG2 THR A 46 -8.061 4.286 2.367 1.00 0.00 C ATOM 0 H THR A 46 -9.302 2.401 -0.853 1.00 0.00 H new ATOM 0 HA THR A 46 -8.695 5.222 -0.549 1.00 0.00 H new ATOM 0 HB THR A 46 -9.312 2.945 1.215 1.00 0.00 H new ATOM 0 HG1 THR A 46 -10.356 5.022 2.142 1.00 0.00 H new ATOM 0 HG21 THR A 46 -8.589 4.071 3.296 1.00 0.00 H new ATOM 0 HG22 THR A 46 -7.166 3.666 2.307 1.00 0.00 H new ATOM 0 HG23 THR A 46 -7.776 5.338 2.347 1.00 0.00 H new ATOM 646 N VAL A 47 -6.200 3.058 -0.257 1.00 0.00 N ATOM 647 CA VAL A 47 -4.705 3.010 -0.178 1.00 0.00 C ATOM 648 C VAL A 47 -4.317 3.916 -1.348 1.00 0.00 C ATOM 649 O VAL A 47 -3.489 4.778 -1.172 1.00 0.00 O ATOM 650 CB VAL A 47 -4.111 1.599 -0.431 1.00 0.00 C ATOM 651 CG1 VAL A 47 -3.005 1.619 -1.516 1.00 0.00 C ATOM 652 CG2 VAL A 47 -3.586 1.064 0.867 1.00 0.00 C ATOM 0 H VAL A 47 -6.665 2.164 -0.414 1.00 0.00 H new ATOM 0 HA VAL A 47 -4.341 3.297 0.809 1.00 0.00 H new ATOM 0 HB VAL A 47 -4.897 0.946 -0.811 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -2.618 0.610 -1.660 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -3.422 1.985 -2.454 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -2.195 2.276 -1.198 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -3.164 0.072 0.708 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -2.812 1.730 1.249 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -4.399 1.001 1.590 1.00 0.00 H new ATOM 662 N CYS A 48 -4.894 3.693 -2.514 1.00 0.00 N ATOM 663 CA CYS A 48 -4.527 4.600 -3.645 1.00 0.00 C ATOM 664 C CYS A 48 -4.660 6.045 -3.131 1.00 0.00 C ATOM 665 O CYS A 48 -3.816 6.857 -3.424 1.00 0.00 O ATOM 666 CB CYS A 48 -5.447 4.404 -4.784 1.00 0.00 C ATOM 667 SG CYS A 48 -5.518 5.806 -5.915 1.00 0.00 S ATOM 0 H CYS A 48 -5.570 2.958 -2.721 1.00 0.00 H new ATOM 0 HA CYS A 48 -3.513 4.388 -3.984 1.00 0.00 H new ATOM 0 HB2 CYS A 48 -5.139 3.518 -5.339 1.00 0.00 H new ATOM 0 HB3 CYS A 48 -6.448 4.208 -4.400 1.00 0.00 H new ATOM 672 N ASN A 49 -5.700 6.344 -2.391 1.00 0.00 N ATOM 673 CA ASN A 49 -5.832 7.746 -1.863 1.00 0.00 C ATOM 674 C ASN A 49 -4.528 8.042 -1.056 1.00 0.00 C ATOM 675 O ASN A 49 -3.925 9.078 -1.241 1.00 0.00 O ATOM 676 CB ASN A 49 -7.072 7.868 -0.932 1.00 0.00 C ATOM 677 CG ASN A 49 -8.383 7.610 -1.668 1.00 0.00 C ATOM 678 OD1 ASN A 49 -9.402 8.135 -1.287 1.00 0.00 O ATOM 679 ND2 ASN A 49 -8.504 6.846 -2.699 1.00 0.00 N ATOM 0 H ASN A 49 -6.447 5.700 -2.133 1.00 0.00 H new ATOM 0 HA ASN A 49 -5.966 8.456 -2.679 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -6.976 7.160 -0.109 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -7.096 8.865 -0.493 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -9.417 6.719 -3.135 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -7.687 6.368 -3.078 1.00 0.00 H new ATOM 686 N CYS A 50 -4.131 7.132 -0.196 1.00 0.00 N ATOM 687 CA CYS A 50 -2.874 7.343 0.615 1.00 0.00 C ATOM 688 C CYS A 50 -1.723 7.627 -0.380 1.00 0.00 C ATOM 689 O CYS A 50 -1.034 8.624 -0.318 1.00 0.00 O ATOM 690 CB CYS A 50 -2.495 6.078 1.413 1.00 0.00 C ATOM 691 SG CYS A 50 -3.648 5.245 2.522 1.00 0.00 S ATOM 0 H CYS A 50 -4.617 6.253 -0.017 1.00 0.00 H new ATOM 0 HA CYS A 50 -3.040 8.162 1.314 1.00 0.00 H new ATOM 0 HB2 CYS A 50 -2.173 5.335 0.683 1.00 0.00 H new ATOM 0 HB3 CYS A 50 -1.621 6.337 2.011 1.00 0.00 H new ATOM 696 N LEU A 51 -1.545 6.698 -1.286 1.00 0.00 N ATOM 697 CA LEU A 51 -0.478 6.812 -2.342 1.00 0.00 C ATOM 698 C LEU A 51 -0.543 8.244 -2.875 1.00 0.00 C ATOM 699 O LEU A 51 0.419 8.966 -2.826 1.00 0.00 O ATOM 700 CB LEU A 51 -0.750 5.823 -3.484 1.00 0.00 C ATOM 701 CG LEU A 51 -0.645 4.322 -3.114 1.00 0.00 C ATOM 702 CD1 LEU A 51 0.442 3.705 -3.968 1.00 0.00 C ATOM 703 CD2 LEU A 51 -0.292 4.069 -1.652 1.00 0.00 C ATOM 0 H LEU A 51 -2.103 5.846 -1.343 1.00 0.00 H new ATOM 0 HA LEU A 51 0.504 6.583 -1.928 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -1.750 6.013 -3.874 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -0.049 6.029 -4.293 1.00 0.00 H new ATOM 0 HG LEU A 51 -1.627 3.882 -3.287 1.00 0.00 H new ATOM 0 HD11 LEU A 51 0.537 2.646 -3.727 1.00 0.00 H new ATOM 0 HD12 LEU A 51 0.184 3.816 -5.021 1.00 0.00 H new ATOM 0 HD13 LEU A 51 1.389 4.208 -3.771 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -0.237 2.995 -1.471 1.00 0.00 H new ATOM 0 HD22 LEU A 51 0.672 4.525 -1.426 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -1.058 4.506 -1.012 1.00 0.00 H new ATOM 715 N LYS A 52 -1.688 8.599 -3.381 1.00 0.00 N ATOM 716 CA LYS A 52 -1.957 9.960 -3.935 1.00 0.00 C ATOM 717 C LYS A 52 -1.433 11.063 -2.992 1.00 0.00 C ATOM 718 O LYS A 52 -0.482 11.762 -3.294 1.00 0.00 O ATOM 719 CB LYS A 52 -3.479 10.068 -4.111 1.00 0.00 C ATOM 720 CG LYS A 52 -3.928 9.324 -5.352 1.00 0.00 C ATOM 721 CD LYS A 52 -3.823 10.321 -6.508 1.00 0.00 C ATOM 722 CE LYS A 52 -3.965 9.594 -7.822 1.00 0.00 C ATOM 723 NZ LYS A 52 -5.265 8.862 -7.775 1.00 0.00 N ATOM 0 H LYS A 52 -2.490 7.971 -3.437 1.00 0.00 H new ATOM 0 HA LYS A 52 -1.441 10.098 -4.885 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -3.981 9.660 -3.234 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -3.768 11.116 -4.185 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -3.300 8.452 -5.532 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -4.950 8.963 -5.241 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -4.599 11.081 -6.417 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -2.864 10.838 -6.469 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -3.947 10.296 -8.656 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -3.137 8.901 -7.971 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -5.780 9.012 -8.666 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -5.087 7.846 -7.645 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -5.835 9.218 -6.982 1.00 0.00 H new ATOM 737 N GLY A 53 -2.093 11.120 -1.859 1.00 0.00 N ATOM 738 CA GLY A 53 -1.778 12.121 -0.790 1.00 0.00 C ATOM 739 C GLY A 53 -0.341 12.128 -0.340 1.00 0.00 C ATOM 740 O GLY A 53 0.150 13.160 0.063 1.00 0.00 O ATOM 0 H GLY A 53 -2.862 10.493 -1.625 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -2.035 13.115 -1.155 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -2.414 11.924 0.073 1.00 0.00 H new ATOM 744 N ILE A 54 0.340 11.019 -0.385 1.00 0.00 N ATOM 745 CA ILE A 54 1.762 11.078 0.059 1.00 0.00 C ATOM 746 C ILE A 54 2.627 11.397 -1.154 1.00 0.00 C ATOM 747 O ILE A 54 3.474 12.274 -1.104 1.00 0.00 O ATOM 748 CB ILE A 54 2.108 9.737 0.679 1.00 0.00 C ATOM 749 CG1 ILE A 54 3.310 10.057 1.599 1.00 0.00 C ATOM 750 CG2 ILE A 54 2.438 8.613 -0.340 1.00 0.00 C ATOM 751 CD1 ILE A 54 3.679 8.871 2.445 1.00 0.00 C ATOM 0 H ILE A 54 -0.005 10.110 -0.695 1.00 0.00 H new ATOM 0 HA ILE A 54 1.934 11.855 0.804 1.00 0.00 H new ATOM 0 HB ILE A 54 1.250 9.324 1.209 1.00 0.00 H new ATOM 0 HG12 ILE A 54 4.166 10.355 0.993 1.00 0.00 H new ATOM 0 HG13 ILE A 54 3.064 10.903 2.241 1.00 0.00 H new ATOM 0 HG21 ILE A 54 2.672 7.693 0.196 1.00 0.00 H new ATOM 0 HG22 ILE A 54 1.578 8.446 -0.989 1.00 0.00 H new ATOM 0 HG23 ILE A 54 3.296 8.910 -0.944 1.00 0.00 H new ATOM 0 HD11 ILE A 54 4.527 9.127 3.081 1.00 0.00 H new ATOM 0 HD12 ILE A 54 2.830 8.590 3.068 1.00 0.00 H new ATOM 0 HD13 ILE A 54 3.948 8.034 1.801 1.00 0.00 H new ATOM 763 N ALA A 55 2.400 10.670 -2.228 1.00 0.00 N ATOM 764 CA ALA A 55 3.151 10.845 -3.541 1.00 0.00 C ATOM 765 C ALA A 55 3.290 12.363 -3.667 1.00 0.00 C ATOM 766 O ALA A 55 4.329 12.911 -3.969 1.00 0.00 O ATOM 767 CB ALA A 55 2.304 10.226 -4.659 1.00 0.00 C ATOM 0 H ALA A 55 1.698 9.930 -2.258 1.00 0.00 H new ATOM 0 HA ALA A 55 4.126 10.361 -3.593 1.00 0.00 H new ATOM 0 HB1 ALA A 55 2.821 10.339 -5.612 1.00 0.00 H new ATOM 0 HB2 ALA A 55 2.148 9.167 -4.454 1.00 0.00 H new ATOM 0 HB3 ALA A 55 1.340 10.732 -4.707 1.00 0.00 H new ATOM 773 N ARG A 56 2.141 12.935 -3.401 1.00 0.00 N ATOM 774 CA ARG A 56 1.826 14.392 -3.372 1.00 0.00 C ATOM 775 C ARG A 56 3.085 15.294 -3.295 1.00 0.00 C ATOM 776 O ARG A 56 3.185 16.306 -3.972 1.00 0.00 O ATOM 777 CB ARG A 56 0.919 14.498 -2.171 1.00 0.00 C ATOM 778 CG ARG A 56 0.429 15.878 -1.735 1.00 0.00 C ATOM 779 CD ARG A 56 -0.396 16.510 -2.823 1.00 0.00 C ATOM 780 NE ARG A 56 0.594 17.077 -3.812 1.00 0.00 N ATOM 781 CZ ARG A 56 0.682 18.312 -4.072 1.00 0.00 C ATOM 782 NH1 ARG A 56 -0.390 18.999 -4.027 1.00 0.00 N ATOM 783 NH2 ARG A 56 1.857 18.711 -4.346 1.00 0.00 N ATOM 0 H ARG A 56 1.320 12.373 -3.178 1.00 0.00 H new ATOM 0 HA ARG A 56 1.358 14.753 -4.288 1.00 0.00 H new ATOM 0 HB2 ARG A 56 0.041 13.883 -2.366 1.00 0.00 H new ATOM 0 HB3 ARG A 56 1.440 14.051 -1.324 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -0.164 15.789 -0.825 1.00 0.00 H new ATOM 0 HG3 ARG A 56 1.281 16.516 -1.499 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -1.046 15.775 -3.298 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -1.040 17.293 -2.421 1.00 0.00 H new ATOM 0 HE ARG A 56 1.222 16.433 -4.294 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -1.274 18.550 -3.788 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -0.364 19.998 -4.230 1.00 0.00 H new ATOM 0 HH21 ARG A 56 2.634 18.050 -4.343 1.00 0.00 H new ATOM 0 HH22 ARG A 56 2.023 19.692 -4.569 1.00 0.00 H new ATOM 797 N GLY A 57 3.960 14.858 -2.417 1.00 0.00 N ATOM 798 CA GLY A 57 5.297 15.482 -2.090 1.00 0.00 C ATOM 799 C GLY A 57 6.430 14.426 -1.911 1.00 0.00 C ATOM 800 O GLY A 57 7.588 14.690 -2.155 1.00 0.00 O ATOM 0 H GLY A 57 3.784 14.019 -1.864 1.00 0.00 H new ATOM 0 HA2 GLY A 57 5.574 16.174 -2.885 1.00 0.00 H new ATOM 0 HA3 GLY A 57 5.205 16.068 -1.176 1.00 0.00 H new ATOM 804 N ILE A 58 6.059 13.248 -1.490 1.00 0.00 N ATOM 805 CA ILE A 58 6.955 12.071 -1.228 1.00 0.00 C ATOM 806 C ILE A 58 8.469 12.045 -1.205 1.00 0.00 C ATOM 807 O ILE A 58 8.961 11.728 -0.142 1.00 0.00 O ATOM 808 CB ILE A 58 6.547 10.873 -2.202 1.00 0.00 C ATOM 809 CG1 ILE A 58 5.677 9.912 -1.354 1.00 0.00 C ATOM 810 CG2 ILE A 58 7.756 10.083 -2.886 1.00 0.00 C ATOM 811 CD1 ILE A 58 5.836 8.457 -1.778 1.00 0.00 C ATOM 0 H ILE A 58 5.080 13.035 -1.300 1.00 0.00 H new ATOM 0 HA ILE A 58 6.749 12.049 -0.158 1.00 0.00 H new ATOM 0 HB ILE A 58 6.020 11.300 -3.055 1.00 0.00 H new ATOM 0 HG12 ILE A 58 5.948 10.013 -0.303 1.00 0.00 H new ATOM 0 HG13 ILE A 58 4.630 10.201 -1.442 1.00 0.00 H new ATOM 0 HG21 ILE A 58 7.360 9.293 -3.524 1.00 0.00 H new ATOM 0 HG22 ILE A 58 8.348 10.773 -3.487 1.00 0.00 H new ATOM 0 HG23 ILE A 58 8.386 9.643 -2.113 1.00 0.00 H new ATOM 0 HD11 ILE A 58 5.205 7.825 -1.153 1.00 0.00 H new ATOM 0 HD12 ILE A 58 5.539 8.347 -2.821 1.00 0.00 H new ATOM 0 HD13 ILE A 58 6.878 8.157 -1.664 1.00 0.00 H new ATOM 823 N HIS A 59 9.127 12.365 -2.295 1.00 0.00 N ATOM 824 CA HIS A 59 10.637 12.364 -2.460 1.00 0.00 C ATOM 825 C HIS A 59 11.062 11.720 -3.822 1.00 0.00 C ATOM 826 O HIS A 59 11.048 12.412 -4.818 1.00 0.00 O ATOM 827 CB HIS A 59 11.330 11.544 -1.312 1.00 0.00 C ATOM 828 CG HIS A 59 11.685 12.523 -0.182 1.00 0.00 C ATOM 829 ND1 HIS A 59 10.847 13.252 0.469 1.00 0.00 N ATOM 830 CD2 HIS A 59 12.908 12.854 0.370 1.00 0.00 C ATOM 831 CE1 HIS A 59 11.467 13.976 1.349 1.00 0.00 C ATOM 832 NE2 HIS A 59 12.758 13.758 1.318 1.00 0.00 N ATOM 0 H HIS A 59 8.645 12.650 -3.147 1.00 0.00 H new ATOM 0 HA HIS A 59 10.952 13.407 -2.425 1.00 0.00 H new ATOM 0 HB2 HIS A 59 10.664 10.763 -0.945 1.00 0.00 H new ATOM 0 HB3 HIS A 59 12.227 11.049 -1.684 1.00 0.00 H new ATOM 0 HD1 HIS A 59 9.839 13.259 0.315 1.00 0.00 H new ATOM 0 HD2 HIS A 59 13.855 12.431 0.067 1.00 0.00 H new ATOM 0 HE1 HIS A 59 10.981 14.669 2.020 1.00 0.00 H new ATOM 840 N ASN A 60 11.418 10.448 -3.839 1.00 0.00 N ATOM 841 CA ASN A 60 11.839 9.780 -5.124 1.00 0.00 C ATOM 842 C ASN A 60 11.026 8.523 -5.496 1.00 0.00 C ATOM 843 O ASN A 60 11.549 7.428 -5.481 1.00 0.00 O ATOM 844 CB ASN A 60 13.337 9.421 -4.992 1.00 0.00 C ATOM 845 CG ASN A 60 14.199 10.648 -5.195 1.00 0.00 C ATOM 846 OD1 ASN A 60 14.088 11.654 -4.539 1.00 0.00 O ATOM 847 ND2 ASN A 60 15.107 10.639 -6.110 1.00 0.00 N ATOM 0 H ASN A 60 11.435 9.844 -3.017 1.00 0.00 H new ATOM 0 HA ASN A 60 11.650 10.484 -5.935 1.00 0.00 H new ATOM 0 HB2 ASN A 60 13.529 8.994 -4.008 1.00 0.00 H new ATOM 0 HB3 ASN A 60 13.600 8.660 -5.726 1.00 0.00 H new ATOM 0 HD21 ASN A 60 15.694 11.460 -6.254 1.00 0.00 H new ATOM 0 HD22 ASN A 60 15.238 9.810 -6.690 1.00 0.00 H new ATOM 854 N LEU A 61 9.773 8.694 -5.825 1.00 0.00 N ATOM 855 CA LEU A 61 8.945 7.497 -6.194 1.00 0.00 C ATOM 856 C LEU A 61 9.647 6.628 -7.270 1.00 0.00 C ATOM 857 O LEU A 61 9.561 6.849 -8.464 1.00 0.00 O ATOM 858 CB LEU A 61 7.563 7.992 -6.689 1.00 0.00 C ATOM 859 CG LEU A 61 6.673 6.789 -7.149 1.00 0.00 C ATOM 860 CD1 LEU A 61 6.749 5.600 -6.163 1.00 0.00 C ATOM 861 CD2 LEU A 61 5.210 7.258 -7.167 1.00 0.00 C ATOM 0 H LEU A 61 9.289 9.592 -5.856 1.00 0.00 H new ATOM 0 HA LEU A 61 8.817 6.862 -5.318 1.00 0.00 H new ATOM 0 HB2 LEU A 61 7.060 8.538 -5.891 1.00 0.00 H new ATOM 0 HB3 LEU A 61 7.696 8.689 -7.517 1.00 0.00 H new ATOM 0 HG LEU A 61 7.029 6.465 -8.127 1.00 0.00 H new ATOM 0 HD11 LEU A 61 6.116 4.788 -6.522 1.00 0.00 H new ATOM 0 HD12 LEU A 61 7.779 5.252 -6.091 1.00 0.00 H new ATOM 0 HD13 LEU A 61 6.405 5.920 -5.180 1.00 0.00 H new ATOM 0 HD21 LEU A 61 4.568 6.436 -7.485 1.00 0.00 H new ATOM 0 HD22 LEU A 61 4.919 7.580 -6.167 1.00 0.00 H new ATOM 0 HD23 LEU A 61 5.104 8.091 -7.862 1.00 0.00 H new ATOM 873 N ASN A 62 10.325 5.644 -6.763 1.00 0.00 N ATOM 874 CA ASN A 62 11.111 4.643 -7.517 1.00 0.00 C ATOM 875 C ASN A 62 10.137 3.593 -8.069 1.00 0.00 C ATOM 876 O ASN A 62 10.228 2.409 -7.796 1.00 0.00 O ATOM 877 CB ASN A 62 12.131 4.130 -6.460 1.00 0.00 C ATOM 878 CG ASN A 62 13.223 3.243 -7.023 1.00 0.00 C ATOM 879 OD1 ASN A 62 14.188 2.934 -6.362 1.00 0.00 O ATOM 880 ND2 ASN A 62 13.150 2.788 -8.228 1.00 0.00 N ATOM 0 H ASN A 62 10.364 5.486 -5.756 1.00 0.00 H new ATOM 0 HA ASN A 62 11.651 5.000 -8.394 1.00 0.00 H new ATOM 0 HB2 ASN A 62 12.593 4.988 -5.972 1.00 0.00 H new ATOM 0 HB3 ASN A 62 11.592 3.578 -5.691 1.00 0.00 H new ATOM 0 HD21 ASN A 62 13.891 2.189 -8.593 1.00 0.00 H new ATOM 0 HD22 ASN A 62 12.351 3.027 -8.816 1.00 0.00 H new ATOM 887 N LEU A 63 9.212 4.109 -8.836 1.00 0.00 N ATOM 888 CA LEU A 63 8.163 3.264 -9.474 1.00 0.00 C ATOM 889 C LEU A 63 8.693 1.866 -9.827 1.00 0.00 C ATOM 890 O LEU A 63 8.132 0.887 -9.408 1.00 0.00 O ATOM 891 CB LEU A 63 7.672 4.040 -10.720 1.00 0.00 C ATOM 892 CG LEU A 63 6.560 3.324 -11.543 1.00 0.00 C ATOM 893 CD1 LEU A 63 7.126 2.210 -12.435 1.00 0.00 C ATOM 894 CD2 LEU A 63 5.518 2.677 -10.609 1.00 0.00 C ATOM 0 H LEU A 63 9.140 5.104 -9.051 1.00 0.00 H new ATOM 0 HA LEU A 63 7.335 3.085 -8.788 1.00 0.00 H new ATOM 0 HB2 LEU A 63 7.298 5.012 -10.400 1.00 0.00 H new ATOM 0 HB3 LEU A 63 8.524 4.226 -11.373 1.00 0.00 H new ATOM 0 HG LEU A 63 6.103 4.094 -12.164 1.00 0.00 H new ATOM 0 HD11 LEU A 63 6.314 1.740 -12.989 1.00 0.00 H new ATOM 0 HD12 LEU A 63 7.845 2.635 -13.135 1.00 0.00 H new ATOM 0 HD13 LEU A 63 7.622 1.463 -11.814 1.00 0.00 H new ATOM 0 HD21 LEU A 63 4.751 2.183 -11.206 1.00 0.00 H new ATOM 0 HD22 LEU A 63 6.009 1.943 -9.969 1.00 0.00 H new ATOM 0 HD23 LEU A 63 5.056 3.447 -9.990 1.00 0.00 H new ATOM 906 N ASN A 64 9.754 1.798 -10.587 1.00 0.00 N ATOM 907 CA ASN A 64 10.373 0.474 -10.993 1.00 0.00 C ATOM 908 C ASN A 64 10.406 -0.533 -9.807 1.00 0.00 C ATOM 909 O ASN A 64 10.020 -1.679 -9.907 1.00 0.00 O ATOM 910 CB ASN A 64 11.823 0.721 -11.482 1.00 0.00 C ATOM 911 CG ASN A 64 11.881 2.022 -12.251 1.00 0.00 C ATOM 912 OD1 ASN A 64 11.845 2.082 -13.454 1.00 0.00 O ATOM 913 ND2 ASN A 64 11.962 3.121 -11.572 1.00 0.00 N ATOM 0 H ASN A 64 10.237 2.616 -10.958 1.00 0.00 H new ATOM 0 HA ASN A 64 9.763 0.045 -11.788 1.00 0.00 H new ATOM 0 HB2 ASN A 64 12.504 0.758 -10.631 1.00 0.00 H new ATOM 0 HB3 ASN A 64 12.150 -0.103 -12.116 1.00 0.00 H new ATOM 0 HD21 ASN A 64 11.994 4.018 -12.056 1.00 0.00 H new ATOM 0 HD22 ASN A 64 11.994 3.090 -10.553 1.00 0.00 H new ATOM 920 N ASN A 65 10.865 -0.024 -8.695 1.00 0.00 N ATOM 921 CA ASN A 65 10.983 -0.824 -7.447 1.00 0.00 C ATOM 922 C ASN A 65 9.579 -1.093 -6.904 1.00 0.00 C ATOM 923 O ASN A 65 9.256 -2.214 -6.548 1.00 0.00 O ATOM 924 CB ASN A 65 11.931 0.029 -6.506 1.00 0.00 C ATOM 925 CG ASN A 65 11.335 0.520 -5.188 1.00 0.00 C ATOM 926 OD1 ASN A 65 10.187 0.376 -4.851 1.00 0.00 O ATOM 927 ND2 ASN A 65 12.037 1.144 -4.323 1.00 0.00 N ATOM 0 H ASN A 65 11.172 0.944 -8.601 1.00 0.00 H new ATOM 0 HA ASN A 65 11.422 -1.814 -7.568 1.00 0.00 H new ATOM 0 HB2 ASN A 65 12.812 -0.571 -6.277 1.00 0.00 H new ATOM 0 HB3 ASN A 65 12.274 0.898 -7.068 1.00 0.00 H new ATOM 0 HD21 ASN A 65 11.610 1.463 -3.453 1.00 0.00 H new ATOM 0 HD22 ASN A 65 13.025 1.324 -4.502 1.00 0.00 H new ATOM 934 N ALA A 66 8.781 -0.063 -6.861 1.00 0.00 N ATOM 935 CA ALA A 66 7.395 -0.259 -6.340 1.00 0.00 C ATOM 936 C ALA A 66 6.755 -1.417 -7.156 1.00 0.00 C ATOM 937 O ALA A 66 6.255 -2.383 -6.619 1.00 0.00 O ATOM 938 CB ALA A 66 6.644 1.061 -6.522 1.00 0.00 C ATOM 0 H ALA A 66 9.017 0.885 -7.155 1.00 0.00 H new ATOM 0 HA ALA A 66 7.368 -0.524 -5.283 1.00 0.00 H new ATOM 0 HB1 ALA A 66 5.625 0.954 -6.151 1.00 0.00 H new ATOM 0 HB2 ALA A 66 7.152 1.848 -5.965 1.00 0.00 H new ATOM 0 HB3 ALA A 66 6.619 1.323 -7.580 1.00 0.00 H new ATOM 944 N ALA A 67 6.825 -1.274 -8.456 1.00 0.00 N ATOM 945 CA ALA A 67 6.280 -2.273 -9.424 1.00 0.00 C ATOM 946 C ALA A 67 6.997 -3.626 -9.302 1.00 0.00 C ATOM 947 O ALA A 67 6.570 -4.607 -9.871 1.00 0.00 O ATOM 948 CB ALA A 67 6.430 -1.688 -10.848 1.00 0.00 C ATOM 0 H ALA A 67 7.259 -0.467 -8.904 1.00 0.00 H new ATOM 0 HA ALA A 67 5.229 -2.461 -9.205 1.00 0.00 H new ATOM 0 HB1 ALA A 67 6.039 -2.399 -11.576 1.00 0.00 H new ATOM 0 HB2 ALA A 67 5.873 -0.753 -10.918 1.00 0.00 H new ATOM 0 HB3 ALA A 67 7.483 -1.499 -11.055 1.00 0.00 H new ATOM 954 N SER A 68 8.059 -3.640 -8.558 1.00 0.00 N ATOM 955 CA SER A 68 8.844 -4.882 -8.343 1.00 0.00 C ATOM 956 C SER A 68 8.339 -5.513 -7.052 1.00 0.00 C ATOM 957 O SER A 68 8.486 -6.715 -6.903 1.00 0.00 O ATOM 958 CB SER A 68 10.328 -4.529 -8.227 1.00 0.00 C ATOM 959 OG SER A 68 10.957 -5.729 -7.793 1.00 0.00 O ATOM 0 H SER A 68 8.427 -2.820 -8.076 1.00 0.00 H new ATOM 0 HA SER A 68 8.727 -5.578 -9.173 1.00 0.00 H new ATOM 0 HB2 SER A 68 10.731 -4.195 -9.183 1.00 0.00 H new ATOM 0 HB3 SER A 68 10.487 -3.720 -7.515 1.00 0.00 H new ATOM 0 HG SER A 68 11.920 -5.577 -7.697 1.00 0.00 H new ATOM 965 N ILE A 69 7.767 -4.713 -6.173 1.00 0.00 N ATOM 966 CA ILE A 69 7.259 -5.310 -4.893 1.00 0.00 C ATOM 967 C ILE A 69 6.329 -6.486 -5.193 1.00 0.00 C ATOM 968 O ILE A 69 6.618 -7.567 -4.730 1.00 0.00 O ATOM 969 CB ILE A 69 6.485 -4.231 -4.017 1.00 0.00 C ATOM 970 CG1 ILE A 69 7.389 -3.386 -3.081 1.00 0.00 C ATOM 971 CG2 ILE A 69 5.382 -4.894 -3.128 1.00 0.00 C ATOM 972 CD1 ILE A 69 8.220 -4.286 -2.170 1.00 0.00 C ATOM 0 H ILE A 69 7.634 -3.708 -6.282 1.00 0.00 H new ATOM 0 HA ILE A 69 8.121 -5.660 -4.325 1.00 0.00 H new ATOM 0 HB ILE A 69 6.049 -3.564 -4.760 1.00 0.00 H new ATOM 0 HG12 ILE A 69 8.049 -2.756 -3.677 1.00 0.00 H new ATOM 0 HG13 ILE A 69 6.773 -2.720 -2.477 1.00 0.00 H new ATOM 0 HG21 ILE A 69 4.875 -4.126 -2.544 1.00 0.00 H new ATOM 0 HG22 ILE A 69 4.658 -5.402 -3.765 1.00 0.00 H new ATOM 0 HG23 ILE A 69 5.843 -5.616 -2.454 1.00 0.00 H new ATOM 0 HD11 ILE A 69 8.846 -3.671 -1.523 1.00 0.00 H new ATOM 0 HD12 ILE A 69 7.556 -4.897 -1.558 1.00 0.00 H new ATOM 0 HD13 ILE A 69 8.852 -4.934 -2.777 1.00 0.00 H new ATOM 984 N PRO A 70 5.256 -6.334 -5.942 1.00 0.00 N ATOM 985 CA PRO A 70 4.224 -7.407 -6.019 1.00 0.00 C ATOM 986 C PRO A 70 4.848 -8.744 -6.348 1.00 0.00 C ATOM 987 O PRO A 70 4.503 -9.744 -5.743 1.00 0.00 O ATOM 988 CB PRO A 70 3.239 -6.893 -7.070 1.00 0.00 C ATOM 989 CG PRO A 70 3.393 -5.362 -6.917 1.00 0.00 C ATOM 990 CD PRO A 70 4.903 -5.164 -6.786 1.00 0.00 C ATOM 0 HA PRO A 70 3.714 -7.597 -5.075 1.00 0.00 H new ATOM 0 HB2 PRO A 70 3.496 -7.233 -8.073 1.00 0.00 H new ATOM 0 HB3 PRO A 70 2.219 -7.224 -6.873 1.00 0.00 H new ATOM 0 HG2 PRO A 70 2.992 -4.831 -7.780 1.00 0.00 H new ATOM 0 HG3 PRO A 70 2.862 -4.991 -6.040 1.00 0.00 H new ATOM 0 HD2 PRO A 70 5.409 -5.181 -7.751 1.00 0.00 H new ATOM 0 HD3 PRO A 70 5.157 -4.217 -6.310 1.00 0.00 H new ATOM 998 N SER A 71 5.750 -8.701 -7.287 1.00 0.00 N ATOM 999 CA SER A 71 6.458 -9.932 -7.728 1.00 0.00 C ATOM 1000 C SER A 71 7.371 -10.424 -6.596 1.00 0.00 C ATOM 1001 O SER A 71 7.181 -11.483 -6.021 1.00 0.00 O ATOM 1002 CB SER A 71 7.278 -9.573 -8.986 1.00 0.00 C ATOM 1003 OG SER A 71 6.299 -9.059 -9.885 1.00 0.00 O ATOM 0 H SER A 71 6.030 -7.850 -7.775 1.00 0.00 H new ATOM 0 HA SER A 71 5.756 -10.732 -7.965 1.00 0.00 H new ATOM 0 HB2 SER A 71 8.048 -8.834 -8.766 1.00 0.00 H new ATOM 0 HB3 SER A 71 7.783 -10.446 -9.399 1.00 0.00 H new ATOM 0 HG SER A 71 6.731 -8.798 -10.725 1.00 0.00 H new ATOM 1009 N LYS A 72 8.335 -9.590 -6.285 1.00 0.00 N ATOM 1010 CA LYS A 72 9.342 -9.889 -5.220 1.00 0.00 C ATOM 1011 C LYS A 72 8.700 -10.372 -3.903 1.00 0.00 C ATOM 1012 O LYS A 72 9.286 -11.141 -3.159 1.00 0.00 O ATOM 1013 CB LYS A 72 10.146 -8.581 -5.078 1.00 0.00 C ATOM 1014 CG LYS A 72 11.425 -8.768 -4.218 1.00 0.00 C ATOM 1015 CD LYS A 72 11.343 -7.831 -2.984 1.00 0.00 C ATOM 1016 CE LYS A 72 10.296 -8.326 -1.992 1.00 0.00 C ATOM 1017 NZ LYS A 72 10.713 -9.668 -1.476 1.00 0.00 N ATOM 0 H LYS A 72 8.468 -8.687 -6.741 1.00 0.00 H new ATOM 0 HA LYS A 72 9.988 -10.725 -5.486 1.00 0.00 H new ATOM 0 HB2 LYS A 72 10.426 -8.219 -6.068 1.00 0.00 H new ATOM 0 HB3 LYS A 72 9.515 -7.816 -4.626 1.00 0.00 H new ATOM 0 HG2 LYS A 72 11.515 -9.806 -3.898 1.00 0.00 H new ATOM 0 HG3 LYS A 72 12.312 -8.538 -4.808 1.00 0.00 H new ATOM 0 HD2 LYS A 72 12.316 -7.780 -2.496 1.00 0.00 H new ATOM 0 HD3 LYS A 72 11.095 -6.820 -3.306 1.00 0.00 H new ATOM 0 HE2 LYS A 72 10.194 -7.620 -1.168 1.00 0.00 H new ATOM 0 HE3 LYS A 72 9.321 -8.394 -2.475 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 10.233 -9.857 -0.573 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 10.453 -10.401 -2.166 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 11.743 -9.679 -1.330 1.00 0.00 H new ATOM 1031 N CYS A 73 7.519 -9.871 -3.664 1.00 0.00 N ATOM 1032 CA CYS A 73 6.730 -10.214 -2.447 1.00 0.00 C ATOM 1033 C CYS A 73 5.548 -11.169 -2.649 1.00 0.00 C ATOM 1034 O CYS A 73 4.631 -11.144 -1.855 1.00 0.00 O ATOM 1035 CB CYS A 73 6.243 -8.898 -1.852 1.00 0.00 C ATOM 1036 SG CYS A 73 7.534 -7.869 -1.119 1.00 0.00 S ATOM 0 H CYS A 73 7.052 -9.213 -4.287 1.00 0.00 H new ATOM 0 HA CYS A 73 7.394 -10.771 -1.786 1.00 0.00 H new ATOM 0 HB2 CYS A 73 5.743 -8.326 -2.634 1.00 0.00 H new ATOM 0 HB3 CYS A 73 5.496 -9.116 -1.089 1.00 0.00 H new ATOM 1041 N ASN A 74 5.603 -11.962 -3.686 1.00 0.00 N ATOM 1042 CA ASN A 74 4.544 -12.976 -4.038 1.00 0.00 C ATOM 1043 C ASN A 74 3.164 -12.656 -3.403 1.00 0.00 C ATOM 1044 O ASN A 74 2.599 -13.394 -2.621 1.00 0.00 O ATOM 1045 CB ASN A 74 5.119 -14.351 -3.576 1.00 0.00 C ATOM 1046 CG ASN A 74 4.305 -15.504 -4.145 1.00 0.00 C ATOM 1047 OD1 ASN A 74 4.092 -15.611 -5.330 1.00 0.00 O ATOM 1048 ND2 ASN A 74 3.820 -16.408 -3.365 1.00 0.00 N ATOM 0 H ASN A 74 6.382 -11.951 -4.344 1.00 0.00 H new ATOM 0 HA ASN A 74 4.337 -12.973 -5.108 1.00 0.00 H new ATOM 0 HB2 ASN A 74 6.157 -14.441 -3.897 1.00 0.00 H new ATOM 0 HB3 ASN A 74 5.117 -14.402 -2.487 1.00 0.00 H new ATOM 0 HD21 ASN A 74 3.278 -17.179 -3.754 1.00 0.00 H new ATOM 0 HD22 ASN A 74 3.978 -16.352 -2.359 1.00 0.00 H new ATOM 1055 N VAL A 75 2.692 -11.506 -3.796 1.00 0.00 N ATOM 1056 CA VAL A 75 1.364 -10.993 -3.306 1.00 0.00 C ATOM 1057 C VAL A 75 0.340 -10.883 -4.435 1.00 0.00 C ATOM 1058 O VAL A 75 -0.737 -10.393 -4.188 1.00 0.00 O ATOM 1059 CB VAL A 75 1.611 -9.590 -2.593 1.00 0.00 C ATOM 1060 CG1 VAL A 75 2.430 -8.752 -3.549 1.00 0.00 C ATOM 1061 CG2 VAL A 75 0.395 -8.738 -2.287 1.00 0.00 C ATOM 0 H VAL A 75 3.172 -10.884 -4.446 1.00 0.00 H new ATOM 0 HA VAL A 75 0.940 -11.700 -2.593 1.00 0.00 H new ATOM 0 HB VAL A 75 2.064 -9.847 -1.636 1.00 0.00 H new ATOM 0 HG11 VAL A 75 2.625 -7.777 -3.103 1.00 0.00 H new ATOM 0 HG12 VAL A 75 3.376 -9.253 -3.754 1.00 0.00 H new ATOM 0 HG13 VAL A 75 1.880 -8.621 -4.481 1.00 0.00 H new ATOM 0 HG21 VAL A 75 0.711 -7.814 -1.803 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -0.127 -8.502 -3.215 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -0.275 -9.285 -1.623 1.00 0.00 H new ATOM 1071 N ASN A 76 0.655 -11.343 -5.622 1.00 0.00 N ATOM 1072 CA ASN A 76 -0.293 -11.288 -6.809 1.00 0.00 C ATOM 1073 C ASN A 76 -1.644 -10.546 -6.601 1.00 0.00 C ATOM 1074 O ASN A 76 -2.664 -11.132 -6.300 1.00 0.00 O ATOM 1075 CB ASN A 76 -0.543 -12.740 -7.229 1.00 0.00 C ATOM 1076 CG ASN A 76 -1.125 -13.602 -6.105 1.00 0.00 C ATOM 1077 OD1 ASN A 76 -1.255 -14.791 -6.254 1.00 0.00 O ATOM 1078 ND2 ASN A 76 -1.507 -13.143 -4.961 1.00 0.00 N ATOM 0 H ASN A 76 1.556 -11.770 -5.835 1.00 0.00 H new ATOM 0 HA ASN A 76 0.194 -10.683 -7.574 1.00 0.00 H new ATOM 0 HB2 ASN A 76 -1.226 -12.753 -8.079 1.00 0.00 H new ATOM 0 HB3 ASN A 76 0.395 -13.180 -7.567 1.00 0.00 H new ATOM 0 HD21 ASN A 76 -1.887 -13.777 -4.258 1.00 0.00 H new ATOM 0 HD22 ASN A 76 -1.428 -12.146 -4.759 1.00 0.00 H new ATOM 1085 N VAL A 77 -1.591 -9.262 -6.774 1.00 0.00 N ATOM 1086 CA VAL A 77 -2.802 -8.402 -6.600 1.00 0.00 C ATOM 1087 C VAL A 77 -3.656 -8.142 -7.848 1.00 0.00 C ATOM 1088 O VAL A 77 -3.158 -7.801 -8.904 1.00 0.00 O ATOM 1089 CB VAL A 77 -2.392 -7.033 -6.079 1.00 0.00 C ATOM 1090 CG1 VAL A 77 -1.992 -7.054 -4.655 1.00 0.00 C ATOM 1091 CG2 VAL A 77 -1.148 -6.491 -6.863 1.00 0.00 C ATOM 0 H VAL A 77 -0.745 -8.755 -7.034 1.00 0.00 H new ATOM 0 HA VAL A 77 -3.416 -8.982 -5.911 1.00 0.00 H new ATOM 0 HB VAL A 77 -3.272 -6.404 -6.212 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -1.710 -6.049 -4.341 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -2.827 -7.403 -4.048 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -1.143 -7.726 -4.525 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -0.872 -5.511 -6.474 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -0.312 -7.179 -6.739 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -1.394 -6.405 -7.921 1.00 0.00 H new ATOM 1101 N PRO A 78 -4.941 -8.306 -7.657 1.00 0.00 N ATOM 1102 CA PRO A 78 -5.982 -7.280 -7.983 1.00 0.00 C ATOM 1103 C PRO A 78 -5.592 -5.777 -7.830 1.00 0.00 C ATOM 1104 O PRO A 78 -6.370 -4.978 -7.340 1.00 0.00 O ATOM 1105 CB PRO A 78 -7.173 -7.737 -7.079 1.00 0.00 C ATOM 1106 CG PRO A 78 -6.564 -8.840 -6.142 1.00 0.00 C ATOM 1107 CD PRO A 78 -5.561 -9.522 -7.068 1.00 0.00 C ATOM 0 HA PRO A 78 -6.201 -7.263 -9.051 1.00 0.00 H new ATOM 0 HB2 PRO A 78 -7.574 -6.904 -6.501 1.00 0.00 H new ATOM 0 HB3 PRO A 78 -7.994 -8.134 -7.676 1.00 0.00 H new ATOM 0 HG2 PRO A 78 -6.082 -8.409 -5.264 1.00 0.00 H new ATOM 0 HG3 PRO A 78 -7.323 -9.534 -5.781 1.00 0.00 H new ATOM 0 HD2 PRO A 78 -4.845 -10.144 -6.531 1.00 0.00 H new ATOM 0 HD3 PRO A 78 -6.038 -10.157 -7.814 1.00 0.00 H new ATOM 1115 N TYR A 79 -4.414 -5.388 -8.257 1.00 0.00 N ATOM 1116 CA TYR A 79 -4.033 -3.937 -8.111 1.00 0.00 C ATOM 1117 C TYR A 79 -3.658 -3.242 -9.438 1.00 0.00 C ATOM 1118 O TYR A 79 -3.812 -3.758 -10.526 1.00 0.00 O ATOM 1119 CB TYR A 79 -2.832 -3.802 -7.099 1.00 0.00 C ATOM 1120 CG TYR A 79 -3.042 -2.921 -5.880 1.00 0.00 C ATOM 1121 CD1 TYR A 79 -4.308 -2.712 -5.457 1.00 0.00 C ATOM 1122 CD2 TYR A 79 -1.985 -2.304 -5.192 1.00 0.00 C ATOM 1123 CE1 TYR A 79 -4.540 -1.932 -4.422 1.00 0.00 C ATOM 1124 CE2 TYR A 79 -2.233 -1.482 -4.096 1.00 0.00 C ATOM 1125 CZ TYR A 79 -3.551 -1.310 -3.731 1.00 0.00 C ATOM 1126 OH TYR A 79 -3.949 -0.521 -2.697 1.00 0.00 O ATOM 0 H TYR A 79 -3.713 -5.990 -8.690 1.00 0.00 H new ATOM 0 HA TYR A 79 -4.924 -3.431 -7.739 1.00 0.00 H new ATOM 0 HB2 TYR A 79 -2.570 -4.801 -6.751 1.00 0.00 H new ATOM 0 HB3 TYR A 79 -1.971 -3.419 -7.647 1.00 0.00 H new ATOM 0 HD1 TYR A 79 -5.132 -3.186 -5.969 1.00 0.00 H new ATOM 0 HD2 TYR A 79 -0.968 -2.469 -5.517 1.00 0.00 H new ATOM 0 HE1 TYR A 79 -5.562 -1.780 -4.109 1.00 0.00 H new ATOM 0 HE2 TYR A 79 -1.430 -1.001 -3.557 1.00 0.00 H new ATOM 0 HH TYR A 79 -4.793 -0.080 -2.928 1.00 0.00 H new ATOM 1136 N THR A 80 -3.171 -2.053 -9.229 1.00 0.00 N ATOM 1137 CA THR A 80 -2.706 -1.120 -10.313 1.00 0.00 C ATOM 1138 C THR A 80 -1.191 -1.004 -10.446 1.00 0.00 C ATOM 1139 O THR A 80 -0.648 -0.906 -11.527 1.00 0.00 O ATOM 1140 CB THR A 80 -3.261 0.202 -9.992 1.00 0.00 C ATOM 1141 OG1 THR A 80 -4.664 0.074 -10.145 1.00 0.00 O ATOM 1142 CG2 THR A 80 -2.808 1.258 -10.955 1.00 0.00 C ATOM 0 H THR A 80 -3.068 -1.660 -8.293 1.00 0.00 H new ATOM 0 HA THR A 80 -3.049 -1.518 -11.268 1.00 0.00 H new ATOM 0 HB THR A 80 -2.941 0.497 -8.993 1.00 0.00 H new ATOM 0 HG1 THR A 80 -4.868 -0.773 -10.594 1.00 0.00 H new ATOM 0 HG21 THR A 80 -3.245 2.217 -10.676 1.00 0.00 H new ATOM 0 HG22 THR A 80 -1.721 1.333 -10.928 1.00 0.00 H new ATOM 0 HG23 THR A 80 -3.128 0.993 -11.963 1.00 0.00 H new ATOM 1150 N ILE A 81 -0.560 -0.995 -9.304 1.00 0.00 N ATOM 1151 CA ILE A 81 0.946 -0.893 -9.219 1.00 0.00 C ATOM 1152 C ILE A 81 1.527 0.070 -10.299 1.00 0.00 C ATOM 1153 O ILE A 81 2.379 -0.259 -11.101 1.00 0.00 O ATOM 1154 CB ILE A 81 1.390 -2.386 -9.339 1.00 0.00 C ATOM 1155 CG1 ILE A 81 1.004 -3.189 -8.073 1.00 0.00 C ATOM 1156 CG2 ILE A 81 2.912 -2.510 -9.527 1.00 0.00 C ATOM 1157 CD1 ILE A 81 1.791 -2.706 -6.831 1.00 0.00 C ATOM 0 H ILE A 81 -1.027 -1.055 -8.399 1.00 0.00 H new ATOM 0 HA ILE A 81 1.323 -0.442 -8.301 1.00 0.00 H new ATOM 0 HB ILE A 81 0.875 -2.789 -10.211 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -0.066 -3.088 -7.889 1.00 0.00 H new ATOM 0 HG13 ILE A 81 1.200 -4.248 -8.239 1.00 0.00 H new ATOM 0 HG21 ILE A 81 3.184 -3.562 -9.607 1.00 0.00 H new ATOM 0 HG22 ILE A 81 3.210 -1.988 -10.436 1.00 0.00 H new ATOM 0 HG23 ILE A 81 3.422 -2.067 -8.671 1.00 0.00 H new ATOM 0 HD11 ILE A 81 1.494 -3.292 -5.961 1.00 0.00 H new ATOM 0 HD12 ILE A 81 2.860 -2.832 -7.006 1.00 0.00 H new ATOM 0 HD13 ILE A 81 1.575 -1.653 -6.650 1.00 0.00 H new ATOM 1169 N SER A 82 1.037 1.283 -10.281 1.00 0.00 N ATOM 1170 CA SER A 82 1.530 2.281 -11.299 1.00 0.00 C ATOM 1171 C SER A 82 2.355 3.437 -10.728 1.00 0.00 C ATOM 1172 O SER A 82 2.605 3.491 -9.538 1.00 0.00 O ATOM 1173 CB SER A 82 0.300 2.825 -12.032 1.00 0.00 C ATOM 1174 OG SER A 82 -0.223 1.684 -12.709 1.00 0.00 O ATOM 0 H SER A 82 0.334 1.627 -9.627 1.00 0.00 H new ATOM 0 HA SER A 82 2.219 1.758 -11.963 1.00 0.00 H new ATOM 0 HB2 SER A 82 -0.427 3.246 -11.337 1.00 0.00 H new ATOM 0 HB3 SER A 82 0.568 3.617 -12.731 1.00 0.00 H new ATOM 0 HG SER A 82 -1.025 1.940 -13.211 1.00 0.00 H new ATOM 1180 N PRO A 83 2.772 4.343 -11.591 1.00 0.00 N ATOM 1181 CA PRO A 83 2.911 5.768 -11.189 1.00 0.00 C ATOM 1182 C PRO A 83 1.594 6.210 -10.512 1.00 0.00 C ATOM 1183 O PRO A 83 0.566 5.605 -10.753 1.00 0.00 O ATOM 1184 CB PRO A 83 3.251 6.478 -12.521 1.00 0.00 C ATOM 1185 CG PRO A 83 2.713 5.488 -13.597 1.00 0.00 C ATOM 1186 CD PRO A 83 3.130 4.126 -13.023 1.00 0.00 C ATOM 0 HA PRO A 83 3.682 5.995 -10.453 1.00 0.00 H new ATOM 0 HB2 PRO A 83 2.768 7.453 -12.593 1.00 0.00 H new ATOM 0 HB3 PRO A 83 4.323 6.645 -12.627 1.00 0.00 H new ATOM 0 HG2 PRO A 83 1.632 5.565 -13.717 1.00 0.00 H new ATOM 0 HG3 PRO A 83 3.157 5.670 -14.576 1.00 0.00 H new ATOM 0 HD2 PRO A 83 2.582 3.297 -13.471 1.00 0.00 H new ATOM 0 HD3 PRO A 83 4.191 3.919 -13.163 1.00 0.00 H new ATOM 1194 N ASP A 84 1.698 7.236 -9.706 1.00 0.00 N ATOM 1195 CA ASP A 84 0.562 7.854 -8.919 1.00 0.00 C ATOM 1196 C ASP A 84 -0.867 7.281 -9.161 1.00 0.00 C ATOM 1197 O ASP A 84 -1.809 7.921 -9.592 1.00 0.00 O ATOM 1198 CB ASP A 84 0.629 9.375 -9.202 1.00 0.00 C ATOM 1199 CG ASP A 84 -0.072 10.129 -8.076 1.00 0.00 C ATOM 1200 OD1 ASP A 84 -1.278 10.233 -8.119 1.00 0.00 O ATOM 1201 OD2 ASP A 84 0.661 10.562 -7.216 1.00 0.00 O ATOM 0 H ASP A 84 2.588 7.709 -9.546 1.00 0.00 H new ATOM 0 HA ASP A 84 0.713 7.602 -7.869 1.00 0.00 H new ATOM 0 HB2 ASP A 84 1.668 9.697 -9.279 1.00 0.00 H new ATOM 0 HB3 ASP A 84 0.154 9.600 -10.157 1.00 0.00 H new ATOM 1206 N ILE A 85 -0.907 6.015 -8.850 1.00 0.00 N ATOM 1207 CA ILE A 85 -2.099 5.118 -8.936 1.00 0.00 C ATOM 1208 C ILE A 85 -3.465 5.862 -8.984 1.00 0.00 C ATOM 1209 O ILE A 85 -3.761 6.711 -8.165 1.00 0.00 O ATOM 1210 CB ILE A 85 -1.854 4.192 -7.722 1.00 0.00 C ATOM 1211 CG1 ILE A 85 -2.782 2.988 -7.674 1.00 0.00 C ATOM 1212 CG2 ILE A 85 -2.005 5.000 -6.429 1.00 0.00 C ATOM 1213 CD1 ILE A 85 -2.122 1.935 -6.709 1.00 0.00 C ATOM 0 H ILE A 85 -0.081 5.524 -8.508 1.00 0.00 H new ATOM 0 HA ILE A 85 -2.189 4.565 -9.871 1.00 0.00 H new ATOM 0 HB ILE A 85 -0.842 3.802 -7.828 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -3.769 3.276 -7.313 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -2.918 2.566 -8.670 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -1.833 4.350 -5.571 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -1.278 5.812 -6.420 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -3.012 5.414 -6.374 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -2.757 1.052 -6.645 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -1.143 1.651 -7.095 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -2.008 2.372 -5.717 1.00 0.00 H new ATOM 1225 N ASP A 86 -4.282 5.538 -9.948 1.00 0.00 N ATOM 1226 CA ASP A 86 -5.619 6.223 -10.058 1.00 0.00 C ATOM 1227 C ASP A 86 -6.526 6.097 -8.824 1.00 0.00 C ATOM 1228 O ASP A 86 -6.926 7.083 -8.235 1.00 0.00 O ATOM 1229 CB ASP A 86 -6.385 5.656 -11.272 1.00 0.00 C ATOM 1230 CG ASP A 86 -5.621 5.889 -12.541 1.00 0.00 C ATOM 1231 OD1 ASP A 86 -4.632 5.204 -12.707 1.00 0.00 O ATOM 1232 OD2 ASP A 86 -6.040 6.719 -13.313 1.00 0.00 O ATOM 0 H ASP A 86 -4.092 4.836 -10.663 1.00 0.00 H new ATOM 0 HA ASP A 86 -5.386 7.283 -10.163 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -6.553 4.588 -11.135 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -7.366 6.127 -11.341 1.00 0.00 H new ATOM 1237 N CYS A 87 -6.741 4.834 -8.563 1.00 0.00 N ATOM 1238 CA CYS A 87 -7.573 4.215 -7.469 1.00 0.00 C ATOM 1239 C CYS A 87 -8.627 3.328 -8.165 1.00 0.00 C ATOM 1240 O CYS A 87 -9.022 2.296 -7.666 1.00 0.00 O ATOM 1241 CB CYS A 87 -8.341 5.289 -6.603 1.00 0.00 C ATOM 1242 SG CYS A 87 -7.401 6.411 -5.542 1.00 0.00 S ATOM 0 H CYS A 87 -6.314 4.113 -9.145 1.00 0.00 H new ATOM 0 HA CYS A 87 -6.914 3.664 -6.798 1.00 0.00 H new ATOM 0 HB2 CYS A 87 -8.929 5.901 -7.287 1.00 0.00 H new ATOM 0 HB3 CYS A 87 -9.047 4.753 -5.968 1.00 0.00 H new ATOM 1247 N SER A 88 -9.065 3.748 -9.321 1.00 0.00 N ATOM 1248 CA SER A 88 -10.100 2.953 -10.073 1.00 0.00 C ATOM 1249 C SER A 88 -9.614 1.727 -10.857 1.00 0.00 C ATOM 1250 O SER A 88 -10.466 0.983 -11.290 1.00 0.00 O ATOM 1251 CB SER A 88 -10.828 3.896 -11.048 1.00 0.00 C ATOM 1252 OG SER A 88 -11.909 3.146 -11.606 1.00 0.00 O ATOM 0 H SER A 88 -8.757 4.604 -9.783 1.00 0.00 H new ATOM 0 HA SER A 88 -10.741 2.541 -9.294 1.00 0.00 H new ATOM 0 HB2 SER A 88 -11.197 4.781 -10.529 1.00 0.00 H new ATOM 0 HB3 SER A 88 -10.152 4.243 -11.830 1.00 0.00 H new ATOM 0 HG SER A 88 -11.777 2.193 -11.419 1.00 0.00 H new ATOM 1258 N ARG A 89 -8.338 1.483 -11.055 1.00 0.00 N ATOM 1259 CA ARG A 89 -7.984 0.235 -11.842 1.00 0.00 C ATOM 1260 C ARG A 89 -7.277 -0.823 -10.929 1.00 0.00 C ATOM 1261 O ARG A 89 -6.333 -1.525 -11.237 1.00 0.00 O ATOM 1262 CB ARG A 89 -7.137 0.737 -13.084 1.00 0.00 C ATOM 1263 CG ARG A 89 -5.679 1.121 -12.822 1.00 0.00 C ATOM 1264 CD ARG A 89 -5.093 1.760 -14.120 1.00 0.00 C ATOM 1265 NE ARG A 89 -5.602 3.177 -14.210 1.00 0.00 N ATOM 1266 CZ ARG A 89 -6.110 3.767 -15.236 1.00 0.00 C ATOM 1267 NH1 ARG A 89 -6.865 3.149 -16.060 1.00 0.00 N ATOM 1268 NH2 ARG A 89 -5.805 5.000 -15.359 1.00 0.00 N ATOM 0 H ARG A 89 -7.557 2.053 -10.730 1.00 0.00 H new ATOM 0 HA ARG A 89 -8.857 -0.303 -12.211 1.00 0.00 H new ATOM 0 HB2 ARG A 89 -7.150 -0.047 -13.842 1.00 0.00 H new ATOM 0 HB3 ARG A 89 -7.643 1.602 -13.512 1.00 0.00 H new ATOM 0 HG2 ARG A 89 -5.616 1.825 -11.992 1.00 0.00 H new ATOM 0 HG3 ARG A 89 -5.101 0.241 -12.539 1.00 0.00 H new ATOM 0 HD2 ARG A 89 -4.003 1.747 -14.093 1.00 0.00 H new ATOM 0 HD3 ARG A 89 -5.397 1.189 -14.997 1.00 0.00 H new ATOM 0 HE ARG A 89 -5.536 3.734 -13.358 1.00 0.00 H new ATOM 0 HH11 ARG A 89 -7.080 2.163 -15.914 1.00 0.00 H new ATOM 0 HH12 ARG A 89 -7.253 3.642 -16.864 1.00 0.00 H new ATOM 0 HH21 ARG A 89 -5.199 5.447 -14.671 1.00 0.00 H new ATOM 0 HH22 ARG A 89 -6.167 5.539 -16.146 1.00 0.00 H new ATOM 1282 N ILE A 90 -7.900 -0.843 -9.784 1.00 0.00 N ATOM 1283 CA ILE A 90 -7.627 -1.682 -8.570 1.00 0.00 C ATOM 1284 C ILE A 90 -8.950 -2.430 -8.305 1.00 0.00 C ATOM 1285 O ILE A 90 -10.008 -1.933 -8.654 1.00 0.00 O ATOM 1286 CB ILE A 90 -7.320 -0.807 -7.337 1.00 0.00 C ATOM 1287 CG1 ILE A 90 -5.858 -0.317 -7.381 1.00 0.00 C ATOM 1288 CG2 ILE A 90 -7.554 -1.662 -6.064 1.00 0.00 C ATOM 1289 CD1 ILE A 90 -5.494 0.420 -6.092 1.00 0.00 C ATOM 0 H ILE A 90 -8.695 -0.225 -9.625 1.00 0.00 H new ATOM 0 HA ILE A 90 -6.770 -2.336 -8.735 1.00 0.00 H new ATOM 0 HB ILE A 90 -7.972 0.066 -7.329 1.00 0.00 H new ATOM 0 HG12 ILE A 90 -5.189 -1.166 -7.521 1.00 0.00 H new ATOM 0 HG13 ILE A 90 -5.717 0.344 -8.236 1.00 0.00 H new ATOM 0 HG21 ILE A 90 -7.342 -1.062 -5.179 1.00 0.00 H new ATOM 0 HG22 ILE A 90 -8.591 -1.997 -6.036 1.00 0.00 H new ATOM 0 HG23 ILE A 90 -6.893 -2.529 -6.081 1.00 0.00 H new ATOM 0 HD11 ILE A 90 -4.459 0.757 -6.145 1.00 0.00 H new ATOM 0 HD12 ILE A 90 -6.150 1.282 -5.968 1.00 0.00 H new ATOM 0 HD13 ILE A 90 -5.614 -0.252 -5.242 1.00 0.00 H new ATOM 1301 N TYR A 91 -8.828 -3.571 -7.695 1.00 0.00 N ATOM 1302 CA TYR A 91 -10.019 -4.401 -7.360 1.00 0.00 C ATOM 1303 C TYR A 91 -9.998 -4.529 -5.842 1.00 0.00 C ATOM 1304 O TYR A 91 -11.051 -4.380 -5.254 1.00 0.00 O ATOM 1305 CB TYR A 91 -9.907 -5.783 -7.991 1.00 0.00 C ATOM 1306 CG TYR A 91 -10.315 -5.735 -9.453 1.00 0.00 C ATOM 1307 CD1 TYR A 91 -9.570 -5.027 -10.366 1.00 0.00 C ATOM 1308 CD2 TYR A 91 -11.441 -6.412 -9.868 1.00 0.00 C ATOM 1309 CE1 TYR A 91 -9.950 -4.996 -11.690 1.00 0.00 C ATOM 1310 CE2 TYR A 91 -11.819 -6.379 -11.192 1.00 0.00 C ATOM 1311 CZ TYR A 91 -11.074 -5.674 -12.099 1.00 0.00 C ATOM 1312 OH TYR A 91 -11.467 -5.653 -13.416 1.00 0.00 O ATOM 1313 OXT TYR A 91 -8.916 -4.775 -5.332 1.00 0.00 O ATOM 0 H TYR A 91 -7.936 -3.974 -7.408 1.00 0.00 H new ATOM 0 HA TYR A 91 -10.940 -3.950 -7.731 1.00 0.00 H new ATOM 0 HB2 TYR A 91 -8.883 -6.147 -7.905 1.00 0.00 H new ATOM 0 HB3 TYR A 91 -10.542 -6.487 -7.453 1.00 0.00 H new ATOM 0 HD1 TYR A 91 -8.687 -4.495 -10.045 1.00 0.00 H new ATOM 0 HD2 TYR A 91 -12.028 -6.970 -9.154 1.00 0.00 H new ATOM 0 HE1 TYR A 91 -9.365 -4.439 -12.407 1.00 0.00 H new ATOM 0 HE2 TYR A 91 -12.703 -6.909 -11.515 1.00 0.00 H new ATOM 0 HH TYR A 91 -12.282 -6.187 -13.523 1.00 0.00 H new TER 1323 TYR A 91 HETATM 1324 N1A COA A 92 1.863 14.448 5.471 1.00 0.00 N HETATM 1325 C2A COA A 92 1.254 14.850 4.352 1.00 0.00 C HETATM 1326 N3A COA A 92 -0.057 14.866 4.112 1.00 0.00 N HETATM 1327 C4A COA A 92 -0.793 14.409 5.162 1.00 0.00 C HETATM 1328 C5A COA A 92 -0.298 13.966 6.366 1.00 0.00 C HETATM 1329 C6A COA A 92 1.113 14.001 6.497 1.00 0.00 C HETATM 1330 N6A COA A 92 1.764 13.606 7.586 1.00 0.00 N HETATM 1331 N7A COA A 92 -1.325 13.561 7.205 1.00 0.00 N HETATM 1332 C8A COA A 92 -2.400 13.766 6.489 1.00 0.00 C HETATM 1333 N9A COA A 92 -2.169 14.288 5.222 1.00 0.00 N HETATM 1334 C1B COA A 92 -3.157 14.690 4.120 1.00 0.00 C HETATM 1335 C2B COA A 92 -2.904 14.076 2.733 1.00 0.00 C HETATM 1336 O2B COA A 92 -2.087 14.961 1.951 1.00 0.00 O HETATM 1337 C3B COA A 92 -4.346 14.039 2.154 1.00 0.00 C HETATM 1338 O3B COA A 92 -4.627 15.274 1.388 1.00 0.00 O HETATM 1339 P3B COA A 92 -4.554 15.379 -0.246 1.00 0.00 P HETATM 1340 O7A COA A 92 -3.185 14.877 -0.522 1.00 0.00 O HETATM 1341 O8A COA A 92 -5.647 14.504 -0.722 1.00 0.00 O HETATM 1342 O9A COA A 92 -4.715 16.812 -0.578 1.00 0.00 O HETATM 1343 C4B COA A 92 -5.263 13.957 3.426 1.00 0.00 C HETATM 1344 O4B COA A 92 -4.491 14.442 4.562 1.00 0.00 O HETATM 1345 C5B COA A 92 -5.725 12.498 3.762 1.00 0.00 C HETATM 1346 O5B COA A 92 -6.516 12.402 4.988 1.00 0.00 O HETATM 1347 P1A COA A 92 -5.996 11.651 6.327 1.00 0.00 P HETATM 1348 O1A COA A 92 -6.576 10.289 6.407 1.00 0.00 O HETATM 1349 O2A COA A 92 -6.256 12.509 7.509 1.00 0.00 O HETATM 1350 O3A COA A 92 -4.464 11.616 6.049 1.00 0.00 O HETATM 1351 P2A COA A 92 -3.722 10.420 6.686 1.00 0.00 P HETATM 1352 O4A COA A 92 -4.116 10.355 8.114 1.00 0.00 O HETATM 1353 O5A COA A 92 -3.934 9.221 5.845 1.00 0.00 O HETATM 1354 O6A COA A 92 -2.170 10.901 6.569 1.00 0.00 O HETATM 1355 CBP COA A 92 -0.369 10.018 5.105 1.00 0.00 C HETATM 1356 CCP COA A 92 -1.524 11.007 5.264 1.00 0.00 C HETATM 1357 CDP COA A 92 -0.962 8.692 5.473 1.00 0.00 C HETATM 1358 CEP COA A 92 0.067 9.965 3.620 1.00 0.00 C HETATM 1359 CAP COA A 92 0.835 10.467 6.011 1.00 0.00 C HETATM 1360 OAP COA A 92 0.325 10.634 7.335 1.00 0.00 O HETATM 1361 C9P COA A 92 2.043 9.543 5.905 1.00 0.00 C HETATM 1362 O9P COA A 92 3.090 9.955 5.447 1.00 0.00 O HETATM 1363 N8P COA A 92 1.867 8.325 6.328 1.00 0.00 N HETATM 1364 C7P COA A 92 2.954 7.294 6.293 1.00 0.00 C HETATM 1365 C6P COA A 92 2.494 6.031 5.494 1.00 0.00 C HETATM 1366 C5P COA A 92 1.946 6.316 4.118 1.00 0.00 C HETATM 1367 O5P COA A 92 1.224 7.253 3.914 1.00 0.00 O HETATM 1368 N4P COA A 92 2.275 5.486 3.172 1.00 0.00 N HETATM 1369 C3P COA A 92 1.798 5.669 1.783 1.00 0.00 C HETATM 1370 C2P COA A 92 0.784 4.636 1.725 1.00 0.00 C HETATM 1371 S1P COA A 92 1.432 2.971 1.998 1.00 0.00 S HETATM 0 HO2A COA A 92 -2.328 14.879 1.005 1.00 0.00 H new HETATM 0 H62A COA A 92 1.245 13.259 8.392 1.00 0.00 H new HETATM 0 H61A COA A 92 2.783 13.650 7.615 1.00 0.00 H new HETATM 0 H52A COA A 92 -6.312 12.111 2.929 1.00 0.00 H new HETATM 0 H51A COA A 92 -4.846 11.860 3.856 1.00 0.00 H new HETATM 0 H143 COA A 92 -0.773 9.643 3.005 1.00 0.00 H new HETATM 0 H142 COA A 92 0.391 10.955 3.300 1.00 0.00 H new HETATM 0 H141 COA A 92 0.890 9.260 3.508 1.00 0.00 H new HETATM 0 H133 COA A 92 -1.328 8.729 6.499 1.00 0.00 H new HETATM 0 H132 COA A 92 -1.789 8.464 4.801 1.00 0.00 H new HETATM 0 H131 COA A 92 -0.201 7.917 5.387 1.00 0.00 H new HETATM 0 H122 COA A 92 -2.261 10.830 4.481 1.00 0.00 H new HETATM 0 H121 COA A 92 -1.151 12.022 5.127 1.00 0.00 H new HETATM 0 HO1 COA A 92 -0.633 10.426 7.345 1.00 0.00 H new HETATM 0 HN8 COA A 92 0.954 8.062 6.698 1.00 0.00 H new HETATM 0 HN4 COA A 92 2.875 4.691 3.392 1.00 0.00 H new HETATM 0 H8A COA A 92 -3.401 13.544 6.858 1.00 0.00 H new HETATM 0 H72 COA A 92 3.847 7.716 5.833 1.00 0.00 H new HETATM 0 H71 COA A 92 3.224 7.009 7.310 1.00 0.00 H new HETATM 0 H62 COA A 92 3.340 5.351 5.399 1.00 0.00 H new HETATM 0 H61 COA A 92 1.731 5.511 6.073 1.00 0.00 H new HETATM 0 H4B COA A 92 -6.155 14.551 3.225 1.00 0.00 H new HETATM 0 H3B COA A 92 -4.505 13.207 1.468 1.00 0.00 H new HETATM 0 H32 COA A 92 1.389 6.664 1.611 1.00 0.00 H new HETATM 0 H31 COA A 92 2.589 5.518 1.048 1.00 0.00 H new HETATM 0 H2B COA A 92 -2.395 13.112 2.748 1.00 0.00 H new HETATM 0 H2A COA A 92 1.899 15.203 3.548 1.00 0.00 H new HETATM 0 H22 COA A 92 0.019 4.847 2.473 1.00 0.00 H new HETATM 0 H21 COA A 92 0.296 4.672 0.751 1.00 0.00 H new HETATM 0 H1B COA A 92 -2.996 15.756 3.959 1.00 0.00 H new HETATM 0 H10 COA A 92 1.241 11.418 5.666 1.00 0.00 H new HETATM 1403 C1 PLM A 96 0.282 2.226 0.832 1.00 0.00 C HETATM 1404 O1 PLM A 96 -0.858 2.610 0.694 1.00 0.00 O HETATM 1405 C2 PLM A 96 0.828 1.053 0.024 1.00 0.00 C HETATM 1406 C3 PLM A 96 2.239 1.165 -0.549 1.00 0.00 C HETATM 1407 C4 PLM A 96 2.350 2.324 -1.488 1.00 0.00 C HETATM 1408 C5 PLM A 96 3.769 2.450 -2.090 1.00 0.00 C HETATM 1409 C6 PLM A 96 3.721 2.207 -3.630 1.00 0.00 C HETATM 1410 C7 PLM A 96 3.378 0.734 -3.987 1.00 0.00 C HETATM 1411 C8 PLM A 96 4.370 -0.201 -3.258 1.00 0.00 C HETATM 1412 C9 PLM A 96 4.519 -1.528 -3.982 1.00 0.00 C HETATM 1413 CA PLM A 96 3.246 -2.381 -4.139 1.00 0.00 C HETATM 1414 CB PLM A 96 2.618 -2.862 -2.813 1.00 0.00 C HETATM 1415 CC PLM A 96 1.820 -4.174 -3.137 1.00 0.00 C HETATM 1416 CD PLM A 96 0.834 -4.582 -2.021 1.00 0.00 C HETATM 1417 CE PLM A 96 -0.250 -3.506 -1.888 1.00 0.00 C HETATM 1418 CF PLM A 96 -1.262 -3.809 -0.819 1.00 0.00 C HETATM 1419 CG PLM A 96 -1.963 -5.158 -1.008 1.00 0.00 C HETATM 0 HG3 PLM A 96 -2.486 -5.165 -1.964 1.00 0.00 H new HETATM 0 HG2 PLM A 96 -1.223 -5.958 -0.993 1.00 0.00 H new HETATM 0 HG1 PLM A 96 -2.680 -5.312 -0.201 1.00 0.00 H new HETATM 0 HF2 PLM A 96 -0.768 -3.798 0.152 1.00 0.00 H new HETATM 0 HF1 PLM A 96 -2.011 -3.018 -0.804 1.00 0.00 H new HETATM 0 HE2 PLM A 96 0.223 -2.549 -1.669 1.00 0.00 H new HETATM 0 HE1 PLM A 96 -0.763 -3.397 -2.844 1.00 0.00 H new HETATM 0 HD2 PLM A 96 0.380 -5.545 -2.254 1.00 0.00 H new HETATM 0 HD1 PLM A 96 1.364 -4.700 -1.076 1.00 0.00 H new HETATM 0 HC2 PLM A 96 1.268 -4.035 -4.067 1.00 0.00 H new HETATM 0 HC1 PLM A 96 2.525 -4.988 -3.304 1.00 0.00 H new HETATM 0 HB2 PLM A 96 3.390 -3.053 -2.067 1.00 0.00 H new HETATM 0 HB1 PLM A 96 1.957 -2.100 -2.400 1.00 0.00 H new HETATM 0 HA2 PLM A 96 2.503 -1.801 -4.687 1.00 0.00 H new HETATM 0 HA1 PLM A 96 3.483 -3.253 -4.749 1.00 0.00 H new HETATM 0 H92 PLM A 96 4.919 -1.329 -4.976 1.00 0.00 H new HETATM 0 H91 PLM A 96 5.263 -2.123 -3.452 1.00 0.00 H new HETATM 0 H82 PLM A 96 5.343 0.285 -3.184 1.00 0.00 H new HETATM 0 H81 PLM A 96 4.024 -0.378 -2.240 1.00 0.00 H new HETATM 0 H72 PLM A 96 2.355 0.503 -3.691 1.00 0.00 H new HETATM 0 H71 PLM A 96 3.440 0.583 -5.065 1.00 0.00 H new HETATM 0 H62 PLM A 96 2.979 2.868 -4.076 1.00 0.00 H new HETATM 0 H61 PLM A 96 4.685 2.469 -4.067 1.00 0.00 H new HETATM 0 H52 PLM A 96 4.174 3.441 -1.883 1.00 0.00 H new HETATM 0 H51 PLM A 96 4.437 1.728 -1.621 1.00 0.00 H new HETATM 0 H42 PLM A 96 1.624 2.209 -2.293 1.00 0.00 H new HETATM 0 H41 PLM A 96 2.098 3.244 -0.960 1.00 0.00 H new HETATM 0 H32 PLM A 96 2.956 1.282 0.263 1.00 0.00 H new HETATM 0 H31 PLM A 96 2.496 0.244 -1.072 1.00 0.00 H new HETATM 0 H22 PLM A 96 0.796 0.168 0.659 1.00 0.00 H new HETATM 0 H21 PLM A 96 0.145 0.874 -0.806 1.00 0.00 H new