USER MOD reduce.3.24.130724 H: found=0, std=0, add=1017, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 1018 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 99 ASN : amide:sc= -1.11 X(o=-2.3,f=-2) USER MOD Set 1.2: A 102 MET CE :methyl -174:sc= -1.19 (180deg=-1.32) USER MOD Set 2.1: A 92 ASN : amide:sc= -2.53 K(o=-6,f=-12!) USER MOD Set 2.2: A 93 ASN : amide:sc= -3.42 K(o=-6,f=-5.2!) USER MOD Set 3.1: A 59 MET CE :methyl -168:sc= -2.98 (180deg=-3.72!) USER MOD Set 3.2: A 88 MET CE :methyl -175:sc= -2.11 (180deg=-1.88) USER MOD Set 4.1: A 51 THR OG1 : rot 36:sc= 0.232 USER MOD Set 4.2: A 97 MET CE :methyl 178:sc= -1.65! (180deg=-1.61) USER MOD Set 5.1: A 28 THR OG1 : rot 180:sc= 0 USER MOD Set 5.2: A 39 THR OG1 : rot 180:sc= 0 USER MOD Set 6.1: A 13 SER OG : rot 47:sc= 1.31 USER MOD Set 6.2: A 32 THR OG1 : rot -168:sc= 1.53 USER MOD Set 7.1: A 2 SER OG : rot 40:sc= 1.04 USER MOD Set 7.2: A 3 HIS : no HE2:sc= 1.12 K(o=2.2,f=-10!) USER MOD Single : A 4 SER OG : rot -50:sc= 0.377 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 ASN : amide:sc= 0.0164 K(o=0.016,f=-2.8!) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot 180:sc= -0.201 USER MOD Single : A 36 LYS NZ :NH3+ -111:sc= -0.262 (180deg=-2.37!) USER MOD Single : A 38 HIS : no HD1:sc= -4.97! C(o=-5!,f=-3.8!) USER MOD Single : A 43 SER OG : rot 150:sc= -2.93 USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= -0.198 K(o=-0.2,f=-3.5!) USER MOD Single : A 54 SER OG : rot -170:sc= -0.971 USER MOD Single : A 55 SER OG : rot 180:sc= 0.0136 USER MOD Single : A 57 LYS NZ :NH3+ -160:sc= 0.22 (180deg=0.173) USER MOD Single : A 58 MET CE :methyl 153:sc= -9.26! (180deg=-11.7!) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 LYS NZ :NH3+ 173:sc= 0.496 (180deg=0.465) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 ASN : amide:sc= -0.194 X(o=-0.19,f=0) USER MOD Single : A 78 ASN : amide:sc= -0.149 X(o=-0.15,f=0) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 GLN : amide:sc= -0.238 K(o=-0.24,f=-2.4!) USER MOD Single : A 87 HIS : no HD1:sc= -0.327 X(o=-0.33,f=0.0074) USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 95 THR OG1 : rot 180:sc= 0.157 USER MOD Single : A 101 LYS NZ :NH3+ 137:sc= -1.88 (180deg=-4.86!) USER MOD Single : A 103 THR OG1 : rot 125:sc= 1.11 USER MOD Single : A 105 GLN : amide:sc= -1.25 K(o=-1.2,f=-4.1!) USER MOD Single : A 106 GLN : amide:sc= 0 K(o=0,f=-1.2) USER MOD Single : A 109 SER OG : rot 87:sc= 0.737 USER MOD Single : A 111 TYR OH : rot 30:sc= -0.0399 USER MOD Single : A 112 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 46 SER OG : rot 180:sc= 0 USER MOD Single : B 52 GLN : amide:sc= 0.497 X(o=0.5,f=0) USER MOD Single : B 55 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 1 -12.600 -5.563 8.774 1.00 0.00 N ATOM 2 CA PRO A 1 -12.565 -4.491 9.789 1.00 0.00 C ATOM 3 C PRO A 1 -11.399 -4.665 10.760 1.00 0.00 C ATOM 4 O PRO A 1 -10.871 -5.765 10.920 1.00 0.00 O ATOM 5 CB PRO A 1 -13.897 -4.553 10.530 1.00 0.00 C ATOM 6 CG PRO A 1 -14.772 -5.407 9.662 1.00 0.00 C ATOM 7 CD PRO A 1 -13.861 -6.314 8.859 1.00 0.00 C ATOM 0 H2 PRO A 1 -11.811 -6.195 8.912 1.00 0.00 H new ATOM 0 H3 PRO A 1 -12.500 -5.160 7.842 1.00 0.00 H new ATOM 0 HA PRO A 1 -12.418 -3.522 9.311 1.00 0.00 H new ATOM 0 HB2 PRO A 1 -13.779 -4.987 11.523 1.00 0.00 H new ATOM 0 HB3 PRO A 1 -14.322 -3.559 10.665 1.00 0.00 H new ATOM 0 HG2 PRO A 1 -15.461 -5.994 10.270 1.00 0.00 H new ATOM 0 HG3 PRO A 1 -15.379 -4.788 9.001 1.00 0.00 H new ATOM 0 HD2 PRO A 1 -13.720 -7.276 9.351 1.00 0.00 H new ATOM 0 HD3 PRO A 1 -14.272 -6.519 7.870 1.00 0.00 H new ATOM 17 N SER A 2 -11.007 -3.572 11.405 1.00 0.00 N ATOM 18 CA SER A 2 -9.905 -3.601 12.360 1.00 0.00 C ATOM 19 C SER A 2 -8.604 -4.028 11.687 1.00 0.00 C ATOM 20 O SER A 2 -7.791 -3.188 11.303 1.00 0.00 O ATOM 21 CB SER A 2 -10.233 -4.544 13.521 1.00 0.00 C ATOM 22 OG SER A 2 -9.095 -4.769 14.334 1.00 0.00 O ATOM 0 H SER A 2 -11.436 -2.655 11.284 1.00 0.00 H new ATOM 0 HA SER A 2 -9.770 -2.592 12.749 1.00 0.00 H new ATOM 0 HB2 SER A 2 -11.035 -4.118 14.123 1.00 0.00 H new ATOM 0 HB3 SER A 2 -10.598 -5.494 13.130 1.00 0.00 H new ATOM 0 HG SER A 2 -8.597 -3.931 14.439 1.00 0.00 H new ATOM 28 N HIS A 3 -8.409 -5.335 11.546 1.00 0.00 N ATOM 29 CA HIS A 3 -7.201 -5.864 10.925 1.00 0.00 C ATOM 30 C HIS A 3 -7.526 -6.634 9.653 1.00 0.00 C ATOM 31 O HIS A 3 -6.906 -7.653 9.354 1.00 0.00 O ATOM 32 CB HIS A 3 -6.459 -6.757 11.913 1.00 0.00 C ATOM 33 CG HIS A 3 -5.809 -5.982 13.010 1.00 0.00 C ATOM 34 ND1 HIS A 3 -6.521 -5.345 14.002 1.00 0.00 N ATOM 35 CD2 HIS A 3 -4.505 -5.717 13.252 1.00 0.00 C ATOM 36 CE1 HIS A 3 -5.685 -4.718 14.809 1.00 0.00 C ATOM 37 NE2 HIS A 3 -4.454 -4.930 14.378 1.00 0.00 N ATOM 0 H HIS A 3 -9.072 -6.047 11.853 1.00 0.00 H new ATOM 0 HA HIS A 3 -6.561 -5.025 10.651 1.00 0.00 H new ATOM 0 HB2 HIS A 3 -7.157 -7.474 12.344 1.00 0.00 H new ATOM 0 HB3 HIS A 3 -5.701 -7.331 11.380 1.00 0.00 H new ATOM 0 HD1 HIS A 3 -7.536 -5.356 14.098 1.00 0.00 H new ATOM 0 HD2 HIS A 3 -3.662 -6.059 12.670 1.00 0.00 H new ATOM 0 HE1 HIS A 3 -5.960 -4.132 15.673 1.00 0.00 H new ATOM 46 N SER A 4 -8.497 -6.129 8.902 1.00 0.00 N ATOM 47 CA SER A 4 -8.901 -6.753 7.651 1.00 0.00 C ATOM 48 C SER A 4 -9.783 -5.815 6.844 1.00 0.00 C ATOM 49 O SER A 4 -10.122 -4.721 7.293 1.00 0.00 O ATOM 50 CB SER A 4 -9.641 -8.069 7.899 1.00 0.00 C ATOM 51 OG SER A 4 -9.106 -8.758 9.017 1.00 0.00 O ATOM 0 H SER A 4 -9.020 -5.286 9.140 1.00 0.00 H new ATOM 0 HA SER A 4 -7.994 -6.967 7.085 1.00 0.00 H new ATOM 0 HB2 SER A 4 -10.699 -7.868 8.065 1.00 0.00 H new ATOM 0 HB3 SER A 4 -9.572 -8.700 7.013 1.00 0.00 H new ATOM 0 HG SER A 4 -8.131 -8.811 8.932 1.00 0.00 H new ATOM 57 N GLY A 5 -10.154 -6.255 5.650 1.00 0.00 N ATOM 58 CA GLY A 5 -10.995 -5.449 4.797 1.00 0.00 C ATOM 59 C GLY A 5 -10.898 -5.855 3.349 1.00 0.00 C ATOM 60 O GLY A 5 -9.807 -5.922 2.782 1.00 0.00 O ATOM 0 H GLY A 5 -9.886 -7.158 5.259 1.00 0.00 H new ATOM 0 HA2 GLY A 5 -12.030 -5.533 5.127 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -10.713 -4.401 4.898 1.00 0.00 H new ATOM 64 N ALA A 6 -12.046 -6.130 2.754 1.00 0.00 N ATOM 65 CA ALA A 6 -12.103 -6.541 1.362 1.00 0.00 C ATOM 66 C ALA A 6 -11.382 -5.542 0.462 1.00 0.00 C ATOM 67 O ALA A 6 -11.820 -4.403 0.300 1.00 0.00 O ATOM 68 CB ALA A 6 -13.543 -6.731 0.932 1.00 0.00 C ATOM 0 H ALA A 6 -12.954 -6.076 3.215 1.00 0.00 H new ATOM 0 HA ALA A 6 -11.587 -7.496 1.263 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -13.573 -7.039 -0.113 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -14.009 -7.498 1.550 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -14.085 -5.792 1.049 1.00 0.00 H new ATOM 74 N ALA A 7 -10.261 -5.979 -0.102 1.00 0.00 N ATOM 75 CA ALA A 7 -9.455 -5.127 -0.972 1.00 0.00 C ATOM 76 C ALA A 7 -9.202 -5.779 -2.329 1.00 0.00 C ATOM 77 O ALA A 7 -9.131 -7.001 -2.433 1.00 0.00 O ATOM 78 CB ALA A 7 -8.126 -4.809 -0.295 1.00 0.00 C ATOM 0 H ALA A 7 -9.889 -6.920 0.027 1.00 0.00 H new ATOM 0 HA ALA A 7 -10.012 -4.206 -1.145 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -7.528 -4.173 -0.948 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -8.312 -4.291 0.646 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -7.587 -5.736 -0.098 1.00 0.00 H new ATOM 84 N ILE A 8 -9.049 -4.959 -3.365 1.00 0.00 N ATOM 85 CA ILE A 8 -8.782 -5.471 -4.706 1.00 0.00 C ATOM 86 C ILE A 8 -7.302 -5.360 -5.025 1.00 0.00 C ATOM 87 O ILE A 8 -6.711 -4.283 -4.927 1.00 0.00 O ATOM 88 CB ILE A 8 -9.607 -4.730 -5.788 1.00 0.00 C ATOM 89 CG1 ILE A 8 -10.968 -5.402 -5.950 1.00 0.00 C ATOM 90 CG2 ILE A 8 -8.878 -4.682 -7.127 1.00 0.00 C ATOM 91 CD1 ILE A 8 -12.126 -4.517 -5.571 1.00 0.00 C ATOM 0 H ILE A 8 -9.105 -3.942 -3.303 1.00 0.00 H new ATOM 0 HA ILE A 8 -9.083 -6.518 -4.718 1.00 0.00 H new ATOM 0 HB ILE A 8 -9.745 -3.701 -5.457 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -11.087 -5.718 -6.986 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -10.994 -6.303 -5.337 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -9.492 -4.154 -7.857 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -7.929 -4.160 -7.006 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -8.692 -5.698 -7.477 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -13.060 -5.060 -5.711 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -12.031 -4.222 -4.526 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -12.125 -3.627 -6.201 1.00 0.00 H new ATOM 103 N PHE A 9 -6.708 -6.478 -5.408 1.00 0.00 N ATOM 104 CA PHE A 9 -5.287 -6.496 -5.743 1.00 0.00 C ATOM 105 C PHE A 9 -5.072 -6.771 -7.225 1.00 0.00 C ATOM 106 O PHE A 9 -5.645 -7.706 -7.782 1.00 0.00 O ATOM 107 CB PHE A 9 -4.547 -7.539 -4.906 1.00 0.00 C ATOM 108 CG PHE A 9 -3.068 -7.292 -4.826 1.00 0.00 C ATOM 109 CD1 PHE A 9 -2.580 -6.046 -4.466 1.00 0.00 C ATOM 110 CD2 PHE A 9 -2.167 -8.304 -5.118 1.00 0.00 C ATOM 111 CE1 PHE A 9 -1.219 -5.812 -4.396 1.00 0.00 C ATOM 112 CE2 PHE A 9 -0.804 -8.076 -5.049 1.00 0.00 C ATOM 113 CZ PHE A 9 -0.331 -6.830 -4.688 1.00 0.00 C ATOM 0 H PHE A 9 -7.179 -7.379 -5.495 1.00 0.00 H new ATOM 0 HA PHE A 9 -4.884 -5.509 -5.515 1.00 0.00 H new ATOM 0 HB2 PHE A 9 -4.962 -7.548 -3.898 1.00 0.00 H new ATOM 0 HB3 PHE A 9 -4.721 -8.527 -5.332 1.00 0.00 H new ATOM 0 HD1 PHE A 9 -3.271 -5.248 -4.237 1.00 0.00 H new ATOM 0 HD2 PHE A 9 -2.532 -9.280 -5.402 1.00 0.00 H new ATOM 0 HE1 PHE A 9 -0.851 -4.837 -4.114 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -0.111 -8.872 -5.277 1.00 0.00 H new ATOM 0 HZ PHE A 9 0.733 -6.651 -4.634 1.00 0.00 H new ATOM 123 N GLU A 10 -4.241 -5.951 -7.860 1.00 0.00 N ATOM 124 CA GLU A 10 -3.947 -6.108 -9.279 1.00 0.00 C ATOM 125 C GLU A 10 -5.228 -6.109 -10.101 1.00 0.00 C ATOM 126 O GLU A 10 -5.329 -6.817 -11.104 1.00 0.00 O ATOM 127 CB GLU A 10 -3.172 -7.403 -9.519 1.00 0.00 C ATOM 128 CG GLU A 10 -1.916 -7.521 -8.672 1.00 0.00 C ATOM 129 CD GLU A 10 -1.117 -8.774 -8.982 1.00 0.00 C ATOM 130 OE1 GLU A 10 -1.649 -9.661 -9.681 1.00 0.00 O ATOM 131 OE2 GLU A 10 0.041 -8.868 -8.523 1.00 0.00 O ATOM 0 H GLU A 10 -3.759 -5.171 -7.414 1.00 0.00 H new ATOM 0 HA GLU A 10 -3.335 -5.263 -9.594 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -3.823 -8.252 -9.310 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -2.898 -7.464 -10.572 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -1.288 -6.645 -8.836 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -2.192 -7.523 -7.618 1.00 0.00 H new ATOM 138 N LYS A 11 -6.214 -5.328 -9.660 1.00 0.00 N ATOM 139 CA LYS A 11 -7.499 -5.258 -10.347 1.00 0.00 C ATOM 140 C LYS A 11 -8.333 -6.497 -10.040 1.00 0.00 C ATOM 141 O LYS A 11 -9.459 -6.635 -10.520 1.00 0.00 O ATOM 142 CB LYS A 11 -7.309 -5.110 -11.861 1.00 0.00 C ATOM 143 CG LYS A 11 -6.274 -4.067 -12.247 1.00 0.00 C ATOM 144 CD LYS A 11 -6.231 -3.855 -13.751 1.00 0.00 C ATOM 145 CE LYS A 11 -5.105 -2.914 -14.149 1.00 0.00 C ATOM 146 NZ LYS A 11 -3.877 -3.657 -14.548 1.00 0.00 N ATOM 0 H LYS A 11 -6.146 -4.737 -8.832 1.00 0.00 H new ATOM 0 HA LYS A 11 -8.027 -4.377 -9.983 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -7.014 -6.073 -12.277 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -8.265 -4.846 -12.314 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -6.505 -3.124 -11.752 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -5.291 -4.380 -11.894 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -6.099 -4.814 -14.251 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -7.184 -3.448 -14.090 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -5.433 -2.284 -14.976 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -4.874 -2.251 -13.315 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -3.132 -2.981 -14.812 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -3.549 -4.239 -13.751 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -4.091 -4.271 -15.360 1.00 0.00 H new ATOM 160 N VAL A 12 -7.781 -7.390 -9.218 1.00 0.00 N ATOM 161 CA VAL A 12 -8.478 -8.597 -8.830 1.00 0.00 C ATOM 162 C VAL A 12 -9.103 -8.401 -7.470 1.00 0.00 C ATOM 163 O VAL A 12 -8.650 -7.576 -6.679 1.00 0.00 O ATOM 164 CB VAL A 12 -7.551 -9.826 -8.811 1.00 0.00 C ATOM 165 CG1 VAL A 12 -8.203 -11.003 -8.094 1.00 0.00 C ATOM 166 CG2 VAL A 12 -7.198 -10.201 -10.229 1.00 0.00 C ATOM 0 H VAL A 12 -6.851 -7.292 -8.812 1.00 0.00 H new ATOM 0 HA VAL A 12 -9.251 -8.788 -9.574 1.00 0.00 H new ATOM 0 HB VAL A 12 -6.644 -9.573 -8.262 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -7.522 -11.854 -8.098 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -8.427 -10.723 -7.065 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -9.126 -11.274 -8.606 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -6.541 -11.071 -10.223 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -8.108 -10.437 -10.780 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -6.689 -9.366 -10.710 1.00 0.00 H new ATOM 176 N SER A 13 -10.154 -9.138 -7.210 1.00 0.00 N ATOM 177 CA SER A 13 -10.847 -8.999 -5.943 1.00 0.00 C ATOM 178 C SER A 13 -10.405 -10.029 -4.915 1.00 0.00 C ATOM 179 O SER A 13 -10.024 -11.151 -5.246 1.00 0.00 O ATOM 180 CB SER A 13 -12.350 -9.071 -6.147 1.00 0.00 C ATOM 181 OG SER A 13 -12.737 -10.315 -6.703 1.00 0.00 O ATOM 0 H SER A 13 -10.548 -9.832 -7.845 1.00 0.00 H new ATOM 0 HA SER A 13 -10.582 -8.019 -5.547 1.00 0.00 H new ATOM 0 HB2 SER A 13 -12.856 -8.924 -5.193 1.00 0.00 H new ATOM 0 HB3 SER A 13 -12.669 -8.262 -6.804 1.00 0.00 H new ATOM 0 HG SER A 13 -12.290 -11.042 -6.221 1.00 0.00 H new ATOM 187 N GLY A 14 -10.465 -9.611 -3.659 1.00 0.00 N ATOM 188 CA GLY A 14 -10.083 -10.452 -2.547 1.00 0.00 C ATOM 189 C GLY A 14 -10.156 -9.675 -1.253 1.00 0.00 C ATOM 190 O GLY A 14 -10.506 -8.495 -1.262 1.00 0.00 O ATOM 0 H GLY A 14 -10.780 -8.680 -3.388 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -10.741 -11.320 -2.496 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -9.071 -10.828 -2.697 1.00 0.00 H new ATOM 194 N ILE A 15 -9.829 -10.306 -0.139 1.00 0.00 N ATOM 195 CA ILE A 15 -9.865 -9.612 1.134 1.00 0.00 C ATOM 196 C ILE A 15 -8.461 -9.323 1.621 1.00 0.00 C ATOM 197 O ILE A 15 -7.542 -10.117 1.430 1.00 0.00 O ATOM 198 CB ILE A 15 -10.649 -10.387 2.223 1.00 0.00 C ATOM 199 CG1 ILE A 15 -12.150 -10.477 1.889 1.00 0.00 C ATOM 200 CG2 ILE A 15 -10.472 -9.715 3.584 1.00 0.00 C ATOM 201 CD1 ILE A 15 -12.534 -9.997 0.503 1.00 0.00 C ATOM 0 H ILE A 15 -9.540 -11.283 -0.090 1.00 0.00 H new ATOM 0 HA ILE A 15 -10.395 -8.676 0.960 1.00 0.00 H new ATOM 0 HB ILE A 15 -10.244 -11.399 2.256 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -12.468 -11.514 1.998 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -12.705 -9.894 2.624 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -11.028 -10.270 4.339 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -9.415 -9.702 3.849 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -10.847 -8.692 3.536 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -13.610 -10.102 0.367 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -12.254 -8.950 0.390 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -12.014 -10.594 -0.246 1.00 0.00 H new ATOM 213 N ILE A 16 -8.309 -8.178 2.262 1.00 0.00 N ATOM 214 CA ILE A 16 -7.028 -7.772 2.792 1.00 0.00 C ATOM 215 C ILE A 16 -7.057 -7.910 4.304 1.00 0.00 C ATOM 216 O ILE A 16 -7.871 -7.283 4.978 1.00 0.00 O ATOM 217 CB ILE A 16 -6.691 -6.314 2.376 1.00 0.00 C ATOM 218 CG1 ILE A 16 -5.567 -6.295 1.340 1.00 0.00 C ATOM 219 CG2 ILE A 16 -6.317 -5.450 3.571 1.00 0.00 C ATOM 220 CD1 ILE A 16 -5.189 -4.902 0.882 1.00 0.00 C ATOM 0 H ILE A 16 -9.064 -7.512 2.427 1.00 0.00 H new ATOM 0 HA ILE A 16 -6.248 -8.414 2.383 1.00 0.00 H new ATOM 0 HB ILE A 16 -7.593 -5.891 1.933 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -4.687 -6.781 1.762 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -5.872 -6.883 0.474 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -6.089 -4.439 3.232 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -7.151 -5.419 4.272 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -5.442 -5.872 4.066 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -4.386 -4.966 0.148 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -6.056 -4.420 0.430 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -4.853 -4.316 1.738 1.00 0.00 H new ATOM 232 N ALA A 17 -6.187 -8.758 4.828 1.00 0.00 N ATOM 233 CA ALA A 17 -6.140 -8.995 6.260 1.00 0.00 C ATOM 234 C ALA A 17 -4.768 -8.661 6.833 1.00 0.00 C ATOM 235 O ALA A 17 -3.738 -9.058 6.289 1.00 0.00 O ATOM 236 CB ALA A 17 -6.533 -10.433 6.555 1.00 0.00 C ATOM 0 H ALA A 17 -5.507 -9.291 4.286 1.00 0.00 H new ATOM 0 HA ALA A 17 -6.855 -8.333 6.748 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -6.496 -10.607 7.630 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -7.544 -10.616 6.192 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -5.840 -11.110 6.054 1.00 0.00 H new ATOM 242 N ILE A 18 -4.774 -7.913 7.930 1.00 0.00 N ATOM 243 CA ILE A 18 -3.547 -7.494 8.587 1.00 0.00 C ATOM 244 C ILE A 18 -3.296 -8.310 9.854 1.00 0.00 C ATOM 245 O ILE A 18 -4.223 -8.617 10.601 1.00 0.00 O ATOM 246 CB ILE A 18 -3.616 -5.987 8.925 1.00 0.00 C ATOM 247 CG1 ILE A 18 -3.523 -5.163 7.638 1.00 0.00 C ATOM 248 CG2 ILE A 18 -2.525 -5.581 9.908 1.00 0.00 C ATOM 249 CD1 ILE A 18 -3.640 -3.673 7.861 1.00 0.00 C ATOM 0 H ILE A 18 -5.625 -7.583 8.385 1.00 0.00 H new ATOM 0 HA ILE A 18 -2.716 -7.669 7.904 1.00 0.00 H new ATOM 0 HB ILE A 18 -4.573 -5.789 9.407 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -2.572 -5.375 7.149 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -4.310 -5.482 6.955 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -2.606 -4.515 10.121 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -2.640 -6.146 10.833 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -1.548 -5.791 9.474 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -3.565 -3.155 6.905 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -4.602 -3.448 8.321 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -2.837 -3.339 8.518 1.00 0.00 H new ATOM 261 N ASN A 19 -2.036 -8.665 10.082 1.00 0.00 N ATOM 262 CA ASN A 19 -1.665 -9.448 11.254 1.00 0.00 C ATOM 263 C ASN A 19 -0.454 -8.838 11.954 1.00 0.00 C ATOM 264 O ASN A 19 0.657 -8.857 11.422 1.00 0.00 O ATOM 265 CB ASN A 19 -1.364 -10.893 10.855 1.00 0.00 C ATOM 266 CG ASN A 19 -1.303 -11.823 12.050 1.00 0.00 C ATOM 267 OD1 ASN A 19 -1.767 -11.485 13.139 1.00 0.00 O ATOM 268 ND2 ASN A 19 -0.725 -13.002 11.854 1.00 0.00 N ATOM 0 H ASN A 19 -1.256 -8.423 9.471 1.00 0.00 H new ATOM 0 HA ASN A 19 -2.506 -9.439 11.947 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -2.131 -11.243 10.164 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -0.414 -10.929 10.321 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -0.652 -13.668 12.623 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -0.354 -13.241 10.935 1.00 0.00 H new ATOM 275 N GLU A 20 -0.675 -8.301 13.150 1.00 0.00 N ATOM 276 CA GLU A 20 0.400 -7.689 13.922 1.00 0.00 C ATOM 277 C GLU A 20 1.077 -8.708 14.836 1.00 0.00 C ATOM 278 O GLU A 20 1.954 -8.357 15.625 1.00 0.00 O ATOM 279 CB GLU A 20 -0.137 -6.520 14.749 1.00 0.00 C ATOM 280 CG GLU A 20 -0.734 -5.403 13.908 1.00 0.00 C ATOM 281 CD GLU A 20 -1.180 -4.218 14.742 1.00 0.00 C ATOM 282 OE1 GLU A 20 -1.245 -4.356 15.982 1.00 0.00 O ATOM 283 OE2 GLU A 20 -1.467 -3.153 14.156 1.00 0.00 O ATOM 0 H GLU A 20 -1.588 -8.277 13.605 1.00 0.00 H new ATOM 0 HA GLU A 20 1.144 -7.317 13.218 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -0.897 -6.891 15.437 1.00 0.00 H new ATOM 0 HB3 GLU A 20 0.672 -6.114 15.356 1.00 0.00 H new ATOM 0 HG2 GLU A 20 0.003 -5.071 13.177 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -1.586 -5.790 13.349 1.00 0.00 H new ATOM 290 N ASP A 21 0.677 -9.971 14.716 1.00 0.00 N ATOM 291 CA ASP A 21 1.258 -11.033 15.523 1.00 0.00 C ATOM 292 C ASP A 21 2.609 -11.452 14.955 1.00 0.00 C ATOM 293 O ASP A 21 3.413 -12.088 15.637 1.00 0.00 O ATOM 294 CB ASP A 21 0.318 -12.237 15.566 1.00 0.00 C ATOM 295 CG ASP A 21 -0.988 -11.927 16.271 1.00 0.00 C ATOM 296 OD1 ASP A 21 -1.046 -10.912 16.997 1.00 0.00 O ATOM 297 OD2 ASP A 21 -1.954 -12.701 16.098 1.00 0.00 O ATOM 0 H ASP A 21 -0.047 -10.281 14.067 1.00 0.00 H new ATOM 0 HA ASP A 21 1.402 -10.658 16.536 1.00 0.00 H new ATOM 0 HB2 ASP A 21 0.109 -12.567 14.549 1.00 0.00 H new ATOM 0 HB3 ASP A 21 0.814 -13.064 16.074 1.00 0.00 H new ATOM 302 N VAL A 22 2.850 -11.091 13.698 1.00 0.00 N ATOM 303 CA VAL A 22 4.095 -11.424 13.030 1.00 0.00 C ATOM 304 C VAL A 22 5.051 -10.237 13.036 1.00 0.00 C ATOM 305 O VAL A 22 4.631 -9.089 12.903 1.00 0.00 O ATOM 306 CB VAL A 22 3.856 -11.868 11.571 1.00 0.00 C ATOM 307 CG1 VAL A 22 3.750 -13.381 11.482 1.00 0.00 C ATOM 308 CG2 VAL A 22 2.615 -11.204 10.987 1.00 0.00 C ATOM 0 H VAL A 22 2.193 -10.565 13.122 1.00 0.00 H new ATOM 0 HA VAL A 22 4.538 -12.252 13.583 1.00 0.00 H new ATOM 0 HB VAL A 22 4.713 -11.548 10.979 1.00 0.00 H new ATOM 0 HG11 VAL A 22 3.582 -13.674 10.446 1.00 0.00 H new ATOM 0 HG12 VAL A 22 4.675 -13.832 11.841 1.00 0.00 H new ATOM 0 HG13 VAL A 22 2.917 -13.724 12.096 1.00 0.00 H new ATOM 0 HG21 VAL A 22 2.474 -11.537 9.959 1.00 0.00 H new ATOM 0 HG22 VAL A 22 1.743 -11.478 11.580 1.00 0.00 H new ATOM 0 HG23 VAL A 22 2.740 -10.121 11.004 1.00 0.00 H new ATOM 318 N SER A 23 6.340 -10.522 13.192 1.00 0.00 N ATOM 319 CA SER A 23 7.353 -9.475 13.211 1.00 0.00 C ATOM 320 C SER A 23 8.306 -9.618 12.022 1.00 0.00 C ATOM 321 O SER A 23 9.015 -10.617 11.909 1.00 0.00 O ATOM 322 CB SER A 23 8.138 -9.523 14.524 1.00 0.00 C ATOM 323 OG SER A 23 9.420 -8.936 14.379 1.00 0.00 O ATOM 0 H SER A 23 6.706 -11.467 13.307 1.00 0.00 H new ATOM 0 HA SER A 23 6.850 -8.511 13.133 1.00 0.00 H new ATOM 0 HB2 SER A 23 7.582 -9.000 15.302 1.00 0.00 H new ATOM 0 HB3 SER A 23 8.244 -10.558 14.849 1.00 0.00 H new ATOM 0 HG SER A 23 9.898 -8.979 15.233 1.00 0.00 H new ATOM 329 N PRO A 24 8.338 -8.622 11.114 1.00 0.00 N ATOM 330 CA PRO A 24 7.517 -7.415 11.204 1.00 0.00 C ATOM 331 C PRO A 24 6.092 -7.658 10.719 1.00 0.00 C ATOM 332 O PRO A 24 5.870 -8.423 9.781 1.00 0.00 O ATOM 333 CB PRO A 24 8.229 -6.410 10.283 1.00 0.00 C ATOM 334 CG PRO A 24 9.406 -7.129 9.695 1.00 0.00 C ATOM 335 CD PRO A 24 9.186 -8.598 9.921 1.00 0.00 C ATOM 0 HA PRO A 24 7.423 -7.067 12.233 1.00 0.00 H new ATOM 0 HB2 PRO A 24 7.558 -6.060 9.499 1.00 0.00 H new ATOM 0 HB3 PRO A 24 8.551 -5.532 10.843 1.00 0.00 H new ATOM 0 HG2 PRO A 24 9.497 -6.913 8.631 1.00 0.00 H new ATOM 0 HG3 PRO A 24 10.332 -6.801 10.167 1.00 0.00 H new ATOM 0 HD2 PRO A 24 8.697 -9.069 9.068 1.00 0.00 H new ATOM 0 HD3 PRO A 24 10.125 -9.127 10.082 1.00 0.00 H new ATOM 343 N ALA A 25 5.127 -7.000 11.360 1.00 0.00 N ATOM 344 CA ALA A 25 3.721 -7.148 10.984 1.00 0.00 C ATOM 345 C ALA A 25 3.548 -7.039 9.473 1.00 0.00 C ATOM 346 O ALA A 25 4.193 -6.215 8.824 1.00 0.00 O ATOM 347 CB ALA A 25 2.871 -6.104 11.693 1.00 0.00 C ATOM 0 H ALA A 25 5.291 -6.362 12.139 1.00 0.00 H new ATOM 0 HA ALA A 25 3.388 -8.139 11.293 1.00 0.00 H new ATOM 0 HB1 ALA A 25 1.827 -6.227 11.403 1.00 0.00 H new ATOM 0 HB2 ALA A 25 2.965 -6.229 12.772 1.00 0.00 H new ATOM 0 HB3 ALA A 25 3.211 -5.107 11.413 1.00 0.00 H new ATOM 353 N GLU A 26 2.687 -7.881 8.914 1.00 0.00 N ATOM 354 CA GLU A 26 2.451 -7.879 7.476 1.00 0.00 C ATOM 355 C GLU A 26 0.962 -7.915 7.150 1.00 0.00 C ATOM 356 O GLU A 26 0.128 -8.185 8.015 1.00 0.00 O ATOM 357 CB GLU A 26 3.151 -9.074 6.825 1.00 0.00 C ATOM 358 CG GLU A 26 4.619 -9.194 7.193 1.00 0.00 C ATOM 359 CD GLU A 26 5.352 -10.212 6.338 1.00 0.00 C ATOM 360 OE1 GLU A 26 5.189 -11.423 6.589 1.00 0.00 O ATOM 361 OE2 GLU A 26 6.088 -9.795 5.420 1.00 0.00 O ATOM 0 H GLU A 26 2.143 -8.571 9.432 1.00 0.00 H new ATOM 0 HA GLU A 26 2.862 -6.952 7.076 1.00 0.00 H new ATOM 0 HB2 GLU A 26 2.636 -9.989 7.117 1.00 0.00 H new ATOM 0 HB3 GLU A 26 3.062 -8.990 5.742 1.00 0.00 H new ATOM 0 HG2 GLU A 26 5.098 -8.221 7.084 1.00 0.00 H new ATOM 0 HG3 GLU A 26 4.705 -9.476 8.242 1.00 0.00 H new ATOM 368 N LEU A 27 0.645 -7.652 5.888 1.00 0.00 N ATOM 369 CA LEU A 27 -0.732 -7.661 5.416 1.00 0.00 C ATOM 370 C LEU A 27 -0.883 -8.684 4.296 1.00 0.00 C ATOM 371 O LEU A 27 -0.102 -8.691 3.345 1.00 0.00 O ATOM 372 CB LEU A 27 -1.133 -6.269 4.921 1.00 0.00 C ATOM 373 CG LEU A 27 -2.487 -6.196 4.209 1.00 0.00 C ATOM 374 CD1 LEU A 27 -3.077 -4.798 4.331 1.00 0.00 C ATOM 375 CD2 LEU A 27 -2.341 -6.591 2.746 1.00 0.00 C ATOM 0 H LEU A 27 1.331 -7.428 5.168 1.00 0.00 H new ATOM 0 HA LEU A 27 -1.389 -7.936 6.241 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -1.151 -5.589 5.773 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -0.362 -5.907 4.240 1.00 0.00 H new ATOM 0 HG LEU A 27 -3.169 -6.899 4.688 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -4.039 -4.763 3.820 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -3.217 -4.553 5.384 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -2.398 -4.076 3.877 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -3.312 -6.534 2.255 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -1.645 -5.912 2.254 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -1.961 -7.611 2.681 1.00 0.00 H new ATOM 387 N THR A 28 -1.872 -9.560 4.423 1.00 0.00 N ATOM 388 CA THR A 28 -2.091 -10.598 3.424 1.00 0.00 C ATOM 389 C THR A 28 -3.418 -10.421 2.695 1.00 0.00 C ATOM 390 O THR A 28 -4.476 -10.312 3.314 1.00 0.00 O ATOM 391 CB THR A 28 -2.046 -11.977 4.081 1.00 0.00 C ATOM 392 OG1 THR A 28 -0.834 -12.154 4.794 1.00 0.00 O ATOM 393 CG2 THR A 28 -2.166 -13.117 3.091 1.00 0.00 C ATOM 0 H THR A 28 -2.531 -9.573 5.202 1.00 0.00 H new ATOM 0 HA THR A 28 -1.292 -10.513 2.687 1.00 0.00 H new ATOM 0 HB THR A 28 -2.906 -12.006 4.750 1.00 0.00 H new ATOM 0 HG1 THR A 28 -0.825 -13.042 5.209 1.00 0.00 H new ATOM 0 HG21 THR A 28 -2.127 -14.067 3.624 1.00 0.00 H new ATOM 0 HG22 THR A 28 -3.114 -13.038 2.559 1.00 0.00 H new ATOM 0 HG23 THR A 28 -1.344 -13.067 2.377 1.00 0.00 H new ATOM 401 N TRP A 29 -3.344 -10.411 1.370 1.00 0.00 N ATOM 402 CA TRP A 29 -4.513 -10.273 0.526 1.00 0.00 C ATOM 403 C TRP A 29 -4.930 -11.637 -0.004 1.00 0.00 C ATOM 404 O TRP A 29 -4.111 -12.374 -0.552 1.00 0.00 O ATOM 405 CB TRP A 29 -4.201 -9.342 -0.643 1.00 0.00 C ATOM 406 CG TRP A 29 -5.323 -9.242 -1.624 1.00 0.00 C ATOM 407 CD1 TRP A 29 -6.510 -8.617 -1.424 1.00 0.00 C ATOM 408 CD2 TRP A 29 -5.371 -9.795 -2.943 1.00 0.00 C ATOM 409 NE1 TRP A 29 -7.299 -8.729 -2.541 1.00 0.00 N ATOM 410 CE2 TRP A 29 -6.623 -9.451 -3.490 1.00 0.00 C ATOM 411 CE3 TRP A 29 -4.479 -10.541 -3.717 1.00 0.00 C ATOM 412 CZ2 TRP A 29 -7.002 -9.829 -4.775 1.00 0.00 C ATOM 413 CZ3 TRP A 29 -4.857 -10.917 -4.992 1.00 0.00 C ATOM 414 CH2 TRP A 29 -6.107 -10.561 -5.509 1.00 0.00 C ATOM 0 H TRP A 29 -2.468 -10.499 0.854 1.00 0.00 H new ATOM 0 HA TRP A 29 -5.328 -9.851 1.113 1.00 0.00 H new ATOM 0 HB2 TRP A 29 -3.972 -8.348 -0.258 1.00 0.00 H new ATOM 0 HB3 TRP A 29 -3.308 -9.698 -1.156 1.00 0.00 H new ATOM 0 HD1 TRP A 29 -6.793 -8.105 -0.516 1.00 0.00 H new ATOM 0 HE1 TRP A 29 -8.235 -8.339 -2.648 1.00 0.00 H new ATOM 0 HE3 TRP A 29 -3.511 -10.819 -3.326 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 -7.966 -9.555 -5.178 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 -4.176 -11.495 -5.599 1.00 0.00 H new ATOM 0 HH2 TRP A 29 -6.372 -10.870 -6.509 1.00 0.00 H new ATOM 425 N ARG A 30 -6.202 -11.972 0.159 1.00 0.00 N ATOM 426 CA ARG A 30 -6.708 -13.255 -0.312 1.00 0.00 C ATOM 427 C ARG A 30 -7.875 -13.062 -1.270 1.00 0.00 C ATOM 428 O ARG A 30 -8.926 -12.551 -0.887 1.00 0.00 O ATOM 429 CB ARG A 30 -7.136 -14.124 0.871 1.00 0.00 C ATOM 430 CG ARG A 30 -7.627 -15.504 0.463 1.00 0.00 C ATOM 431 CD ARG A 30 -6.470 -16.435 0.141 1.00 0.00 C ATOM 432 NE ARG A 30 -6.931 -17.743 -0.319 1.00 0.00 N ATOM 433 CZ ARG A 30 -7.399 -18.690 0.488 1.00 0.00 C ATOM 434 NH1 ARG A 30 -7.472 -18.480 1.798 1.00 0.00 N ATOM 435 NH2 ARG A 30 -7.799 -19.851 -0.014 1.00 0.00 N ATOM 0 H ARG A 30 -6.899 -11.379 0.610 1.00 0.00 H new ATOM 0 HA ARG A 30 -5.905 -13.759 -0.849 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -6.294 -14.234 1.554 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -7.927 -13.613 1.420 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -8.225 -15.931 1.268 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -8.278 -15.417 -0.407 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -5.843 -15.981 -0.626 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -5.849 -16.561 1.028 1.00 0.00 H new ATOM 0 HE ARG A 30 -6.891 -17.941 -1.319 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -7.168 -17.588 2.189 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -7.832 -19.210 2.412 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -7.747 -20.017 -1.019 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -8.158 -20.578 0.605 1.00 0.00 H new ATOM 449 N SER A 31 -7.684 -13.473 -2.521 1.00 0.00 N ATOM 450 CA SER A 31 -8.724 -13.343 -3.540 1.00 0.00 C ATOM 451 C SER A 31 -10.079 -13.792 -3.001 1.00 0.00 C ATOM 452 O SER A 31 -10.155 -14.462 -1.972 1.00 0.00 O ATOM 453 CB SER A 31 -8.359 -14.167 -4.777 1.00 0.00 C ATOM 454 OG SER A 31 -9.417 -14.171 -5.718 1.00 0.00 O ATOM 0 H SER A 31 -6.819 -13.899 -2.854 1.00 0.00 H new ATOM 0 HA SER A 31 -8.795 -12.291 -3.816 1.00 0.00 H new ATOM 0 HB2 SER A 31 -7.460 -13.758 -5.238 1.00 0.00 H new ATOM 0 HB3 SER A 31 -8.128 -15.190 -4.481 1.00 0.00 H new ATOM 0 HG SER A 31 -9.158 -14.703 -6.499 1.00 0.00 H new ATOM 460 N THR A 32 -11.144 -13.427 -3.706 1.00 0.00 N ATOM 461 CA THR A 32 -12.487 -13.800 -3.299 1.00 0.00 C ATOM 462 C THR A 32 -12.699 -15.280 -3.549 1.00 0.00 C ATOM 463 O THR A 32 -13.285 -15.992 -2.734 1.00 0.00 O ATOM 464 CB THR A 32 -13.523 -12.980 -4.071 1.00 0.00 C ATOM 465 OG1 THR A 32 -12.891 -12.037 -4.917 1.00 0.00 O ATOM 466 CG2 THR A 32 -14.472 -12.223 -3.171 1.00 0.00 C ATOM 0 H THR A 32 -11.100 -12.873 -4.562 1.00 0.00 H new ATOM 0 HA THR A 32 -12.608 -13.594 -2.235 1.00 0.00 H new ATOM 0 HB THR A 32 -14.093 -13.707 -4.650 1.00 0.00 H new ATOM 0 HG1 THR A 32 -13.558 -11.406 -5.259 1.00 0.00 H new ATOM 0 HG21 THR A 32 -15.181 -11.662 -3.780 1.00 0.00 H new ATOM 0 HG22 THR A 32 -15.014 -12.927 -2.539 1.00 0.00 H new ATOM 0 HG23 THR A 32 -13.907 -11.533 -2.544 1.00 0.00 H new ATOM 474 N ASP A 33 -12.207 -15.725 -4.692 1.00 0.00 N ATOM 475 CA ASP A 33 -12.318 -17.114 -5.085 1.00 0.00 C ATOM 476 C ASP A 33 -11.223 -17.957 -4.434 1.00 0.00 C ATOM 477 O ASP A 33 -11.362 -19.174 -4.300 1.00 0.00 O ATOM 478 CB ASP A 33 -12.247 -17.246 -6.607 1.00 0.00 C ATOM 479 CG ASP A 33 -12.540 -18.657 -7.080 1.00 0.00 C ATOM 480 OD1 ASP A 33 -13.062 -19.457 -6.276 1.00 0.00 O ATOM 481 OD2 ASP A 33 -12.248 -18.961 -8.256 1.00 0.00 O ATOM 0 H ASP A 33 -11.722 -15.135 -5.369 1.00 0.00 H new ATOM 0 HA ASP A 33 -13.285 -17.484 -4.743 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -12.959 -16.558 -7.062 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -11.255 -16.950 -6.949 1.00 0.00 H new ATOM 486 N GLY A 34 -10.139 -17.303 -4.034 1.00 0.00 N ATOM 487 CA GLY A 34 -9.038 -18.005 -3.403 1.00 0.00 C ATOM 488 C GLY A 34 -8.026 -18.519 -4.409 1.00 0.00 C ATOM 489 O GLY A 34 -7.417 -19.569 -4.206 1.00 0.00 O ATOM 0 H GLY A 34 -10.003 -16.297 -4.136 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -8.540 -17.337 -2.700 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -9.429 -18.842 -2.825 1.00 0.00 H new ATOM 493 N ASP A 35 -7.848 -17.779 -5.499 1.00 0.00 N ATOM 494 CA ASP A 35 -6.906 -18.170 -6.543 1.00 0.00 C ATOM 495 C ASP A 35 -5.658 -17.291 -6.526 1.00 0.00 C ATOM 496 O ASP A 35 -4.615 -17.670 -7.058 1.00 0.00 O ATOM 497 CB ASP A 35 -7.577 -18.096 -7.916 1.00 0.00 C ATOM 498 CG ASP A 35 -8.696 -19.109 -8.069 1.00 0.00 C ATOM 499 OD1 ASP A 35 -8.750 -20.060 -7.261 1.00 0.00 O ATOM 500 OD2 ASP A 35 -9.517 -18.949 -8.995 1.00 0.00 O ATOM 0 H ASP A 35 -8.343 -16.906 -5.683 1.00 0.00 H new ATOM 0 HA ASP A 35 -6.599 -19.197 -6.346 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -7.975 -17.093 -8.069 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -6.830 -18.264 -8.692 1.00 0.00 H new ATOM 505 N LYS A 36 -5.769 -16.115 -5.917 1.00 0.00 N ATOM 506 CA LYS A 36 -4.645 -15.187 -5.840 1.00 0.00 C ATOM 507 C LYS A 36 -4.422 -14.712 -4.408 1.00 0.00 C ATOM 508 O LYS A 36 -5.370 -14.359 -3.706 1.00 0.00 O ATOM 509 CB LYS A 36 -4.885 -13.981 -6.752 1.00 0.00 C ATOM 510 CG LYS A 36 -5.509 -14.340 -8.092 1.00 0.00 C ATOM 511 CD LYS A 36 -4.761 -13.699 -9.251 1.00 0.00 C ATOM 512 CE LYS A 36 -4.705 -12.186 -9.113 1.00 0.00 C ATOM 513 NZ LYS A 36 -3.422 -11.730 -8.510 1.00 0.00 N ATOM 0 H LYS A 36 -6.623 -15.782 -5.470 1.00 0.00 H new ATOM 0 HA LYS A 36 -3.752 -15.717 -6.172 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -5.534 -13.272 -6.238 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -3.936 -13.475 -6.928 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -5.510 -15.423 -8.214 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -6.550 -14.016 -8.107 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -3.748 -14.098 -9.296 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -5.249 -13.961 -10.189 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -4.828 -11.727 -10.094 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -5.537 -11.847 -8.496 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -3.601 -11.353 -7.558 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -2.764 -12.533 -8.446 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -3.004 -10.986 -9.104 1.00 0.00 H new ATOM 527 N VAL A 37 -3.163 -14.702 -3.981 1.00 0.00 N ATOM 528 CA VAL A 37 -2.818 -14.265 -2.633 1.00 0.00 C ATOM 529 C VAL A 37 -1.549 -13.415 -2.640 1.00 0.00 C ATOM 530 O VAL A 37 -0.591 -13.718 -3.351 1.00 0.00 O ATOM 531 CB VAL A 37 -2.625 -15.465 -1.684 1.00 0.00 C ATOM 532 CG1 VAL A 37 -1.425 -16.303 -2.106 1.00 0.00 C ATOM 533 CG2 VAL A 37 -2.474 -14.988 -0.247 1.00 0.00 C ATOM 0 H VAL A 37 -2.366 -14.991 -4.548 1.00 0.00 H new ATOM 0 HA VAL A 37 -3.650 -13.662 -2.270 1.00 0.00 H new ATOM 0 HB VAL A 37 -3.512 -16.096 -1.744 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -1.309 -17.143 -1.422 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -1.581 -16.678 -3.118 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -0.525 -15.688 -2.081 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -2.339 -15.848 0.409 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -1.606 -14.333 -0.170 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -3.369 -14.441 0.051 1.00 0.00 H new ATOM 543 N HIS A 38 -1.551 -12.346 -1.850 1.00 0.00 N ATOM 544 CA HIS A 38 -0.401 -11.450 -1.767 1.00 0.00 C ATOM 545 C HIS A 38 -0.106 -11.059 -0.327 1.00 0.00 C ATOM 546 O HIS A 38 -1.012 -10.924 0.492 1.00 0.00 O ATOM 547 CB HIS A 38 -0.629 -10.192 -2.599 1.00 0.00 C ATOM 548 CG HIS A 38 0.591 -9.335 -2.734 1.00 0.00 C ATOM 549 ND1 HIS A 38 1.710 -9.721 -3.441 1.00 0.00 N ATOM 550 CD2 HIS A 38 0.866 -8.102 -2.246 1.00 0.00 C ATOM 551 CE1 HIS A 38 2.621 -8.765 -3.382 1.00 0.00 C ATOM 552 NE2 HIS A 38 2.132 -7.772 -2.662 1.00 0.00 N ATOM 0 H HIS A 38 -2.337 -12.078 -1.257 1.00 0.00 H new ATOM 0 HA HIS A 38 0.458 -11.991 -2.165 1.00 0.00 H new ATOM 0 HB2 HIS A 38 -0.972 -10.481 -3.593 1.00 0.00 H new ATOM 0 HB3 HIS A 38 -1.427 -9.605 -2.144 1.00 0.00 H new ATOM 0 HD2 HIS A 38 0.211 -7.492 -1.642 1.00 0.00 H new ATOM 0 HE1 HIS A 38 3.597 -8.792 -3.843 1.00 0.00 H new ATOM 0 HE2 HIS A 38 2.617 -6.900 -2.449 1.00 0.00 H new ATOM 561 N THR A 39 1.171 -10.880 -0.028 1.00 0.00 N ATOM 562 CA THR A 39 1.599 -10.502 1.316 1.00 0.00 C ATOM 563 C THR A 39 2.491 -9.265 1.280 1.00 0.00 C ATOM 564 O THR A 39 3.425 -9.183 0.483 1.00 0.00 O ATOM 565 CB THR A 39 2.342 -11.662 1.981 1.00 0.00 C ATOM 566 OG1 THR A 39 1.548 -12.834 1.977 1.00 0.00 O ATOM 567 CG2 THR A 39 2.736 -11.377 3.414 1.00 0.00 C ATOM 0 H THR A 39 1.933 -10.990 -0.697 1.00 0.00 H new ATOM 0 HA THR A 39 0.709 -10.266 1.899 1.00 0.00 H new ATOM 0 HB THR A 39 3.250 -11.799 1.393 1.00 0.00 H new ATOM 0 HG1 THR A 39 2.041 -13.565 2.405 1.00 0.00 H new ATOM 0 HG21 THR A 39 3.259 -12.240 3.826 1.00 0.00 H new ATOM 0 HG22 THR A 39 3.392 -10.507 3.445 1.00 0.00 H new ATOM 0 HG23 THR A 39 1.842 -11.179 4.005 1.00 0.00 H new ATOM 575 N VAL A 40 2.200 -8.305 2.154 1.00 0.00 N ATOM 576 CA VAL A 40 2.980 -7.073 2.228 1.00 0.00 C ATOM 577 C VAL A 40 3.520 -6.840 3.630 1.00 0.00 C ATOM 578 O VAL A 40 2.825 -7.063 4.622 1.00 0.00 O ATOM 579 CB VAL A 40 2.153 -5.833 1.831 1.00 0.00 C ATOM 580 CG1 VAL A 40 2.983 -4.563 2.000 1.00 0.00 C ATOM 581 CG2 VAL A 40 1.632 -5.956 0.408 1.00 0.00 C ATOM 0 H VAL A 40 1.430 -8.357 2.821 1.00 0.00 H new ATOM 0 HA VAL A 40 3.801 -7.203 1.523 1.00 0.00 H new ATOM 0 HB VAL A 40 1.291 -5.771 2.495 1.00 0.00 H new ATOM 0 HG11 VAL A 40 2.385 -3.697 1.716 1.00 0.00 H new ATOM 0 HG12 VAL A 40 3.291 -4.465 3.041 1.00 0.00 H new ATOM 0 HG13 VAL A 40 3.866 -4.618 1.364 1.00 0.00 H new ATOM 0 HG21 VAL A 40 1.053 -5.068 0.155 1.00 0.00 H new ATOM 0 HG22 VAL A 40 2.472 -6.050 -0.280 1.00 0.00 H new ATOM 0 HG23 VAL A 40 0.997 -6.838 0.328 1.00 0.00 H new ATOM 591 N VAL A 41 4.748 -6.353 3.704 1.00 0.00 N ATOM 592 CA VAL A 41 5.365 -6.047 4.983 1.00 0.00 C ATOM 593 C VAL A 41 4.948 -4.641 5.409 1.00 0.00 C ATOM 594 O VAL A 41 5.235 -3.662 4.722 1.00 0.00 O ATOM 595 CB VAL A 41 6.905 -6.145 4.895 1.00 0.00 C ATOM 596 CG1 VAL A 41 7.412 -5.436 3.649 1.00 0.00 C ATOM 597 CG2 VAL A 41 7.572 -5.600 6.155 1.00 0.00 C ATOM 0 H VAL A 41 5.337 -6.161 2.893 1.00 0.00 H new ATOM 0 HA VAL A 41 5.029 -6.774 5.723 1.00 0.00 H new ATOM 0 HB VAL A 41 7.173 -7.199 4.820 1.00 0.00 H new ATOM 0 HG11 VAL A 41 8.498 -5.514 3.602 1.00 0.00 H new ATOM 0 HG12 VAL A 41 6.976 -5.900 2.764 1.00 0.00 H new ATOM 0 HG13 VAL A 41 7.125 -4.385 3.686 1.00 0.00 H new ATOM 0 HG21 VAL A 41 8.655 -5.684 6.059 1.00 0.00 H new ATOM 0 HG22 VAL A 41 7.300 -4.553 6.287 1.00 0.00 H new ATOM 0 HG23 VAL A 41 7.239 -6.173 7.020 1.00 0.00 H new ATOM 607 N LEU A 42 4.244 -4.552 6.530 1.00 0.00 N ATOM 608 CA LEU A 42 3.758 -3.271 7.029 1.00 0.00 C ATOM 609 C LEU A 42 4.872 -2.442 7.668 1.00 0.00 C ATOM 610 O LEU A 42 4.826 -1.213 7.651 1.00 0.00 O ATOM 611 CB LEU A 42 2.631 -3.499 8.036 1.00 0.00 C ATOM 612 CG LEU A 42 1.457 -4.326 7.510 1.00 0.00 C ATOM 613 CD1 LEU A 42 0.372 -4.448 8.567 1.00 0.00 C ATOM 614 CD2 LEU A 42 0.900 -3.706 6.237 1.00 0.00 C ATOM 0 H LEU A 42 3.996 -5.352 7.112 1.00 0.00 H new ATOM 0 HA LEU A 42 3.381 -2.707 6.176 1.00 0.00 H new ATOM 0 HB2 LEU A 42 3.043 -3.996 8.914 1.00 0.00 H new ATOM 0 HB3 LEU A 42 2.256 -2.530 8.365 1.00 0.00 H new ATOM 0 HG LEU A 42 1.818 -5.328 7.276 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -0.454 -5.040 8.173 1.00 0.00 H new ATOM 0 HD12 LEU A 42 0.779 -4.937 9.452 1.00 0.00 H new ATOM 0 HD13 LEU A 42 0.012 -3.455 8.835 1.00 0.00 H new ATOM 0 HD21 LEU A 42 0.065 -4.306 5.875 1.00 0.00 H new ATOM 0 HD22 LEU A 42 0.555 -2.693 6.446 1.00 0.00 H new ATOM 0 HD23 LEU A 42 1.680 -3.674 5.476 1.00 0.00 H new ATOM 626 N SER A 43 5.857 -3.119 8.244 1.00 0.00 N ATOM 627 CA SER A 43 6.969 -2.442 8.908 1.00 0.00 C ATOM 628 C SER A 43 7.687 -1.467 7.977 1.00 0.00 C ATOM 629 O SER A 43 8.361 -0.547 8.439 1.00 0.00 O ATOM 630 CB SER A 43 7.963 -3.466 9.455 1.00 0.00 C ATOM 631 OG SER A 43 8.425 -4.327 8.428 1.00 0.00 O ATOM 0 H SER A 43 5.911 -4.137 8.266 1.00 0.00 H new ATOM 0 HA SER A 43 6.549 -1.865 9.732 1.00 0.00 H new ATOM 0 HB2 SER A 43 8.809 -2.950 9.909 1.00 0.00 H new ATOM 0 HB3 SER A 43 7.489 -4.054 10.241 1.00 0.00 H new ATOM 0 HG SER A 43 9.337 -4.621 8.633 1.00 0.00 H new ATOM 637 N THR A 44 7.547 -1.669 6.675 1.00 0.00 N ATOM 638 CA THR A 44 8.198 -0.797 5.699 1.00 0.00 C ATOM 639 C THR A 44 7.268 0.321 5.250 1.00 0.00 C ATOM 640 O THR A 44 7.721 1.379 4.813 1.00 0.00 O ATOM 641 CB THR A 44 8.678 -1.596 4.481 1.00 0.00 C ATOM 642 OG1 THR A 44 7.773 -1.466 3.397 1.00 0.00 O ATOM 643 CG2 THR A 44 8.843 -3.071 4.756 1.00 0.00 C ATOM 0 H THR A 44 6.993 -2.423 6.268 1.00 0.00 H new ATOM 0 HA THR A 44 9.063 -0.351 6.190 1.00 0.00 H new ATOM 0 HB THR A 44 9.653 -1.174 4.236 1.00 0.00 H new ATOM 0 HG1 THR A 44 8.102 -1.983 2.632 1.00 0.00 H new ATOM 0 HG21 THR A 44 9.185 -3.574 3.851 1.00 0.00 H new ATOM 0 HG22 THR A 44 9.577 -3.213 5.549 1.00 0.00 H new ATOM 0 HG23 THR A 44 7.887 -3.492 5.066 1.00 0.00 H new ATOM 651 N ILE A 45 5.966 0.083 5.357 1.00 0.00 N ATOM 652 CA ILE A 45 4.972 1.071 4.956 1.00 0.00 C ATOM 653 C ILE A 45 5.261 2.425 5.596 1.00 0.00 C ATOM 654 O ILE A 45 4.845 2.695 6.721 1.00 0.00 O ATOM 655 CB ILE A 45 3.545 0.619 5.325 1.00 0.00 C ATOM 656 CG1 ILE A 45 3.240 -0.733 4.681 1.00 0.00 C ATOM 657 CG2 ILE A 45 2.523 1.661 4.890 1.00 0.00 C ATOM 658 CD1 ILE A 45 3.218 -0.691 3.168 1.00 0.00 C ATOM 0 H ILE A 45 5.574 -0.786 5.718 1.00 0.00 H new ATOM 0 HA ILE A 45 5.035 1.168 3.872 1.00 0.00 H new ATOM 0 HB ILE A 45 3.482 0.513 6.408 1.00 0.00 H new ATOM 0 HG12 ILE A 45 3.987 -1.458 5.005 1.00 0.00 H new ATOM 0 HG13 ILE A 45 2.274 -1.088 5.041 1.00 0.00 H new ATOM 0 HG21 ILE A 45 1.522 1.324 5.159 1.00 0.00 H new ATOM 0 HG22 ILE A 45 2.733 2.607 5.389 1.00 0.00 H new ATOM 0 HG23 ILE A 45 2.581 1.799 3.810 1.00 0.00 H new ATOM 0 HD11 ILE A 45 2.996 -1.685 2.780 1.00 0.00 H new ATOM 0 HD12 ILE A 45 2.452 0.009 2.835 1.00 0.00 H new ATOM 0 HD13 ILE A 45 4.191 -0.367 2.799 1.00 0.00 H new ATOM 670 N ASP A 46 5.987 3.264 4.866 1.00 0.00 N ATOM 671 CA ASP A 46 6.350 4.586 5.353 1.00 0.00 C ATOM 672 C ASP A 46 5.181 5.561 5.249 1.00 0.00 C ATOM 673 O ASP A 46 5.099 6.521 6.015 1.00 0.00 O ATOM 674 CB ASP A 46 7.547 5.128 4.572 1.00 0.00 C ATOM 675 CG ASP A 46 8.090 6.414 5.161 1.00 0.00 C ATOM 676 OD1 ASP A 46 7.731 6.740 6.311 1.00 0.00 O ATOM 677 OD2 ASP A 46 8.877 7.098 4.471 1.00 0.00 O ATOM 0 H ASP A 46 6.336 3.049 3.932 1.00 0.00 H new ATOM 0 HA ASP A 46 6.618 4.488 6.405 1.00 0.00 H new ATOM 0 HB2 ASP A 46 8.337 4.377 4.557 1.00 0.00 H new ATOM 0 HB3 ASP A 46 7.253 5.302 3.537 1.00 0.00 H new ATOM 682 N LYS A 47 4.283 5.326 4.294 1.00 0.00 N ATOM 683 CA LYS A 47 3.145 6.208 4.109 1.00 0.00 C ATOM 684 C LYS A 47 1.876 5.420 3.787 1.00 0.00 C ATOM 685 O LYS A 47 1.933 4.283 3.317 1.00 0.00 O ATOM 686 CB LYS A 47 3.447 7.210 2.987 1.00 0.00 C ATOM 687 CG LYS A 47 2.321 7.369 1.984 1.00 0.00 C ATOM 688 CD LYS A 47 2.655 8.401 0.915 1.00 0.00 C ATOM 689 CE LYS A 47 3.994 8.118 0.251 1.00 0.00 C ATOM 690 NZ LYS A 47 5.063 9.031 0.745 1.00 0.00 N ATOM 0 H LYS A 47 4.325 4.540 3.646 1.00 0.00 H new ATOM 0 HA LYS A 47 2.973 6.746 5.041 1.00 0.00 H new ATOM 0 HB2 LYS A 47 3.665 8.182 3.430 1.00 0.00 H new ATOM 0 HB3 LYS A 47 4.346 6.891 2.461 1.00 0.00 H new ATOM 0 HG2 LYS A 47 2.118 6.408 1.511 1.00 0.00 H new ATOM 0 HG3 LYS A 47 1.411 7.667 2.504 1.00 0.00 H new ATOM 0 HD2 LYS A 47 1.869 8.408 0.159 1.00 0.00 H new ATOM 0 HD3 LYS A 47 2.675 9.394 1.363 1.00 0.00 H new ATOM 0 HE2 LYS A 47 4.283 7.084 0.442 1.00 0.00 H new ATOM 0 HE3 LYS A 47 3.894 8.227 -0.829 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 5.959 8.806 0.268 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 4.800 10.016 0.540 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 5.177 8.909 1.772 1.00 0.00 H new ATOM 704 N LEU A 48 0.734 6.055 4.022 1.00 0.00 N ATOM 705 CA LEU A 48 -0.559 5.453 3.742 1.00 0.00 C ATOM 706 C LEU A 48 -1.387 6.384 2.869 1.00 0.00 C ATOM 707 O LEU A 48 -1.611 7.543 3.218 1.00 0.00 O ATOM 708 CB LEU A 48 -1.308 5.153 5.041 1.00 0.00 C ATOM 709 CG LEU A 48 -0.818 3.920 5.796 1.00 0.00 C ATOM 710 CD1 LEU A 48 -1.663 3.688 7.040 1.00 0.00 C ATOM 711 CD2 LEU A 48 -0.846 2.697 4.890 1.00 0.00 C ATOM 0 H LEU A 48 0.680 6.997 4.410 1.00 0.00 H new ATOM 0 HA LEU A 48 -0.396 4.514 3.212 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -1.227 6.019 5.698 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -2.366 5.024 4.812 1.00 0.00 H new ATOM 0 HG LEU A 48 0.212 4.091 6.109 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -1.300 2.805 7.567 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -1.592 4.556 7.695 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -2.703 3.536 6.750 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -0.494 1.826 5.443 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -1.866 2.521 4.548 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -0.199 2.867 4.030 1.00 0.00 H new ATOM 723 N GLN A 49 -1.836 5.876 1.729 1.00 0.00 N ATOM 724 CA GLN A 49 -2.634 6.670 0.806 1.00 0.00 C ATOM 725 C GLN A 49 -3.995 6.031 0.574 1.00 0.00 C ATOM 726 O GLN A 49 -4.102 4.818 0.405 1.00 0.00 O ATOM 727 CB GLN A 49 -1.898 6.833 -0.524 1.00 0.00 C ATOM 728 CG GLN A 49 -0.827 7.912 -0.499 1.00 0.00 C ATOM 729 CD GLN A 49 -0.069 8.011 -1.809 1.00 0.00 C ATOM 730 OE1 GLN A 49 -0.106 7.097 -2.631 1.00 0.00 O ATOM 731 NE2 GLN A 49 0.626 9.125 -2.007 1.00 0.00 N ATOM 0 H GLN A 49 -1.661 4.919 1.422 1.00 0.00 H new ATOM 0 HA GLN A 49 -2.789 7.653 1.251 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -1.438 5.882 -0.794 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -2.622 7.070 -1.304 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -1.290 8.874 -0.278 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -0.125 7.703 0.308 1.00 0.00 H new ATOM 0 HE21 GLN A 49 0.628 9.858 -1.297 1.00 0.00 H new ATOM 0 HE22 GLN A 49 1.158 9.248 -2.869 1.00 0.00 H new ATOM 740 N ALA A 50 -5.035 6.855 0.571 1.00 0.00 N ATOM 741 CA ALA A 50 -6.390 6.369 0.360 1.00 0.00 C ATOM 742 C ALA A 50 -7.241 7.410 -0.352 1.00 0.00 C ATOM 743 O ALA A 50 -7.014 8.612 -0.219 1.00 0.00 O ATOM 744 CB ALA A 50 -7.026 5.987 1.687 1.00 0.00 C ATOM 0 H ALA A 50 -4.965 7.863 0.712 1.00 0.00 H new ATOM 0 HA ALA A 50 -6.337 5.484 -0.274 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -8.040 5.625 1.514 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -6.436 5.202 2.160 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -7.059 6.860 2.339 1.00 0.00 H new ATOM 750 N THR A 51 -8.227 6.940 -1.105 1.00 0.00 N ATOM 751 CA THR A 51 -9.120 7.833 -1.835 1.00 0.00 C ATOM 752 C THR A 51 -10.123 8.482 -0.881 1.00 0.00 C ATOM 753 O THR A 51 -10.809 7.790 -0.129 1.00 0.00 O ATOM 754 CB THR A 51 -9.859 7.066 -2.932 1.00 0.00 C ATOM 755 OG1 THR A 51 -10.569 5.970 -2.384 1.00 0.00 O ATOM 756 CG2 THR A 51 -8.942 6.527 -4.009 1.00 0.00 C ATOM 0 H THR A 51 -8.429 5.948 -1.227 1.00 0.00 H new ATOM 0 HA THR A 51 -8.520 8.617 -2.298 1.00 0.00 H new ATOM 0 HB THR A 51 -10.536 7.790 -3.385 1.00 0.00 H new ATOM 0 HG1 THR A 51 -10.917 6.214 -1.501 1.00 0.00 H new ATOM 0 HG21 THR A 51 -9.531 5.994 -4.755 1.00 0.00 H new ATOM 0 HG22 THR A 51 -8.415 7.354 -4.485 1.00 0.00 H new ATOM 0 HG23 THR A 51 -8.218 5.845 -3.563 1.00 0.00 H new ATOM 764 N PRO A 52 -10.221 9.825 -0.893 1.00 0.00 N ATOM 765 CA PRO A 52 -11.145 10.558 -0.017 1.00 0.00 C ATOM 766 C PRO A 52 -12.599 10.161 -0.240 1.00 0.00 C ATOM 767 O PRO A 52 -12.966 9.682 -1.313 1.00 0.00 O ATOM 768 CB PRO A 52 -10.926 12.029 -0.398 1.00 0.00 C ATOM 769 CG PRO A 52 -10.259 11.994 -1.730 1.00 0.00 C ATOM 770 CD PRO A 52 -9.443 10.735 -1.749 1.00 0.00 C ATOM 0 HA PRO A 52 -10.951 10.347 1.035 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -11.872 12.568 -0.446 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -10.306 12.538 0.339 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -10.994 11.995 -2.535 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -9.628 12.871 -1.874 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -9.331 10.342 -2.759 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -8.439 10.898 -1.357 1.00 0.00 H new ATOM 778 N ALA A 53 -13.425 10.365 0.782 1.00 0.00 N ATOM 779 CA ALA A 53 -14.841 10.030 0.704 1.00 0.00 C ATOM 780 C ALA A 53 -15.530 10.814 -0.408 1.00 0.00 C ATOM 781 O ALA A 53 -16.330 10.263 -1.164 1.00 0.00 O ATOM 782 CB ALA A 53 -15.520 10.295 2.038 1.00 0.00 C ATOM 0 H ALA A 53 -13.136 10.762 1.676 1.00 0.00 H new ATOM 0 HA ALA A 53 -14.926 8.969 0.471 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -16.577 10.040 1.965 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -15.053 9.686 2.812 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -15.418 11.349 2.295 1.00 0.00 H new ATOM 788 N SER A 54 -15.211 12.100 -0.505 1.00 0.00 N ATOM 789 CA SER A 54 -15.799 12.956 -1.530 1.00 0.00 C ATOM 790 C SER A 54 -15.479 12.427 -2.923 1.00 0.00 C ATOM 791 O SER A 54 -16.231 12.645 -3.873 1.00 0.00 O ATOM 792 CB SER A 54 -15.289 14.391 -1.383 1.00 0.00 C ATOM 793 OG SER A 54 -13.890 14.458 -1.589 1.00 0.00 O ATOM 0 H SER A 54 -14.550 12.572 0.112 1.00 0.00 H new ATOM 0 HA SER A 54 -16.881 12.951 -1.398 1.00 0.00 H new ATOM 0 HB2 SER A 54 -15.797 15.036 -2.100 1.00 0.00 H new ATOM 0 HB3 SER A 54 -15.532 14.767 -0.389 1.00 0.00 H new ATOM 0 HG SER A 54 -13.564 15.347 -1.337 1.00 0.00 H new ATOM 799 N SER A 55 -14.356 11.729 -3.033 1.00 0.00 N ATOM 800 CA SER A 55 -13.924 11.160 -4.296 1.00 0.00 C ATOM 801 C SER A 55 -14.653 9.857 -4.583 1.00 0.00 C ATOM 802 O SER A 55 -14.567 8.903 -3.810 1.00 0.00 O ATOM 803 CB SER A 55 -12.415 10.918 -4.281 1.00 0.00 C ATOM 804 OG SER A 55 -12.005 10.173 -5.415 1.00 0.00 O ATOM 0 H SER A 55 -13.725 11.544 -2.253 1.00 0.00 H new ATOM 0 HA SER A 55 -14.164 11.872 -5.086 1.00 0.00 H new ATOM 0 HB2 SER A 55 -11.891 11.873 -4.261 1.00 0.00 H new ATOM 0 HB3 SER A 55 -12.139 10.384 -3.372 1.00 0.00 H new ATOM 0 HG SER A 55 -11.036 10.033 -5.382 1.00 0.00 H new ATOM 810 N GLU A 56 -15.361 9.820 -5.705 1.00 0.00 N ATOM 811 CA GLU A 56 -16.092 8.625 -6.102 1.00 0.00 C ATOM 812 C GLU A 56 -15.147 7.431 -6.192 1.00 0.00 C ATOM 813 O GLU A 56 -15.580 6.278 -6.170 1.00 0.00 O ATOM 814 CB GLU A 56 -16.782 8.846 -7.449 1.00 0.00 C ATOM 815 CG GLU A 56 -17.835 9.941 -7.421 1.00 0.00 C ATOM 816 CD GLU A 56 -18.551 10.099 -8.749 1.00 0.00 C ATOM 817 OE1 GLU A 56 -18.076 9.527 -9.752 1.00 0.00 O ATOM 818 OE2 GLU A 56 -19.589 10.794 -8.785 1.00 0.00 O ATOM 0 H GLU A 56 -15.444 10.602 -6.354 1.00 0.00 H new ATOM 0 HA GLU A 56 -16.851 8.419 -5.347 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -16.029 9.096 -8.197 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -17.248 7.913 -7.766 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -18.565 9.717 -6.644 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -17.363 10.886 -7.153 1.00 0.00 H new ATOM 825 N LYS A 57 -13.850 7.718 -6.286 1.00 0.00 N ATOM 826 CA LYS A 57 -12.841 6.672 -6.374 1.00 0.00 C ATOM 827 C LYS A 57 -12.769 5.875 -5.074 1.00 0.00 C ATOM 828 O LYS A 57 -13.153 6.366 -4.012 1.00 0.00 O ATOM 829 CB LYS A 57 -11.473 7.278 -6.690 1.00 0.00 C ATOM 830 CG LYS A 57 -11.476 8.178 -7.917 1.00 0.00 C ATOM 831 CD LYS A 57 -11.978 7.441 -9.147 1.00 0.00 C ATOM 832 CE LYS A 57 -11.640 8.192 -10.424 1.00 0.00 C ATOM 833 NZ LYS A 57 -11.389 7.266 -11.564 1.00 0.00 N ATOM 0 H LYS A 57 -13.476 8.667 -6.303 1.00 0.00 H new ATOM 0 HA LYS A 57 -13.125 5.995 -7.180 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -11.131 7.852 -5.829 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -10.754 6.473 -6.842 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -12.106 9.048 -7.730 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -10.467 8.549 -8.100 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -11.536 6.445 -9.181 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -13.058 7.308 -9.077 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -12.459 8.865 -10.677 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -10.758 8.811 -10.258 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -10.847 7.761 -12.300 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -10.848 6.443 -11.230 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -12.297 6.947 -11.958 1.00 0.00 H new ATOM 847 N MET A 58 -12.278 4.645 -5.167 1.00 0.00 N ATOM 848 CA MET A 58 -12.157 3.775 -4.003 1.00 0.00 C ATOM 849 C MET A 58 -10.886 2.937 -4.085 1.00 0.00 C ATOM 850 O MET A 58 -10.897 1.835 -4.634 1.00 0.00 O ATOM 851 CB MET A 58 -13.376 2.860 -3.904 1.00 0.00 C ATOM 852 CG MET A 58 -14.699 3.608 -3.906 1.00 0.00 C ATOM 853 SD MET A 58 -16.070 2.591 -3.331 1.00 0.00 S ATOM 854 CE MET A 58 -15.428 2.031 -1.756 1.00 0.00 C ATOM 0 H MET A 58 -11.956 4.226 -6.040 1.00 0.00 H new ATOM 0 HA MET A 58 -12.103 4.400 -3.112 1.00 0.00 H new ATOM 0 HB2 MET A 58 -13.363 2.159 -4.739 1.00 0.00 H new ATOM 0 HB3 MET A 58 -13.303 2.269 -2.991 1.00 0.00 H new ATOM 0 HG2 MET A 58 -14.614 4.490 -3.271 1.00 0.00 H new ATOM 0 HG3 MET A 58 -14.911 3.961 -4.915 1.00 0.00 H new ATOM 0 HE1 MET A 58 -16.256 1.817 -1.081 1.00 0.00 H new ATOM 0 HE2 MET A 58 -14.838 1.127 -1.904 1.00 0.00 H new ATOM 0 HE3 MET A 58 -14.798 2.808 -1.323 1.00 0.00 H new ATOM 864 N MET A 59 -9.789 3.461 -3.545 1.00 0.00 N ATOM 865 CA MET A 59 -8.518 2.747 -3.575 1.00 0.00 C ATOM 866 C MET A 59 -7.590 3.194 -2.450 1.00 0.00 C ATOM 867 O MET A 59 -7.710 4.304 -1.931 1.00 0.00 O ATOM 868 CB MET A 59 -7.834 2.950 -4.928 1.00 0.00 C ATOM 869 CG MET A 59 -8.686 2.514 -6.108 1.00 0.00 C ATOM 870 SD MET A 59 -7.765 2.500 -7.659 1.00 0.00 S ATOM 871 CE MET A 59 -7.100 4.164 -7.669 1.00 0.00 C ATOM 0 H MET A 59 -9.755 4.371 -3.085 1.00 0.00 H new ATOM 0 HA MET A 59 -8.731 1.688 -3.429 1.00 0.00 H new ATOM 0 HB2 MET A 59 -7.579 4.004 -5.043 1.00 0.00 H new ATOM 0 HB3 MET A 59 -6.897 2.392 -4.940 1.00 0.00 H new ATOM 0 HG2 MET A 59 -9.083 1.517 -5.916 1.00 0.00 H new ATOM 0 HG3 MET A 59 -9.540 3.185 -6.203 1.00 0.00 H new ATOM 0 HE1 MET A 59 -6.687 4.385 -8.653 1.00 0.00 H new ATOM 0 HE2 MET A 59 -7.894 4.875 -7.441 1.00 0.00 H new ATOM 0 HE3 MET A 59 -6.313 4.246 -6.919 1.00 0.00 H new ATOM 881 N LEU A 60 -6.660 2.316 -2.087 1.00 0.00 N ATOM 882 CA LEU A 60 -5.696 2.603 -1.030 1.00 0.00 C ATOM 883 C LEU A 60 -4.280 2.262 -1.494 1.00 0.00 C ATOM 884 O LEU A 60 -4.008 1.133 -1.902 1.00 0.00 O ATOM 885 CB LEU A 60 -6.038 1.807 0.232 1.00 0.00 C ATOM 886 CG LEU A 60 -6.150 2.639 1.513 1.00 0.00 C ATOM 887 CD1 LEU A 60 -7.609 2.831 1.896 1.00 0.00 C ATOM 888 CD2 LEU A 60 -5.381 1.981 2.650 1.00 0.00 C ATOM 0 H LEU A 60 -6.553 1.395 -2.512 1.00 0.00 H new ATOM 0 HA LEU A 60 -5.744 3.667 -0.799 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -6.983 1.288 0.071 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -5.275 1.043 0.379 1.00 0.00 H new ATOM 0 HG LEU A 60 -5.710 3.619 1.326 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -7.671 3.424 2.808 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -8.131 3.348 1.091 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -8.072 1.859 2.064 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -5.473 2.588 3.551 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -5.789 0.988 2.838 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -4.329 1.895 2.376 1.00 0.00 H new ATOM 900 N ARG A 61 -3.385 3.243 -1.433 1.00 0.00 N ATOM 901 CA ARG A 61 -2.001 3.038 -1.854 1.00 0.00 C ATOM 902 C ARG A 61 -1.055 2.997 -0.654 1.00 0.00 C ATOM 903 O ARG A 61 -1.052 3.903 0.178 1.00 0.00 O ATOM 904 CB ARG A 61 -1.571 4.143 -2.821 1.00 0.00 C ATOM 905 CG ARG A 61 -2.079 3.941 -4.239 1.00 0.00 C ATOM 906 CD ARG A 61 -1.653 5.081 -5.150 1.00 0.00 C ATOM 907 NE ARG A 61 -0.249 4.973 -5.541 1.00 0.00 N ATOM 908 CZ ARG A 61 0.278 5.598 -6.593 1.00 0.00 C ATOM 909 NH1 ARG A 61 -0.477 6.375 -7.358 1.00 0.00 N ATOM 910 NH2 ARG A 61 1.563 5.444 -6.878 1.00 0.00 N ATOM 0 H ARG A 61 -3.591 4.184 -1.098 1.00 0.00 H new ATOM 0 HA ARG A 61 -1.946 2.075 -2.362 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -1.931 5.102 -2.448 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -0.482 4.196 -2.838 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -1.699 2.998 -4.632 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -3.166 3.868 -4.230 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -2.279 5.085 -6.042 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -1.816 6.032 -4.642 1.00 0.00 H new ATOM 0 HE ARG A 61 0.363 4.385 -4.976 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -1.466 6.497 -7.142 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -0.068 6.851 -8.162 1.00 0.00 H new ATOM 0 HH21 ARG A 61 2.147 4.848 -6.292 1.00 0.00 H new ATOM 0 HH22 ARG A 61 1.968 5.922 -7.683 1.00 0.00 H new ATOM 924 N LEU A 62 -0.254 1.936 -0.575 1.00 0.00 N ATOM 925 CA LEU A 62 0.699 1.769 0.522 1.00 0.00 C ATOM 926 C LEU A 62 2.136 1.909 0.023 1.00 0.00 C ATOM 927 O LEU A 62 2.561 1.179 -0.874 1.00 0.00 O ATOM 928 CB LEU A 62 0.528 0.390 1.173 1.00 0.00 C ATOM 929 CG LEU A 62 -0.777 0.152 1.947 1.00 0.00 C ATOM 930 CD1 LEU A 62 -1.871 1.120 1.517 1.00 0.00 C ATOM 931 CD2 LEU A 62 -1.239 -1.286 1.757 1.00 0.00 C ATOM 0 H LEU A 62 -0.246 1.178 -1.258 1.00 0.00 H new ATOM 0 HA LEU A 62 0.499 2.549 1.257 1.00 0.00 H new ATOM 0 HB2 LEU A 62 0.604 -0.367 0.392 1.00 0.00 H new ATOM 0 HB3 LEU A 62 1.363 0.229 1.855 1.00 0.00 H new ATOM 0 HG LEU A 62 -0.577 0.331 3.004 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -2.778 0.920 2.087 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -1.545 2.143 1.702 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -2.074 0.990 0.454 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -2.165 -1.447 2.309 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -1.411 -1.476 0.697 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -0.473 -1.966 2.128 1.00 0.00 H new ATOM 943 N ILE A 63 2.887 2.835 0.612 1.00 0.00 N ATOM 944 CA ILE A 63 4.277 3.044 0.223 1.00 0.00 C ATOM 945 C ILE A 63 5.230 2.573 1.315 1.00 0.00 C ATOM 946 O ILE A 63 5.019 2.845 2.497 1.00 0.00 O ATOM 947 CB ILE A 63 4.565 4.526 -0.101 1.00 0.00 C ATOM 948 CG1 ILE A 63 3.828 4.934 -1.371 1.00 0.00 C ATOM 949 CG2 ILE A 63 6.060 4.765 -0.266 1.00 0.00 C ATOM 950 CD1 ILE A 63 2.500 5.590 -1.118 1.00 0.00 C ATOM 0 H ILE A 63 2.558 3.450 1.357 1.00 0.00 H new ATOM 0 HA ILE A 63 4.441 2.453 -0.678 1.00 0.00 H new ATOM 0 HB ILE A 63 4.211 5.134 0.731 1.00 0.00 H new ATOM 0 HG12 ILE A 63 4.457 5.617 -1.941 1.00 0.00 H new ATOM 0 HG13 ILE A 63 3.674 4.050 -1.990 1.00 0.00 H new ATOM 0 HG21 ILE A 63 6.237 5.816 -0.494 1.00 0.00 H new ATOM 0 HG22 ILE A 63 6.575 4.502 0.658 1.00 0.00 H new ATOM 0 HG23 ILE A 63 6.439 4.148 -1.081 1.00 0.00 H new ATOM 0 HD11 ILE A 63 2.036 5.851 -2.069 1.00 0.00 H new ATOM 0 HD12 ILE A 63 1.852 4.902 -0.575 1.00 0.00 H new ATOM 0 HD13 ILE A 63 2.647 6.493 -0.526 1.00 0.00 H new ATOM 962 N GLY A 64 6.282 1.873 0.906 1.00 0.00 N ATOM 963 CA GLY A 64 7.259 1.378 1.857 1.00 0.00 C ATOM 964 C GLY A 64 8.430 2.324 2.026 1.00 0.00 C ATOM 965 O GLY A 64 8.393 3.459 1.549 1.00 0.00 O ATOM 0 H GLY A 64 6.476 1.639 -0.068 1.00 0.00 H new ATOM 0 HA2 GLY A 64 6.777 1.224 2.823 1.00 0.00 H new ATOM 0 HA3 GLY A 64 7.625 0.406 1.525 1.00 0.00 H new ATOM 969 N LYS A 65 9.474 1.860 2.706 1.00 0.00 N ATOM 970 CA LYS A 65 10.659 2.676 2.933 1.00 0.00 C ATOM 971 C LYS A 65 11.556 2.684 1.699 1.00 0.00 C ATOM 972 O LYS A 65 11.681 1.675 1.005 1.00 0.00 O ATOM 973 CB LYS A 65 11.440 2.156 4.142 1.00 0.00 C ATOM 974 CG LYS A 65 10.589 2.003 5.394 1.00 0.00 C ATOM 975 CD LYS A 65 11.267 2.609 6.611 1.00 0.00 C ATOM 976 CE LYS A 65 10.704 3.985 6.933 1.00 0.00 C ATOM 977 NZ LYS A 65 11.026 4.403 8.326 1.00 0.00 N ATOM 0 H LYS A 65 9.522 0.924 3.109 1.00 0.00 H new ATOM 0 HA LYS A 65 10.334 3.697 3.132 1.00 0.00 H new ATOM 0 HB2 LYS A 65 11.881 1.191 3.892 1.00 0.00 H new ATOM 0 HB3 LYS A 65 12.264 2.838 4.353 1.00 0.00 H new ATOM 0 HG2 LYS A 65 9.623 2.483 5.239 1.00 0.00 H new ATOM 0 HG3 LYS A 65 10.394 0.946 5.575 1.00 0.00 H new ATOM 0 HD2 LYS A 65 11.134 1.950 7.469 1.00 0.00 H new ATOM 0 HD3 LYS A 65 12.339 2.686 6.431 1.00 0.00 H new ATOM 0 HE2 LYS A 65 11.107 4.716 6.232 1.00 0.00 H new ATOM 0 HE3 LYS A 65 9.623 3.976 6.797 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 10.625 5.345 8.507 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 10.620 3.719 8.996 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 12.058 4.436 8.449 1.00 0.00 H new ATOM 991 N VAL A 66 12.176 3.828 1.430 1.00 0.00 N ATOM 992 CA VAL A 66 13.059 3.965 0.278 1.00 0.00 C ATOM 993 C VAL A 66 14.525 3.846 0.693 1.00 0.00 C ATOM 994 O VAL A 66 14.839 3.347 1.773 1.00 0.00 O ATOM 995 CB VAL A 66 12.816 5.310 -0.453 1.00 0.00 C ATOM 996 CG1 VAL A 66 13.620 6.442 0.177 1.00 0.00 C ATOM 997 CG2 VAL A 66 13.126 5.185 -1.941 1.00 0.00 C ATOM 0 H VAL A 66 12.083 4.673 1.994 1.00 0.00 H new ATOM 0 HA VAL A 66 12.829 3.152 -0.411 1.00 0.00 H new ATOM 0 HB VAL A 66 11.760 5.557 -0.345 1.00 0.00 H new ATOM 0 HG11 VAL A 66 13.425 7.370 -0.361 1.00 0.00 H new ATOM 0 HG12 VAL A 66 13.327 6.559 1.220 1.00 0.00 H new ATOM 0 HG13 VAL A 66 14.683 6.207 0.122 1.00 0.00 H new ATOM 0 HG21 VAL A 66 12.948 6.142 -2.431 1.00 0.00 H new ATOM 0 HG22 VAL A 66 14.170 4.899 -2.072 1.00 0.00 H new ATOM 0 HG23 VAL A 66 12.483 4.425 -2.384 1.00 0.00 H new ATOM 1007 N ASP A 67 15.414 4.308 -0.175 1.00 0.00 N ATOM 1008 CA ASP A 67 16.846 4.264 0.084 1.00 0.00 C ATOM 1009 C ASP A 67 17.606 4.971 -1.032 1.00 0.00 C ATOM 1010 O ASP A 67 18.275 4.334 -1.845 1.00 0.00 O ATOM 1011 CB ASP A 67 17.321 2.815 0.209 1.00 0.00 C ATOM 1012 CG ASP A 67 18.711 2.710 0.804 1.00 0.00 C ATOM 1013 OD1 ASP A 67 18.826 2.723 2.048 1.00 0.00 O ATOM 1014 OD2 ASP A 67 19.685 2.617 0.028 1.00 0.00 O ATOM 0 H ASP A 67 15.165 4.722 -1.074 1.00 0.00 H new ATOM 0 HA ASP A 67 17.044 4.778 1.024 1.00 0.00 H new ATOM 0 HB2 ASP A 67 16.620 2.258 0.831 1.00 0.00 H new ATOM 0 HB3 ASP A 67 17.314 2.347 -0.776 1.00 0.00 H new ATOM 1019 N GLU A 68 17.487 6.294 -1.070 1.00 0.00 N ATOM 1020 CA GLU A 68 18.152 7.094 -2.092 1.00 0.00 C ATOM 1021 C GLU A 68 19.660 6.862 -2.090 1.00 0.00 C ATOM 1022 O GLU A 68 20.339 7.127 -3.082 1.00 0.00 O ATOM 1023 CB GLU A 68 17.852 8.580 -1.884 1.00 0.00 C ATOM 1024 CG GLU A 68 16.367 8.892 -1.778 1.00 0.00 C ATOM 1025 CD GLU A 68 15.577 8.390 -2.970 1.00 0.00 C ATOM 1026 OE1 GLU A 68 16.200 8.073 -4.006 1.00 0.00 O ATOM 1027 OE2 GLU A 68 14.335 8.312 -2.868 1.00 0.00 O ATOM 0 H GLU A 68 16.936 6.835 -0.404 1.00 0.00 H new ATOM 0 HA GLU A 68 17.763 6.781 -3.061 1.00 0.00 H new ATOM 0 HB2 GLU A 68 18.352 8.920 -0.977 1.00 0.00 H new ATOM 0 HB3 GLU A 68 18.276 9.147 -2.713 1.00 0.00 H new ATOM 0 HG2 GLU A 68 15.969 8.442 -0.868 1.00 0.00 H new ATOM 0 HG3 GLU A 68 16.232 9.970 -1.686 1.00 0.00 H new ATOM 1034 N SER A 69 20.177 6.361 -0.974 1.00 0.00 N ATOM 1035 CA SER A 69 21.604 6.092 -0.847 1.00 0.00 C ATOM 1036 C SER A 69 22.084 5.129 -1.933 1.00 0.00 C ATOM 1037 O SER A 69 23.281 5.041 -2.209 1.00 0.00 O ATOM 1038 CB SER A 69 21.916 5.515 0.535 1.00 0.00 C ATOM 1039 OG SER A 69 23.312 5.365 0.723 1.00 0.00 O ATOM 0 H SER A 69 19.629 6.133 -0.144 1.00 0.00 H new ATOM 0 HA SER A 69 22.134 7.037 -0.969 1.00 0.00 H new ATOM 0 HB2 SER A 69 21.511 6.170 1.306 1.00 0.00 H new ATOM 0 HB3 SER A 69 21.425 4.548 0.648 1.00 0.00 H new ATOM 0 HG SER A 69 23.484 4.996 1.614 1.00 0.00 H new ATOM 1045 N LYS A 70 21.147 4.408 -2.544 1.00 0.00 N ATOM 1046 CA LYS A 70 21.483 3.455 -3.596 1.00 0.00 C ATOM 1047 C LYS A 70 22.216 4.142 -4.745 1.00 0.00 C ATOM 1048 O LYS A 70 23.237 3.649 -5.224 1.00 0.00 O ATOM 1049 CB LYS A 70 20.218 2.773 -4.120 1.00 0.00 C ATOM 1050 CG LYS A 70 19.545 1.871 -3.097 1.00 0.00 C ATOM 1051 CD LYS A 70 20.393 0.648 -2.786 1.00 0.00 C ATOM 1052 CE LYS A 70 19.855 -0.595 -3.475 1.00 0.00 C ATOM 1053 NZ LYS A 70 20.947 -1.488 -3.948 1.00 0.00 N ATOM 0 H LYS A 70 20.152 4.466 -2.329 1.00 0.00 H new ATOM 0 HA LYS A 70 22.144 2.702 -3.167 1.00 0.00 H new ATOM 0 HB2 LYS A 70 19.510 3.537 -4.441 1.00 0.00 H new ATOM 0 HB3 LYS A 70 20.471 2.183 -5.001 1.00 0.00 H new ATOM 0 HG2 LYS A 70 19.364 2.432 -2.180 1.00 0.00 H new ATOM 0 HG3 LYS A 70 18.573 1.554 -3.474 1.00 0.00 H new ATOM 0 HD2 LYS A 70 21.420 0.826 -3.105 1.00 0.00 H new ATOM 0 HD3 LYS A 70 20.417 0.486 -1.708 1.00 0.00 H new ATOM 0 HE2 LYS A 70 19.213 -1.142 -2.785 1.00 0.00 H new ATOM 0 HE3 LYS A 70 19.235 -0.300 -4.322 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 20.536 -2.323 -4.412 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 21.546 -0.975 -4.626 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 21.524 -1.791 -3.137 1.00 0.00 H new ATOM 1067 N LYS A 71 21.688 5.281 -5.182 1.00 0.00 N ATOM 1068 CA LYS A 71 22.295 6.032 -6.275 1.00 0.00 C ATOM 1069 C LYS A 71 22.299 5.213 -7.559 1.00 0.00 C ATOM 1070 O LYS A 71 23.209 4.420 -7.798 1.00 0.00 O ATOM 1071 CB LYS A 71 23.723 6.444 -5.911 1.00 0.00 C ATOM 1072 CG LYS A 71 23.811 7.804 -5.239 1.00 0.00 C ATOM 1073 CD LYS A 71 24.074 7.677 -3.748 1.00 0.00 C ATOM 1074 CE LYS A 71 25.480 7.166 -3.472 1.00 0.00 C ATOM 1075 NZ LYS A 71 25.665 6.793 -2.042 1.00 0.00 N ATOM 0 H LYS A 71 20.843 5.703 -4.797 1.00 0.00 H new ATOM 0 HA LYS A 71 21.699 6.930 -6.440 1.00 0.00 H new ATOM 0 HB2 LYS A 71 24.151 5.692 -5.248 1.00 0.00 H new ATOM 0 HB3 LYS A 71 24.331 6.455 -6.816 1.00 0.00 H new ATOM 0 HG2 LYS A 71 24.608 8.387 -5.701 1.00 0.00 H new ATOM 0 HG3 LYS A 71 22.882 8.350 -5.400 1.00 0.00 H new ATOM 0 HD2 LYS A 71 23.938 8.647 -3.269 1.00 0.00 H new ATOM 0 HD3 LYS A 71 23.345 6.998 -3.305 1.00 0.00 H new ATOM 0 HE2 LYS A 71 25.682 6.300 -4.102 1.00 0.00 H new ATOM 0 HE3 LYS A 71 26.205 7.933 -3.744 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 26.593 6.340 -1.919 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 25.615 7.647 -1.451 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 24.916 6.130 -1.756 1.00 0.00 H new ATOM 1089 N ARG A 72 21.276 5.409 -8.383 1.00 0.00 N ATOM 1090 CA ARG A 72 21.162 4.688 -9.644 1.00 0.00 C ATOM 1091 C ARG A 72 21.443 5.612 -10.824 1.00 0.00 C ATOM 1092 O ARG A 72 21.270 6.826 -10.726 1.00 0.00 O ATOM 1093 CB ARG A 72 19.766 4.075 -9.782 1.00 0.00 C ATOM 1094 CG ARG A 72 19.438 3.061 -8.699 1.00 0.00 C ATOM 1095 CD ARG A 72 20.342 1.843 -8.785 1.00 0.00 C ATOM 1096 NE ARG A 72 20.133 1.091 -10.021 1.00 0.00 N ATOM 1097 CZ ARG A 72 19.122 0.249 -10.215 1.00 0.00 C ATOM 1098 NH1 ARG A 72 18.223 0.048 -9.257 1.00 0.00 N ATOM 1099 NH2 ARG A 72 19.005 -0.393 -11.369 1.00 0.00 N ATOM 0 H ARG A 72 20.514 6.062 -8.200 1.00 0.00 H new ATOM 0 HA ARG A 72 21.903 3.889 -9.646 1.00 0.00 H new ATOM 0 HB2 ARG A 72 19.024 4.873 -9.758 1.00 0.00 H new ATOM 0 HB3 ARG A 72 19.684 3.593 -10.756 1.00 0.00 H new ATOM 0 HG2 ARG A 72 19.545 3.526 -7.719 1.00 0.00 H new ATOM 0 HG3 ARG A 72 18.397 2.751 -8.793 1.00 0.00 H new ATOM 0 HD2 ARG A 72 21.383 2.160 -8.725 1.00 0.00 H new ATOM 0 HD3 ARG A 72 20.157 1.193 -7.930 1.00 0.00 H new ATOM 0 HE ARG A 72 20.802 1.220 -10.780 1.00 0.00 H new ATOM 0 HH11 ARG A 72 18.306 0.541 -8.368 1.00 0.00 H new ATOM 0 HH12 ARG A 72 17.450 -0.599 -9.411 1.00 0.00 H new ATOM 0 HH21 ARG A 72 19.691 -0.241 -12.109 1.00 0.00 H new ATOM 0 HH22 ARG A 72 18.229 -1.039 -11.517 1.00 0.00 H new ATOM 1113 N LYS A 73 21.876 5.032 -11.939 1.00 0.00 N ATOM 1114 CA LYS A 73 22.182 5.811 -13.132 1.00 0.00 C ATOM 1115 C LYS A 73 21.298 5.391 -14.302 1.00 0.00 C ATOM 1116 O LYS A 73 20.952 4.218 -14.444 1.00 0.00 O ATOM 1117 CB LYS A 73 23.655 5.653 -13.509 1.00 0.00 C ATOM 1118 CG LYS A 73 24.613 6.158 -12.443 1.00 0.00 C ATOM 1119 CD LYS A 73 25.678 7.068 -13.035 1.00 0.00 C ATOM 1120 CE LYS A 73 26.998 6.938 -12.291 1.00 0.00 C ATOM 1121 NZ LYS A 73 27.925 8.059 -12.604 1.00 0.00 N ATOM 0 H LYS A 73 22.022 4.028 -12.041 1.00 0.00 H new ATOM 0 HA LYS A 73 21.982 6.859 -12.908 1.00 0.00 H new ATOM 0 HB2 LYS A 73 23.861 4.600 -13.702 1.00 0.00 H new ATOM 0 HB3 LYS A 73 23.843 6.190 -14.439 1.00 0.00 H new ATOM 0 HG2 LYS A 73 24.055 6.699 -11.678 1.00 0.00 H new ATOM 0 HG3 LYS A 73 25.090 5.311 -11.950 1.00 0.00 H new ATOM 0 HD2 LYS A 73 25.826 6.821 -14.086 1.00 0.00 H new ATOM 0 HD3 LYS A 73 25.337 8.103 -12.995 1.00 0.00 H new ATOM 0 HE2 LYS A 73 26.809 6.913 -11.218 1.00 0.00 H new ATOM 0 HE3 LYS A 73 27.471 5.992 -12.554 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 28.813 7.933 -12.077 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 28.126 8.068 -13.624 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 27.485 8.960 -12.330 1.00 0.00 H new ATOM 1135 N ASP A 74 20.938 6.360 -15.137 1.00 0.00 N ATOM 1136 CA ASP A 74 20.097 6.097 -16.299 1.00 0.00 C ATOM 1137 C ASP A 74 20.937 5.631 -17.483 1.00 0.00 C ATOM 1138 O ASP A 74 22.166 5.669 -17.439 1.00 0.00 O ATOM 1139 CB ASP A 74 19.310 7.353 -16.678 1.00 0.00 C ATOM 1140 CG ASP A 74 18.030 7.033 -17.425 1.00 0.00 C ATOM 1141 OD1 ASP A 74 17.591 5.865 -17.376 1.00 0.00 O ATOM 1142 OD2 ASP A 74 17.467 7.951 -18.057 1.00 0.00 O ATOM 0 H ASP A 74 21.216 7.336 -15.030 1.00 0.00 H new ATOM 0 HA ASP A 74 19.397 5.303 -16.039 1.00 0.00 H new ATOM 0 HB2 ASP A 74 19.069 7.913 -15.775 1.00 0.00 H new ATOM 0 HB3 ASP A 74 19.936 7.997 -17.295 1.00 0.00 H new ATOM 1147 N ASN A 75 20.265 5.190 -18.541 1.00 0.00 N ATOM 1148 CA ASN A 75 20.948 4.714 -19.739 1.00 0.00 C ATOM 1149 C ASN A 75 21.781 5.822 -20.383 1.00 0.00 C ATOM 1150 O ASN A 75 22.672 5.550 -21.187 1.00 0.00 O ATOM 1151 CB ASN A 75 19.933 4.175 -20.748 1.00 0.00 C ATOM 1152 CG ASN A 75 19.121 3.021 -20.191 1.00 0.00 C ATOM 1153 OD1 ASN A 75 17.892 3.021 -20.264 1.00 0.00 O ATOM 1154 ND2 ASN A 75 19.806 2.032 -19.630 1.00 0.00 N ATOM 0 H ASN A 75 19.247 5.152 -18.594 1.00 0.00 H new ATOM 0 HA ASN A 75 21.622 3.911 -19.440 1.00 0.00 H new ATOM 0 HB2 ASN A 75 19.260 4.979 -21.047 1.00 0.00 H new ATOM 0 HB3 ASN A 75 20.456 3.847 -21.646 1.00 0.00 H new ATOM 0 HD21 ASN A 75 19.314 1.230 -19.237 1.00 0.00 H new ATOM 0 HD22 ASN A 75 20.824 2.074 -19.592 1.00 0.00 H new ATOM 1161 N GLU A 76 21.486 7.069 -20.027 1.00 0.00 N ATOM 1162 CA GLU A 76 22.211 8.210 -20.576 1.00 0.00 C ATOM 1163 C GLU A 76 23.488 8.496 -19.787 1.00 0.00 C ATOM 1164 O GLU A 76 24.184 9.476 -20.055 1.00 0.00 O ATOM 1165 CB GLU A 76 21.316 9.450 -20.583 1.00 0.00 C ATOM 1166 CG GLU A 76 20.159 9.356 -21.563 1.00 0.00 C ATOM 1167 CD GLU A 76 20.614 9.379 -23.008 1.00 0.00 C ATOM 1168 OE1 GLU A 76 21.763 9.796 -23.264 1.00 0.00 O ATOM 1169 OE2 GLU A 76 19.819 8.979 -23.888 1.00 0.00 O ATOM 0 H GLU A 76 20.752 7.314 -19.363 1.00 0.00 H new ATOM 0 HA GLU A 76 22.495 7.961 -21.599 1.00 0.00 H new ATOM 0 HB2 GLU A 76 20.920 9.608 -19.580 1.00 0.00 H new ATOM 0 HB3 GLU A 76 21.920 10.323 -20.829 1.00 0.00 H new ATOM 0 HG2 GLU A 76 19.603 8.437 -21.376 1.00 0.00 H new ATOM 0 HG3 GLU A 76 19.473 10.185 -21.389 1.00 0.00 H new ATOM 1176 N GLY A 77 23.796 7.640 -18.815 1.00 0.00 N ATOM 1177 CA GLY A 77 24.988 7.830 -18.012 1.00 0.00 C ATOM 1178 C GLY A 77 24.787 8.836 -16.893 1.00 0.00 C ATOM 1179 O GLY A 77 25.738 9.196 -16.199 1.00 0.00 O ATOM 0 H GLY A 77 23.241 6.820 -18.571 1.00 0.00 H new ATOM 0 HA2 GLY A 77 25.290 6.874 -17.585 1.00 0.00 H new ATOM 0 HA3 GLY A 77 25.804 8.164 -18.653 1.00 0.00 H new ATOM 1183 N ASN A 78 23.550 9.291 -16.715 1.00 0.00 N ATOM 1184 CA ASN A 78 23.236 10.259 -15.669 1.00 0.00 C ATOM 1185 C ASN A 78 22.758 9.551 -14.406 1.00 0.00 C ATOM 1186 O ASN A 78 22.367 8.386 -14.449 1.00 0.00 O ATOM 1187 CB ASN A 78 22.167 11.238 -16.156 1.00 0.00 C ATOM 1188 CG ASN A 78 22.599 11.997 -17.396 1.00 0.00 C ATOM 1189 OD1 ASN A 78 23.616 12.691 -17.390 1.00 0.00 O ATOM 1190 ND2 ASN A 78 21.826 11.867 -18.468 1.00 0.00 N ATOM 0 H ASN A 78 22.750 9.006 -17.280 1.00 0.00 H new ATOM 0 HA ASN A 78 24.144 10.814 -15.433 1.00 0.00 H new ATOM 0 HB2 ASN A 78 21.248 10.692 -16.370 1.00 0.00 H new ATOM 0 HB3 ASN A 78 21.938 11.947 -15.361 1.00 0.00 H new ATOM 0 HD21 ASN A 78 22.066 12.353 -19.332 1.00 0.00 H new ATOM 0 HD22 ASN A 78 20.992 11.281 -18.427 1.00 0.00 H new ATOM 1197 N GLU A 79 22.792 10.260 -13.283 1.00 0.00 N ATOM 1198 CA GLU A 79 22.360 9.694 -12.011 1.00 0.00 C ATOM 1199 C GLU A 79 20.904 10.043 -11.726 1.00 0.00 C ATOM 1200 O GLU A 79 20.402 11.071 -12.180 1.00 0.00 O ATOM 1201 CB GLU A 79 23.250 10.199 -10.875 1.00 0.00 C ATOM 1202 CG GLU A 79 24.714 9.814 -11.030 1.00 0.00 C ATOM 1203 CD GLU A 79 25.563 10.261 -9.855 1.00 0.00 C ATOM 1204 OE1 GLU A 79 25.071 11.065 -9.036 1.00 0.00 O ATOM 1205 OE2 GLU A 79 26.721 9.804 -9.754 1.00 0.00 O ATOM 0 H GLU A 79 23.114 11.226 -13.228 1.00 0.00 H new ATOM 0 HA GLU A 79 22.448 8.610 -12.077 1.00 0.00 H new ATOM 0 HB2 GLU A 79 23.173 11.285 -10.819 1.00 0.00 H new ATOM 0 HB3 GLU A 79 22.877 9.804 -9.930 1.00 0.00 H new ATOM 0 HG2 GLU A 79 24.792 8.732 -11.139 1.00 0.00 H new ATOM 0 HG3 GLU A 79 25.107 10.255 -11.946 1.00 0.00 H new ATOM 1212 N VAL A 80 20.227 9.181 -10.974 1.00 0.00 N ATOM 1213 CA VAL A 80 18.827 9.401 -10.632 1.00 0.00 C ATOM 1214 C VAL A 80 18.570 9.116 -9.158 1.00 0.00 C ATOM 1215 O VAL A 80 19.326 8.389 -8.515 1.00 0.00 O ATOM 1216 CB VAL A 80 17.879 8.525 -11.488 1.00 0.00 C ATOM 1217 CG1 VAL A 80 18.346 8.487 -12.936 1.00 0.00 C ATOM 1218 CG2 VAL A 80 17.769 7.111 -10.920 1.00 0.00 C ATOM 0 H VAL A 80 20.625 8.324 -10.590 1.00 0.00 H new ATOM 0 HA VAL A 80 18.619 10.450 -10.842 1.00 0.00 H new ATOM 0 HB VAL A 80 16.887 8.976 -11.456 1.00 0.00 H new ATOM 0 HG11 VAL A 80 17.667 7.867 -13.521 1.00 0.00 H new ATOM 0 HG12 VAL A 80 18.354 9.498 -13.342 1.00 0.00 H new ATOM 0 HG13 VAL A 80 19.351 8.069 -12.983 1.00 0.00 H new ATOM 0 HG21 VAL A 80 17.097 6.520 -11.542 1.00 0.00 H new ATOM 0 HG22 VAL A 80 18.755 6.646 -10.908 1.00 0.00 H new ATOM 0 HG23 VAL A 80 17.377 7.156 -9.904 1.00 0.00 H new ATOM 1228 N VAL A 81 17.486 9.677 -8.638 1.00 0.00 N ATOM 1229 CA VAL A 81 17.110 9.465 -7.250 1.00 0.00 C ATOM 1230 C VAL A 81 15.994 8.428 -7.172 1.00 0.00 C ATOM 1231 O VAL A 81 14.826 8.749 -7.396 1.00 0.00 O ATOM 1232 CB VAL A 81 16.636 10.771 -6.585 1.00 0.00 C ATOM 1233 CG1 VAL A 81 16.460 10.577 -5.087 1.00 0.00 C ATOM 1234 CG2 VAL A 81 17.613 11.901 -6.872 1.00 0.00 C ATOM 0 H VAL A 81 16.852 10.283 -9.159 1.00 0.00 H new ATOM 0 HA VAL A 81 17.992 9.110 -6.717 1.00 0.00 H new ATOM 0 HB VAL A 81 15.668 11.041 -7.008 1.00 0.00 H new ATOM 0 HG11 VAL A 81 16.125 11.511 -4.636 1.00 0.00 H new ATOM 0 HG12 VAL A 81 15.718 9.800 -4.906 1.00 0.00 H new ATOM 0 HG13 VAL A 81 17.411 10.281 -4.644 1.00 0.00 H new ATOM 0 HG21 VAL A 81 17.262 12.816 -6.394 1.00 0.00 H new ATOM 0 HG22 VAL A 81 18.596 11.641 -6.479 1.00 0.00 H new ATOM 0 HG23 VAL A 81 17.682 12.057 -7.948 1.00 0.00 H new ATOM 1244 N PRO A 82 16.336 7.159 -6.873 1.00 0.00 N ATOM 1245 CA PRO A 82 15.356 6.079 -6.792 1.00 0.00 C ATOM 1246 C PRO A 82 14.079 6.491 -6.065 1.00 0.00 C ATOM 1247 O PRO A 82 14.117 7.283 -5.123 1.00 0.00 O ATOM 1248 CB PRO A 82 16.096 5.002 -6.004 1.00 0.00 C ATOM 1249 CG PRO A 82 17.530 5.203 -6.350 1.00 0.00 C ATOM 1250 CD PRO A 82 17.706 6.678 -6.610 1.00 0.00 C ATOM 0 HA PRO A 82 15.020 5.759 -7.779 1.00 0.00 H new ATOM 0 HB2 PRO A 82 15.928 5.109 -4.932 1.00 0.00 H new ATOM 0 HB3 PRO A 82 15.757 4.004 -6.282 1.00 0.00 H new ATOM 0 HG2 PRO A 82 18.175 4.873 -5.536 1.00 0.00 H new ATOM 0 HG3 PRO A 82 17.802 4.619 -7.229 1.00 0.00 H new ATOM 0 HD2 PRO A 82 18.149 7.184 -5.753 1.00 0.00 H new ATOM 0 HD3 PRO A 82 18.363 6.858 -7.461 1.00 0.00 H new ATOM 1258 N LYS A 83 12.952 5.949 -6.510 1.00 0.00 N ATOM 1259 CA LYS A 83 11.663 6.261 -5.904 1.00 0.00 C ATOM 1260 C LYS A 83 11.183 5.105 -5.031 1.00 0.00 C ATOM 1261 O LYS A 83 11.518 3.945 -5.272 1.00 0.00 O ATOM 1262 CB LYS A 83 10.633 6.597 -6.995 1.00 0.00 C ATOM 1263 CG LYS A 83 9.311 5.852 -6.872 1.00 0.00 C ATOM 1264 CD LYS A 83 8.320 6.293 -7.936 1.00 0.00 C ATOM 1265 CE LYS A 83 7.507 5.122 -8.462 1.00 0.00 C ATOM 1266 NZ LYS A 83 6.331 5.574 -9.254 1.00 0.00 N ATOM 0 H LYS A 83 12.904 5.291 -7.288 1.00 0.00 H new ATOM 0 HA LYS A 83 11.779 7.134 -5.262 1.00 0.00 H new ATOM 0 HB2 LYS A 83 10.434 7.668 -6.971 1.00 0.00 H new ATOM 0 HB3 LYS A 83 11.070 6.376 -7.969 1.00 0.00 H new ATOM 0 HG2 LYS A 83 9.487 4.780 -6.960 1.00 0.00 H new ATOM 0 HG3 LYS A 83 8.886 6.025 -5.883 1.00 0.00 H new ATOM 0 HD2 LYS A 83 7.649 7.045 -7.520 1.00 0.00 H new ATOM 0 HD3 LYS A 83 8.856 6.764 -8.760 1.00 0.00 H new ATOM 0 HE2 LYS A 83 8.141 4.489 -9.083 1.00 0.00 H new ATOM 0 HE3 LYS A 83 7.168 4.511 -7.626 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 5.803 4.745 -9.595 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 5.712 6.157 -8.655 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 6.655 6.136 -10.067 1.00 0.00 H new ATOM 1280 N PRO A 84 10.403 5.421 -3.989 1.00 0.00 N ATOM 1281 CA PRO A 84 9.878 4.434 -3.043 1.00 0.00 C ATOM 1282 C PRO A 84 8.774 3.571 -3.645 1.00 0.00 C ATOM 1283 O PRO A 84 8.000 4.032 -4.484 1.00 0.00 O ATOM 1284 CB PRO A 84 9.330 5.295 -1.899 1.00 0.00 C ATOM 1285 CG PRO A 84 9.902 6.647 -2.141 1.00 0.00 C ATOM 1286 CD PRO A 84 9.982 6.773 -3.621 1.00 0.00 C ATOM 0 HA PRO A 84 10.644 3.724 -2.731 1.00 0.00 H new ATOM 0 HB2 PRO A 84 8.240 5.318 -1.907 1.00 0.00 H new ATOM 0 HB3 PRO A 84 9.633 4.904 -0.928 1.00 0.00 H new ATOM 0 HG2 PRO A 84 9.270 7.425 -1.712 1.00 0.00 H new ATOM 0 HG3 PRO A 84 10.886 6.747 -1.683 1.00 0.00 H new ATOM 0 HD2 PRO A 84 9.024 7.043 -4.065 1.00 0.00 H new ATOM 0 HD3 PRO A 84 10.702 7.529 -3.933 1.00 0.00 H new ATOM 1294 N GLN A 85 8.707 2.317 -3.209 1.00 0.00 N ATOM 1295 CA GLN A 85 7.696 1.390 -3.703 1.00 0.00 C ATOM 1296 C GLN A 85 6.297 1.838 -3.288 1.00 0.00 C ATOM 1297 O GLN A 85 6.068 2.195 -2.133 1.00 0.00 O ATOM 1298 CB GLN A 85 7.970 -0.021 -3.178 1.00 0.00 C ATOM 1299 CG GLN A 85 8.418 -0.995 -4.256 1.00 0.00 C ATOM 1300 CD GLN A 85 9.346 -2.069 -3.721 1.00 0.00 C ATOM 1301 OE1 GLN A 85 9.933 -1.922 -2.649 1.00 0.00 O ATOM 1302 NE2 GLN A 85 9.485 -3.157 -4.469 1.00 0.00 N ATOM 0 H GLN A 85 9.341 1.920 -2.515 1.00 0.00 H new ATOM 0 HA GLN A 85 7.746 1.382 -4.792 1.00 0.00 H new ATOM 0 HB2 GLN A 85 8.737 0.030 -2.405 1.00 0.00 H new ATOM 0 HB3 GLN A 85 7.066 -0.406 -2.705 1.00 0.00 H new ATOM 0 HG2 GLN A 85 7.542 -1.466 -4.702 1.00 0.00 H new ATOM 0 HG3 GLN A 85 8.924 -0.445 -5.050 1.00 0.00 H new ATOM 0 HE21 GLN A 85 8.979 -3.237 -5.351 1.00 0.00 H new ATOM 0 HE22 GLN A 85 10.097 -3.912 -4.161 1.00 0.00 H new ATOM 1311 N ARG A 86 5.367 1.818 -4.236 1.00 0.00 N ATOM 1312 CA ARG A 86 3.991 2.219 -3.969 1.00 0.00 C ATOM 1313 C ARG A 86 3.020 1.102 -4.341 1.00 0.00 C ATOM 1314 O ARG A 86 3.015 0.624 -5.477 1.00 0.00 O ATOM 1315 CB ARG A 86 3.646 3.488 -4.751 1.00 0.00 C ATOM 1316 CG ARG A 86 4.495 4.687 -4.365 1.00 0.00 C ATOM 1317 CD ARG A 86 3.675 5.968 -4.339 1.00 0.00 C ATOM 1318 NE ARG A 86 3.646 6.627 -5.642 1.00 0.00 N ATOM 1319 CZ ARG A 86 3.318 7.904 -5.821 1.00 0.00 C ATOM 1320 NH1 ARG A 86 2.986 8.663 -4.782 1.00 0.00 N ATOM 1321 NH2 ARG A 86 3.318 8.426 -7.040 1.00 0.00 N ATOM 0 H ARG A 86 5.542 1.528 -5.198 1.00 0.00 H new ATOM 0 HA ARG A 86 3.898 2.421 -2.902 1.00 0.00 H new ATOM 0 HB2 ARG A 86 3.769 3.293 -5.816 1.00 0.00 H new ATOM 0 HB3 ARG A 86 2.595 3.730 -4.590 1.00 0.00 H new ATOM 0 HG2 ARG A 86 4.939 4.519 -3.384 1.00 0.00 H new ATOM 0 HG3 ARG A 86 5.317 4.795 -5.073 1.00 0.00 H new ATOM 0 HD2 ARG A 86 2.656 5.740 -4.026 1.00 0.00 H new ATOM 0 HD3 ARG A 86 4.091 6.650 -3.597 1.00 0.00 H new ATOM 0 HE ARG A 86 3.892 6.075 -6.464 1.00 0.00 H new ATOM 0 HH11 ARG A 86 2.982 8.267 -3.842 1.00 0.00 H new ATOM 0 HH12 ARG A 86 2.735 9.641 -4.925 1.00 0.00 H new ATOM 0 HH21 ARG A 86 3.570 7.848 -7.842 1.00 0.00 H new ATOM 0 HH22 ARG A 86 3.066 9.405 -7.176 1.00 0.00 H new ATOM 1335 N HIS A 87 2.198 0.691 -3.382 1.00 0.00 N ATOM 1336 CA HIS A 87 1.222 -0.368 -3.612 1.00 0.00 C ATOM 1337 C HIS A 87 -0.123 0.223 -4.020 1.00 0.00 C ATOM 1338 O HIS A 87 -0.396 1.395 -3.764 1.00 0.00 O ATOM 1339 CB HIS A 87 1.058 -1.225 -2.355 1.00 0.00 C ATOM 1340 CG HIS A 87 2.321 -1.908 -1.930 1.00 0.00 C ATOM 1341 ND1 HIS A 87 2.896 -2.940 -2.641 1.00 0.00 N ATOM 1342 CD2 HIS A 87 3.123 -1.702 -0.857 1.00 0.00 C ATOM 1343 CE1 HIS A 87 3.995 -3.341 -2.025 1.00 0.00 C ATOM 1344 NE2 HIS A 87 4.155 -2.604 -0.942 1.00 0.00 N ATOM 0 H HIS A 87 2.188 1.075 -2.437 1.00 0.00 H new ATOM 0 HA HIS A 87 1.587 -0.999 -4.423 1.00 0.00 H new ATOM 0 HB2 HIS A 87 0.702 -0.596 -1.539 1.00 0.00 H new ATOM 0 HB3 HIS A 87 0.290 -1.977 -2.535 1.00 0.00 H new ATOM 0 HD2 HIS A 87 2.978 -0.966 -0.080 1.00 0.00 H new ATOM 0 HE1 HIS A 87 4.650 -4.135 -2.352 1.00 0.00 H new ATOM 0 HE2 HIS A 87 4.922 -2.690 -0.275 1.00 0.00 H new ATOM 1353 N MET A 88 -0.956 -0.590 -4.661 1.00 0.00 N ATOM 1354 CA MET A 88 -2.268 -0.135 -5.106 1.00 0.00 C ATOM 1355 C MET A 88 -3.357 -1.140 -4.745 1.00 0.00 C ATOM 1356 O MET A 88 -3.242 -2.330 -5.041 1.00 0.00 O ATOM 1357 CB MET A 88 -2.257 0.105 -6.616 1.00 0.00 C ATOM 1358 CG MET A 88 -3.558 0.680 -7.151 1.00 0.00 C ATOM 1359 SD MET A 88 -3.555 0.847 -8.948 1.00 0.00 S ATOM 1360 CE MET A 88 -5.181 1.543 -9.228 1.00 0.00 C ATOM 0 H MET A 88 -0.747 -1.563 -4.883 1.00 0.00 H new ATOM 0 HA MET A 88 -2.490 0.801 -4.593 1.00 0.00 H new ATOM 0 HB2 MET A 88 -1.441 0.785 -6.861 1.00 0.00 H new ATOM 0 HB3 MET A 88 -2.050 -0.837 -7.124 1.00 0.00 H new ATOM 0 HG2 MET A 88 -4.386 0.037 -6.851 1.00 0.00 H new ATOM 0 HG3 MET A 88 -3.732 1.656 -6.699 1.00 0.00 H new ATOM 0 HE1 MET A 88 -5.364 1.621 -10.300 1.00 0.00 H new ATOM 0 HE2 MET A 88 -5.935 0.898 -8.777 1.00 0.00 H new ATOM 0 HE3 MET A 88 -5.235 2.534 -8.777 1.00 0.00 H new ATOM 1370 N PHE A 89 -4.416 -0.650 -4.110 1.00 0.00 N ATOM 1371 CA PHE A 89 -5.534 -1.496 -3.709 1.00 0.00 C ATOM 1372 C PHE A 89 -6.860 -0.781 -3.946 1.00 0.00 C ATOM 1373 O PHE A 89 -6.938 0.444 -3.859 1.00 0.00 O ATOM 1374 CB PHE A 89 -5.409 -1.883 -2.234 1.00 0.00 C ATOM 1375 CG PHE A 89 -4.180 -2.691 -1.924 1.00 0.00 C ATOM 1376 CD1 PHE A 89 -4.203 -4.074 -2.017 1.00 0.00 C ATOM 1377 CD2 PHE A 89 -3.006 -2.068 -1.537 1.00 0.00 C ATOM 1378 CE1 PHE A 89 -3.076 -4.819 -1.730 1.00 0.00 C ATOM 1379 CE2 PHE A 89 -1.875 -2.810 -1.248 1.00 0.00 C ATOM 1380 CZ PHE A 89 -1.910 -4.187 -1.345 1.00 0.00 C ATOM 0 H PHE A 89 -4.524 0.333 -3.861 1.00 0.00 H new ATOM 0 HA PHE A 89 -5.510 -2.401 -4.316 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -5.399 -0.976 -1.629 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -6.291 -2.452 -1.941 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -5.112 -4.574 -2.317 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -2.973 -0.991 -1.460 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -3.107 -5.896 -1.807 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -0.965 -2.313 -0.947 1.00 0.00 H new ATOM 0 HZ PHE A 89 -1.028 -4.768 -1.120 1.00 0.00 H new ATOM 1390 N SER A 90 -7.904 -1.549 -4.245 1.00 0.00 N ATOM 1391 CA SER A 90 -9.225 -0.979 -4.492 1.00 0.00 C ATOM 1392 C SER A 90 -10.275 -1.624 -3.590 1.00 0.00 C ATOM 1393 O SER A 90 -10.439 -2.843 -3.585 1.00 0.00 O ATOM 1394 CB SER A 90 -9.611 -1.149 -5.964 1.00 0.00 C ATOM 1395 OG SER A 90 -11.018 -1.104 -6.135 1.00 0.00 O ATOM 0 H SER A 90 -7.861 -2.565 -4.322 1.00 0.00 H new ATOM 0 HA SER A 90 -9.185 0.085 -4.260 1.00 0.00 H new ATOM 0 HB2 SER A 90 -9.145 -0.363 -6.558 1.00 0.00 H new ATOM 0 HB3 SER A 90 -9.227 -2.099 -6.336 1.00 0.00 H new ATOM 0 HG SER A 90 -11.236 -1.214 -7.084 1.00 0.00 H new ATOM 1401 N PHE A 91 -10.983 -0.798 -2.829 1.00 0.00 N ATOM 1402 CA PHE A 91 -12.016 -1.289 -1.923 1.00 0.00 C ATOM 1403 C PHE A 91 -13.400 -0.847 -2.385 1.00 0.00 C ATOM 1404 O PHE A 91 -13.529 -0.029 -3.296 1.00 0.00 O ATOM 1405 CB PHE A 91 -11.761 -0.787 -0.501 1.00 0.00 C ATOM 1406 CG PHE A 91 -10.405 -1.150 0.034 1.00 0.00 C ATOM 1407 CD1 PHE A 91 -9.256 -0.630 -0.541 1.00 0.00 C ATOM 1408 CD2 PHE A 91 -10.279 -2.013 1.112 1.00 0.00 C ATOM 1409 CE1 PHE A 91 -8.008 -0.960 -0.049 1.00 0.00 C ATOM 1410 CE2 PHE A 91 -9.032 -2.347 1.608 1.00 0.00 C ATOM 1411 CZ PHE A 91 -7.896 -1.820 1.026 1.00 0.00 C ATOM 0 H PHE A 91 -10.861 0.215 -2.821 1.00 0.00 H new ATOM 0 HA PHE A 91 -11.978 -2.378 -1.930 1.00 0.00 H new ATOM 0 HB2 PHE A 91 -11.870 0.297 -0.483 1.00 0.00 H new ATOM 0 HB3 PHE A 91 -12.524 -1.195 0.161 1.00 0.00 H new ATOM 0 HD1 PHE A 91 -9.337 0.041 -1.383 1.00 0.00 H new ATOM 0 HD2 PHE A 91 -11.165 -2.429 1.569 1.00 0.00 H new ATOM 0 HE1 PHE A 91 -7.121 -0.546 -0.505 1.00 0.00 H new ATOM 0 HE2 PHE A 91 -8.947 -3.019 2.449 1.00 0.00 H new ATOM 0 HZ PHE A 91 -6.921 -2.080 1.411 1.00 0.00 H new ATOM 1421 N ASN A 92 -14.432 -1.393 -1.751 1.00 0.00 N ATOM 1422 CA ASN A 92 -15.806 -1.053 -2.095 1.00 0.00 C ATOM 1423 C ASN A 92 -16.602 -0.657 -0.855 1.00 0.00 C ATOM 1424 O ASN A 92 -17.825 -0.792 -0.820 1.00 0.00 O ATOM 1425 CB ASN A 92 -16.485 -2.226 -2.795 1.00 0.00 C ATOM 1426 CG ASN A 92 -16.575 -3.458 -1.915 1.00 0.00 C ATOM 1427 OD1 ASN A 92 -16.905 -3.369 -0.734 1.00 0.00 O ATOM 1428 ND2 ASN A 92 -16.280 -4.618 -2.491 1.00 0.00 N ATOM 0 H ASN A 92 -14.342 -2.073 -0.996 1.00 0.00 H new ATOM 0 HA ASN A 92 -15.779 -0.200 -2.773 1.00 0.00 H new ATOM 0 HB2 ASN A 92 -17.488 -1.930 -3.102 1.00 0.00 H new ATOM 0 HB3 ASN A 92 -15.933 -2.472 -3.702 1.00 0.00 H new ATOM 0 HD21 ASN A 92 -16.323 -5.482 -1.950 1.00 0.00 H new ATOM 0 HD22 ASN A 92 -16.011 -4.645 -3.474 1.00 0.00 H new ATOM 1435 N ASN A 93 -15.900 -0.165 0.160 1.00 0.00 N ATOM 1436 CA ASN A 93 -16.539 0.255 1.400 1.00 0.00 C ATOM 1437 C ASN A 93 -15.707 1.325 2.098 1.00 0.00 C ATOM 1438 O ASN A 93 -14.607 1.053 2.580 1.00 0.00 O ATOM 1439 CB ASN A 93 -16.734 -0.944 2.331 1.00 0.00 C ATOM 1440 CG ASN A 93 -17.726 -1.949 1.779 1.00 0.00 C ATOM 1441 OD1 ASN A 93 -18.810 -1.584 1.322 1.00 0.00 O ATOM 1442 ND2 ASN A 93 -17.360 -3.224 1.818 1.00 0.00 N ATOM 0 H ASN A 93 -14.887 -0.047 0.147 1.00 0.00 H new ATOM 0 HA ASN A 93 -17.514 0.676 1.155 1.00 0.00 H new ATOM 0 HB2 ASN A 93 -15.774 -1.435 2.492 1.00 0.00 H new ATOM 0 HB3 ASN A 93 -17.079 -0.593 3.303 1.00 0.00 H new ATOM 0 HD21 ASN A 93 -17.986 -3.946 1.461 1.00 0.00 H new ATOM 0 HD22 ASN A 93 -16.452 -3.482 2.205 1.00 0.00 H new ATOM 1449 N ARG A 94 -16.237 2.543 2.148 1.00 0.00 N ATOM 1450 CA ARG A 94 -15.539 3.653 2.784 1.00 0.00 C ATOM 1451 C ARG A 94 -15.180 3.315 4.225 1.00 0.00 C ATOM 1452 O ARG A 94 -14.156 3.753 4.746 1.00 0.00 O ATOM 1453 CB ARG A 94 -16.395 4.920 2.739 1.00 0.00 C ATOM 1454 CG ARG A 94 -16.598 5.468 1.336 1.00 0.00 C ATOM 1455 CD ARG A 94 -17.858 4.907 0.696 1.00 0.00 C ATOM 1456 NE ARG A 94 -18.369 5.779 -0.358 1.00 0.00 N ATOM 1457 CZ ARG A 94 -19.079 6.881 -0.130 1.00 0.00 C ATOM 1458 NH1 ARG A 94 -19.363 7.251 1.112 1.00 0.00 N ATOM 1459 NH2 ARG A 94 -19.506 7.617 -1.147 1.00 0.00 N ATOM 0 H ARG A 94 -17.147 2.786 1.756 1.00 0.00 H new ATOM 0 HA ARG A 94 -14.616 3.832 2.232 1.00 0.00 H new ATOM 0 HB2 ARG A 94 -17.368 4.707 3.181 1.00 0.00 H new ATOM 0 HB3 ARG A 94 -15.926 5.687 3.355 1.00 0.00 H new ATOM 0 HG2 ARG A 94 -16.661 6.555 1.375 1.00 0.00 H new ATOM 0 HG3 ARG A 94 -15.734 5.221 0.719 1.00 0.00 H new ATOM 0 HD2 ARG A 94 -17.646 3.922 0.281 1.00 0.00 H new ATOM 0 HD3 ARG A 94 -18.624 4.773 1.460 1.00 0.00 H new ATOM 0 HE ARG A 94 -18.170 5.528 -1.326 1.00 0.00 H new ATOM 0 HH11 ARG A 94 -19.037 6.690 1.899 1.00 0.00 H new ATOM 0 HH12 ARG A 94 -19.908 8.097 1.280 1.00 0.00 H new ATOM 0 HH21 ARG A 94 -19.290 7.338 -2.104 1.00 0.00 H new ATOM 0 HH22 ARG A 94 -20.050 8.462 -0.972 1.00 0.00 H new ATOM 1473 N THR A 95 -16.038 2.530 4.860 1.00 0.00 N ATOM 1474 CA THR A 95 -15.841 2.116 6.227 1.00 0.00 C ATOM 1475 C THR A 95 -14.667 1.151 6.346 1.00 0.00 C ATOM 1476 O THR A 95 -13.784 1.332 7.182 1.00 0.00 O ATOM 1477 CB THR A 95 -17.116 1.462 6.724 1.00 0.00 C ATOM 1478 OG1 THR A 95 -18.215 1.798 5.892 1.00 0.00 O ATOM 1479 CG2 THR A 95 -17.475 1.854 8.131 1.00 0.00 C ATOM 0 H THR A 95 -16.890 2.165 4.434 1.00 0.00 H new ATOM 0 HA THR A 95 -15.608 2.989 6.836 1.00 0.00 H new ATOM 0 HB THR A 95 -16.917 0.391 6.699 1.00 0.00 H new ATOM 0 HG1 THR A 95 -19.026 1.364 6.230 1.00 0.00 H new ATOM 0 HG21 THR A 95 -18.397 1.352 8.425 1.00 0.00 H new ATOM 0 HG22 THR A 95 -16.671 1.562 8.807 1.00 0.00 H new ATOM 0 HG23 THR A 95 -17.618 2.933 8.183 1.00 0.00 H new ATOM 1487 N VAL A 96 -14.662 0.127 5.498 1.00 0.00 N ATOM 1488 CA VAL A 96 -13.593 -0.863 5.506 1.00 0.00 C ATOM 1489 C VAL A 96 -12.245 -0.197 5.257 1.00 0.00 C ATOM 1490 O VAL A 96 -11.246 -0.536 5.891 1.00 0.00 O ATOM 1491 CB VAL A 96 -13.826 -1.956 4.443 1.00 0.00 C ATOM 1492 CG1 VAL A 96 -12.738 -3.019 4.514 1.00 0.00 C ATOM 1493 CG2 VAL A 96 -15.202 -2.582 4.616 1.00 0.00 C ATOM 0 H VAL A 96 -15.385 -0.038 4.798 1.00 0.00 H new ATOM 0 HA VAL A 96 -13.593 -1.331 6.490 1.00 0.00 H new ATOM 0 HB VAL A 96 -13.781 -1.491 3.458 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -12.922 -3.780 3.755 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -11.766 -2.558 4.337 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -12.745 -3.482 5.501 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -15.350 -3.351 3.858 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -15.276 -3.030 5.607 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -15.968 -1.814 4.507 1.00 0.00 H new ATOM 1503 N MET A 97 -12.228 0.760 4.336 1.00 0.00 N ATOM 1504 CA MET A 97 -11.006 1.482 4.011 1.00 0.00 C ATOM 1505 C MET A 97 -10.515 2.269 5.221 1.00 0.00 C ATOM 1506 O MET A 97 -9.312 2.429 5.425 1.00 0.00 O ATOM 1507 CB MET A 97 -11.240 2.428 2.832 1.00 0.00 C ATOM 1508 CG MET A 97 -11.405 1.711 1.502 1.00 0.00 C ATOM 1509 SD MET A 97 -10.274 2.320 0.236 1.00 0.00 S ATOM 1510 CE MET A 97 -10.565 4.083 0.338 1.00 0.00 C ATOM 0 H MET A 97 -13.046 1.053 3.802 1.00 0.00 H new ATOM 0 HA MET A 97 -10.243 0.755 3.731 1.00 0.00 H new ATOM 0 HB2 MET A 97 -12.131 3.025 3.027 1.00 0.00 H new ATOM 0 HB3 MET A 97 -10.402 3.121 2.761 1.00 0.00 H new ATOM 0 HG2 MET A 97 -11.240 0.643 1.647 1.00 0.00 H new ATOM 0 HG3 MET A 97 -12.431 1.831 1.154 1.00 0.00 H new ATOM 0 HE1 MET A 97 -9.910 4.601 -0.362 1.00 0.00 H new ATOM 0 HE2 MET A 97 -11.604 4.295 0.087 1.00 0.00 H new ATOM 0 HE3 MET A 97 -10.358 4.428 1.351 1.00 0.00 H new ATOM 1520 N ASP A 98 -11.458 2.755 6.023 1.00 0.00 N ATOM 1521 CA ASP A 98 -11.122 3.522 7.215 1.00 0.00 C ATOM 1522 C ASP A 98 -10.394 2.651 8.229 1.00 0.00 C ATOM 1523 O ASP A 98 -9.498 3.111 8.934 1.00 0.00 O ATOM 1524 CB ASP A 98 -12.384 4.115 7.843 1.00 0.00 C ATOM 1525 CG ASP A 98 -13.044 5.148 6.949 1.00 0.00 C ATOM 1526 OD1 ASP A 98 -12.379 5.631 6.008 1.00 0.00 O ATOM 1527 OD2 ASP A 98 -14.226 5.473 7.190 1.00 0.00 O ATOM 0 H ASP A 98 -12.459 2.631 5.868 1.00 0.00 H new ATOM 0 HA ASP A 98 -10.461 4.336 6.919 1.00 0.00 H new ATOM 0 HB2 ASP A 98 -13.093 3.314 8.053 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -12.130 4.574 8.798 1.00 0.00 H new ATOM 1532 N ASN A 99 -10.788 1.388 8.290 1.00 0.00 N ATOM 1533 CA ASN A 99 -10.176 0.439 9.211 1.00 0.00 C ATOM 1534 C ASN A 99 -8.745 0.124 8.792 1.00 0.00 C ATOM 1535 O ASN A 99 -7.848 0.033 9.629 1.00 0.00 O ATOM 1536 CB ASN A 99 -11.000 -0.849 9.275 1.00 0.00 C ATOM 1537 CG ASN A 99 -12.427 -0.600 9.723 1.00 0.00 C ATOM 1538 OD1 ASN A 99 -12.672 0.173 10.647 1.00 0.00 O ATOM 1539 ND2 ASN A 99 -13.376 -1.259 9.068 1.00 0.00 N ATOM 0 H ASN A 99 -11.530 0.995 7.712 1.00 0.00 H new ATOM 0 HA ASN A 99 -10.154 0.894 10.201 1.00 0.00 H new ATOM 0 HB2 ASN A 99 -11.008 -1.322 8.293 1.00 0.00 H new ATOM 0 HB3 ASN A 99 -10.523 -1.549 9.962 1.00 0.00 H new ATOM 0 HD21 ASN A 99 -14.355 -1.133 9.326 1.00 0.00 H new ATOM 0 HD22 ASN A 99 -13.126 -1.891 8.307 1.00 0.00 H new ATOM 1546 N ILE A 100 -8.538 -0.038 7.489 1.00 0.00 N ATOM 1547 CA ILE A 100 -7.214 -0.336 6.959 1.00 0.00 C ATOM 1548 C ILE A 100 -6.247 0.805 7.250 1.00 0.00 C ATOM 1549 O ILE A 100 -5.166 0.592 7.798 1.00 0.00 O ATOM 1550 CB ILE A 100 -7.258 -0.585 5.436 1.00 0.00 C ATOM 1551 CG1 ILE A 100 -8.281 -1.675 5.102 1.00 0.00 C ATOM 1552 CG2 ILE A 100 -5.880 -0.965 4.915 1.00 0.00 C ATOM 1553 CD1 ILE A 100 -7.859 -3.059 5.544 1.00 0.00 C ATOM 0 H ILE A 100 -9.270 0.032 6.782 1.00 0.00 H new ATOM 0 HA ILE A 100 -6.867 -1.243 7.454 1.00 0.00 H new ATOM 0 HB ILE A 100 -7.565 0.338 4.945 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -9.231 -1.426 5.574 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -8.452 -1.683 4.026 1.00 0.00 H new ATOM 0 HG21 ILE A 100 -5.932 -1.136 3.840 1.00 0.00 H new ATOM 0 HG22 ILE A 100 -5.178 -0.157 5.120 1.00 0.00 H new ATOM 0 HG23 ILE A 100 -5.541 -1.874 5.411 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -8.632 -3.779 5.274 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -6.925 -3.329 5.052 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -7.716 -3.068 6.625 1.00 0.00 H new ATOM 1565 N LYS A 101 -6.649 2.017 6.885 1.00 0.00 N ATOM 1566 CA LYS A 101 -5.823 3.195 7.113 1.00 0.00 C ATOM 1567 C LYS A 101 -5.638 3.443 8.604 1.00 0.00 C ATOM 1568 O LYS A 101 -4.638 4.016 9.033 1.00 0.00 O ATOM 1569 CB LYS A 101 -6.457 4.425 6.464 1.00 0.00 C ATOM 1570 CG LYS A 101 -6.833 4.225 5.006 1.00 0.00 C ATOM 1571 CD LYS A 101 -8.071 5.029 4.633 1.00 0.00 C ATOM 1572 CE LYS A 101 -7.920 6.503 4.981 1.00 0.00 C ATOM 1573 NZ LYS A 101 -6.551 7.013 4.686 1.00 0.00 N ATOM 0 H LYS A 101 -7.542 2.209 6.430 1.00 0.00 H new ATOM 0 HA LYS A 101 -4.847 3.015 6.662 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -7.350 4.700 7.025 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -5.763 5.262 6.539 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -5.999 4.523 4.370 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -7.015 3.167 4.818 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -8.262 4.926 3.565 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -8.938 4.621 5.152 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -8.651 7.084 4.419 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -8.141 6.650 6.038 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -6.618 7.947 4.234 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -6.013 7.095 5.572 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -6.065 6.353 4.045 1.00 0.00 H new ATOM 1587 N MET A 102 -6.617 3.009 9.386 1.00 0.00 N ATOM 1588 CA MET A 102 -6.579 3.182 10.832 1.00 0.00 C ATOM 1589 C MET A 102 -5.666 2.153 11.482 1.00 0.00 C ATOM 1590 O MET A 102 -4.973 2.453 12.454 1.00 0.00 O ATOM 1591 CB MET A 102 -7.987 3.077 11.422 1.00 0.00 C ATOM 1592 CG MET A 102 -8.730 4.403 11.461 1.00 0.00 C ATOM 1593 SD MET A 102 -10.193 4.351 12.514 1.00 0.00 S ATOM 1594 CE MET A 102 -11.171 3.108 11.674 1.00 0.00 C ATOM 0 H MET A 102 -7.451 2.533 9.042 1.00 0.00 H new ATOM 0 HA MET A 102 -6.181 4.175 11.039 1.00 0.00 H new ATOM 0 HB2 MET A 102 -8.565 2.363 10.836 1.00 0.00 H new ATOM 0 HB3 MET A 102 -7.919 2.678 12.434 1.00 0.00 H new ATOM 0 HG2 MET A 102 -8.057 5.181 11.820 1.00 0.00 H new ATOM 0 HG3 MET A 102 -9.026 4.679 10.449 1.00 0.00 H new ATOM 0 HE1 MET A 102 -12.152 3.039 12.143 1.00 0.00 H new ATOM 0 HE2 MET A 102 -11.289 3.384 10.626 1.00 0.00 H new ATOM 0 HE3 MET A 102 -10.668 2.143 11.740 1.00 0.00 H new ATOM 1604 N THR A 103 -5.671 0.937 10.946 1.00 0.00 N ATOM 1605 CA THR A 103 -4.842 -0.127 11.487 1.00 0.00 C ATOM 1606 C THR A 103 -3.411 -0.027 10.962 1.00 0.00 C ATOM 1607 O THR A 103 -2.453 -0.262 11.698 1.00 0.00 O ATOM 1608 CB THR A 103 -5.459 -1.484 11.160 1.00 0.00 C ATOM 1609 OG1 THR A 103 -5.863 -2.145 12.346 1.00 0.00 O ATOM 1610 CG2 THR A 103 -4.523 -2.400 10.426 1.00 0.00 C ATOM 0 H THR A 103 -6.238 0.667 10.142 1.00 0.00 H new ATOM 0 HA THR A 103 -4.798 -0.020 12.571 1.00 0.00 H new ATOM 0 HB THR A 103 -6.311 -1.269 10.515 1.00 0.00 H new ATOM 0 HG1 THR A 103 -6.813 -2.379 12.283 1.00 0.00 H new ATOM 0 HG21 THR A 103 -5.024 -3.347 10.225 1.00 0.00 H new ATOM 0 HG22 THR A 103 -4.227 -1.939 9.484 1.00 0.00 H new ATOM 0 HG23 THR A 103 -3.638 -2.580 11.036 1.00 0.00 H new ATOM 1618 N LEU A 104 -3.270 0.324 9.688 1.00 0.00 N ATOM 1619 CA LEU A 104 -1.953 0.450 9.081 1.00 0.00 C ATOM 1620 C LEU A 104 -1.157 1.571 9.740 1.00 0.00 C ATOM 1621 O LEU A 104 0.043 1.439 9.969 1.00 0.00 O ATOM 1622 CB LEU A 104 -2.080 0.706 7.580 1.00 0.00 C ATOM 1623 CG LEU A 104 -2.216 -0.551 6.720 1.00 0.00 C ATOM 1624 CD1 LEU A 104 -2.454 -0.179 5.264 1.00 0.00 C ATOM 1625 CD2 LEU A 104 -0.975 -1.425 6.855 1.00 0.00 C ATOM 0 H LEU A 104 -4.048 0.525 9.060 1.00 0.00 H new ATOM 0 HA LEU A 104 -1.418 -0.487 9.234 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -2.948 1.342 7.407 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -1.205 1.264 7.246 1.00 0.00 H new ATOM 0 HG LEU A 104 -3.077 -1.119 7.073 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -2.548 -1.086 4.667 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -3.371 0.405 5.183 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -1.614 0.411 4.897 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -1.088 -2.315 6.237 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -0.099 -0.865 6.528 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -0.849 -1.720 7.897 1.00 0.00 H new ATOM 1637 N GLN A 105 -1.837 2.672 10.050 1.00 0.00 N ATOM 1638 CA GLN A 105 -1.190 3.813 10.687 1.00 0.00 C ATOM 1639 C GLN A 105 -0.684 3.444 12.077 1.00 0.00 C ATOM 1640 O GLN A 105 0.302 4.001 12.559 1.00 0.00 O ATOM 1641 CB GLN A 105 -2.158 4.995 10.775 1.00 0.00 C ATOM 1642 CG GLN A 105 -1.859 6.102 9.778 1.00 0.00 C ATOM 1643 CD GLN A 105 -3.116 6.714 9.191 1.00 0.00 C ATOM 1644 OE1 GLN A 105 -4.228 6.404 9.618 1.00 0.00 O ATOM 1645 NE2 GLN A 105 -2.946 7.587 8.205 1.00 0.00 N ATOM 0 H GLN A 105 -2.833 2.797 9.871 1.00 0.00 H new ATOM 0 HA GLN A 105 -0.335 4.103 10.076 1.00 0.00 H new ATOM 0 HB2 GLN A 105 -3.174 4.635 10.611 1.00 0.00 H new ATOM 0 HB3 GLN A 105 -2.124 5.407 11.784 1.00 0.00 H new ATOM 0 HG2 GLN A 105 -1.276 6.881 10.270 1.00 0.00 H new ATOM 0 HG3 GLN A 105 -1.243 5.703 8.972 1.00 0.00 H new ATOM 0 HE21 GLN A 105 -2.006 7.815 7.882 1.00 0.00 H new ATOM 0 HE22 GLN A 105 -3.756 8.030 7.771 1.00 0.00 H new ATOM 1654 N GLN A 106 -1.365 2.500 12.711 1.00 0.00 N ATOM 1655 CA GLN A 106 -0.986 2.051 14.044 1.00 0.00 C ATOM 1656 C GLN A 106 0.328 1.277 14.005 1.00 0.00 C ATOM 1657 O GLN A 106 1.104 1.305 14.960 1.00 0.00 O ATOM 1658 CB GLN A 106 -2.089 1.176 14.644 1.00 0.00 C ATOM 1659 CG GLN A 106 -3.319 1.959 15.072 1.00 0.00 C ATOM 1660 CD GLN A 106 -4.462 1.060 15.502 1.00 0.00 C ATOM 1661 OE1 GLN A 106 -4.478 -0.132 15.196 1.00 0.00 O ATOM 1662 NE2 GLN A 106 -5.425 1.627 16.219 1.00 0.00 N ATOM 0 H GLN A 106 -2.183 2.030 12.324 1.00 0.00 H new ATOM 0 HA GLN A 106 -0.849 2.932 14.671 1.00 0.00 H new ATOM 0 HB2 GLN A 106 -2.383 0.424 13.912 1.00 0.00 H new ATOM 0 HB3 GLN A 106 -1.690 0.642 15.506 1.00 0.00 H new ATOM 0 HG2 GLN A 106 -3.054 2.623 15.895 1.00 0.00 H new ATOM 0 HG3 GLN A 106 -3.649 2.590 14.247 1.00 0.00 H new ATOM 0 HE21 GLN A 106 -5.372 2.619 16.450 1.00 0.00 H new ATOM 0 HE22 GLN A 106 -6.218 1.071 16.539 1.00 0.00 H new ATOM 1671 N ILE A 107 0.567 0.586 12.896 1.00 0.00 N ATOM 1672 CA ILE A 107 1.787 -0.198 12.736 1.00 0.00 C ATOM 1673 C ILE A 107 2.990 0.699 12.469 1.00 0.00 C ATOM 1674 O ILE A 107 4.040 0.538 13.092 1.00 0.00 O ATOM 1675 CB ILE A 107 1.645 -1.230 11.596 1.00 0.00 C ATOM 1676 CG1 ILE A 107 0.454 -2.151 11.865 1.00 0.00 C ATOM 1677 CG2 ILE A 107 2.924 -2.041 11.446 1.00 0.00 C ATOM 1678 CD1 ILE A 107 -0.378 -2.439 10.636 1.00 0.00 C ATOM 0 H ILE A 107 -0.065 0.552 12.096 1.00 0.00 H new ATOM 0 HA ILE A 107 1.949 -0.731 13.673 1.00 0.00 H new ATOM 0 HB ILE A 107 1.469 -0.696 10.662 1.00 0.00 H new ATOM 0 HG12 ILE A 107 0.819 -3.093 12.275 1.00 0.00 H new ATOM 0 HG13 ILE A 107 -0.181 -1.697 12.625 1.00 0.00 H new ATOM 0 HG21 ILE A 107 2.805 -2.763 10.638 1.00 0.00 H new ATOM 0 HG22 ILE A 107 3.754 -1.373 11.216 1.00 0.00 H new ATOM 0 HG23 ILE A 107 3.131 -2.569 12.377 1.00 0.00 H new ATOM 0 HD11 ILE A 107 -1.204 -3.098 10.902 1.00 0.00 H new ATOM 0 HD12 ILE A 107 -0.773 -1.505 10.237 1.00 0.00 H new ATOM 0 HD13 ILE A 107 0.243 -2.922 9.881 1.00 0.00 H new ATOM 1690 N ILE A 108 2.833 1.655 11.559 1.00 0.00 N ATOM 1691 CA ILE A 108 3.921 2.579 11.243 1.00 0.00 C ATOM 1692 C ILE A 108 4.340 3.306 12.498 1.00 0.00 C ATOM 1693 O ILE A 108 5.476 3.198 12.959 1.00 0.00 O ATOM 1694 CB ILE A 108 3.523 3.640 10.196 1.00 0.00 C ATOM 1695 CG1 ILE A 108 2.620 3.048 9.117 1.00 0.00 C ATOM 1696 CG2 ILE A 108 4.767 4.252 9.570 1.00 0.00 C ATOM 1697 CD1 ILE A 108 1.677 4.065 8.515 1.00 0.00 C ATOM 0 H ILE A 108 1.974 1.811 11.032 1.00 0.00 H new ATOM 0 HA ILE A 108 4.731 1.978 10.830 1.00 0.00 H new ATOM 0 HB ILE A 108 2.961 4.422 10.707 1.00 0.00 H new ATOM 0 HG12 ILE A 108 3.238 2.621 8.327 1.00 0.00 H new ATOM 0 HG13 ILE A 108 2.040 2.230 9.545 1.00 0.00 H new ATOM 0 HG21 ILE A 108 4.473 4.999 8.833 1.00 0.00 H new ATOM 0 HG22 ILE A 108 5.370 4.725 10.346 1.00 0.00 H new ATOM 0 HG23 ILE A 108 5.351 3.471 9.082 1.00 0.00 H new ATOM 0 HD11 ILE A 108 1.061 3.585 7.755 1.00 0.00 H new ATOM 0 HD12 ILE A 108 1.036 4.474 9.296 1.00 0.00 H new ATOM 0 HD13 ILE A 108 2.253 4.871 8.060 1.00 0.00 H new ATOM 1709 N SER A 109 3.391 4.035 13.047 1.00 0.00 N ATOM 1710 CA SER A 109 3.612 4.790 14.274 1.00 0.00 C ATOM 1711 C SER A 109 4.225 3.893 15.345 1.00 0.00 C ATOM 1712 O SER A 109 4.967 4.355 16.210 1.00 0.00 O ATOM 1713 CB SER A 109 2.299 5.391 14.779 1.00 0.00 C ATOM 1714 OG SER A 109 1.685 6.186 13.780 1.00 0.00 O ATOM 0 H SER A 109 2.450 4.124 12.663 1.00 0.00 H new ATOM 0 HA SER A 109 4.305 5.603 14.057 1.00 0.00 H new ATOM 0 HB2 SER A 109 1.621 4.592 15.080 1.00 0.00 H new ATOM 0 HB3 SER A 109 2.490 5.997 15.665 1.00 0.00 H new ATOM 0 HG SER A 109 1.129 5.618 13.206 1.00 0.00 H new ATOM 1720 N ARG A 110 3.914 2.603 15.266 1.00 0.00 N ATOM 1721 CA ARG A 110 4.439 1.631 16.215 1.00 0.00 C ATOM 1722 C ARG A 110 5.951 1.536 16.096 1.00 0.00 C ATOM 1723 O ARG A 110 6.667 1.469 17.096 1.00 0.00 O ATOM 1724 CB ARG A 110 3.805 0.257 15.974 1.00 0.00 C ATOM 1725 CG ARG A 110 3.007 -0.263 17.157 1.00 0.00 C ATOM 1726 CD ARG A 110 2.653 -1.731 16.983 1.00 0.00 C ATOM 1727 NE ARG A 110 1.814 -2.224 18.072 1.00 0.00 N ATOM 1728 CZ ARG A 110 0.539 -1.883 18.240 1.00 0.00 C ATOM 1729 NH1 ARG A 110 -0.049 -1.046 17.393 1.00 0.00 N ATOM 1730 NH2 ARG A 110 -0.152 -2.379 19.258 1.00 0.00 N ATOM 0 H ARG A 110 3.300 2.208 14.554 1.00 0.00 H new ATOM 0 HA ARG A 110 4.188 1.962 17.223 1.00 0.00 H new ATOM 0 HB2 ARG A 110 3.151 0.316 15.104 1.00 0.00 H new ATOM 0 HB3 ARG A 110 4.591 -0.459 15.734 1.00 0.00 H new ATOM 0 HG2 ARG A 110 3.583 -0.132 18.073 1.00 0.00 H new ATOM 0 HG3 ARG A 110 2.094 0.323 17.268 1.00 0.00 H new ATOM 0 HD2 ARG A 110 2.134 -1.869 16.034 1.00 0.00 H new ATOM 0 HD3 ARG A 110 3.568 -2.321 16.934 1.00 0.00 H new ATOM 0 HE ARG A 110 2.230 -2.868 18.744 1.00 0.00 H new ATOM 0 HH11 ARG A 110 0.477 -0.661 16.609 1.00 0.00 H new ATOM 0 HH12 ARG A 110 -1.027 -0.788 17.527 1.00 0.00 H new ATOM 0 HH21 ARG A 110 0.294 -3.022 19.912 1.00 0.00 H new ATOM 0 HH22 ARG A 110 -1.129 -2.117 19.387 1.00 0.00 H new ATOM 1744 N TYR A 111 6.427 1.544 14.862 1.00 0.00 N ATOM 1745 CA TYR A 111 7.857 1.470 14.590 1.00 0.00 C ATOM 1746 C TYR A 111 8.487 2.854 14.687 1.00 0.00 C ATOM 1747 O TYR A 111 9.657 2.992 15.041 1.00 0.00 O ATOM 1748 CB TYR A 111 8.106 0.868 13.206 1.00 0.00 C ATOM 1749 CG TYR A 111 7.829 -0.618 13.140 1.00 0.00 C ATOM 1750 CD1 TYR A 111 8.781 -1.540 13.560 1.00 0.00 C ATOM 1751 CD2 TYR A 111 6.618 -1.099 12.660 1.00 0.00 C ATOM 1752 CE1 TYR A 111 8.530 -2.897 13.506 1.00 0.00 C ATOM 1753 CE2 TYR A 111 6.360 -2.455 12.602 1.00 0.00 C ATOM 1754 CZ TYR A 111 7.319 -3.350 13.026 1.00 0.00 C ATOM 1755 OH TYR A 111 7.068 -4.701 12.970 1.00 0.00 O ATOM 0 H TYR A 111 5.843 1.601 14.028 1.00 0.00 H new ATOM 0 HA TYR A 111 8.319 0.825 15.337 1.00 0.00 H new ATOM 0 HB2 TYR A 111 7.478 1.380 12.477 1.00 0.00 H new ATOM 0 HB3 TYR A 111 9.142 1.050 12.919 1.00 0.00 H new ATOM 0 HD1 TYR A 111 9.732 -1.190 13.934 1.00 0.00 H new ATOM 0 HD2 TYR A 111 5.865 -0.401 12.326 1.00 0.00 H new ATOM 0 HE1 TYR A 111 9.279 -3.601 13.838 1.00 0.00 H new ATOM 0 HE2 TYR A 111 5.412 -2.812 12.227 1.00 0.00 H new ATOM 0 HH TYR A 111 7.560 -5.155 13.686 1.00 0.00 H new ATOM 1765 N LYS A 112 7.695 3.877 14.380 1.00 0.00 N ATOM 1766 CA LYS A 112 8.163 5.254 14.441 1.00 0.00 C ATOM 1767 C LYS A 112 8.542 5.626 15.869 1.00 0.00 C ATOM 1768 O LYS A 112 9.569 6.261 16.109 1.00 0.00 O ATOM 1769 CB LYS A 112 7.079 6.200 13.929 1.00 0.00 C ATOM 1770 CG LYS A 112 6.681 5.939 12.488 1.00 0.00 C ATOM 1771 CD LYS A 112 6.541 7.235 11.713 1.00 0.00 C ATOM 1772 CE LYS A 112 5.540 7.101 10.579 1.00 0.00 C ATOM 1773 NZ LYS A 112 5.205 8.419 9.973 1.00 0.00 N ATOM 0 H LYS A 112 6.724 3.776 14.086 1.00 0.00 H new ATOM 0 HA LYS A 112 9.046 5.347 13.809 1.00 0.00 H new ATOM 0 HB2 LYS A 112 6.198 6.108 14.564 1.00 0.00 H new ATOM 0 HB3 LYS A 112 7.431 7.227 14.020 1.00 0.00 H new ATOM 0 HG2 LYS A 112 7.429 5.306 12.011 1.00 0.00 H new ATOM 0 HG3 LYS A 112 5.738 5.393 12.462 1.00 0.00 H new ATOM 0 HD2 LYS A 112 6.224 8.031 12.387 1.00 0.00 H new ATOM 0 HD3 LYS A 112 7.511 7.526 11.311 1.00 0.00 H new ATOM 0 HE2 LYS A 112 5.947 6.442 9.812 1.00 0.00 H new ATOM 0 HE3 LYS A 112 4.630 6.632 10.952 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 4.519 8.283 9.203 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 4.793 9.040 10.698 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 6.069 8.856 9.593 1.00 0.00 H new ATOM 1787 N ASP A 113 7.700 5.222 16.815 1.00 0.00 N ATOM 1788 CA ASP A 113 7.934 5.504 18.227 1.00 0.00 C ATOM 1789 C ASP A 113 9.260 4.906 18.688 1.00 0.00 C ATOM 1790 O ASP A 113 9.981 5.509 19.484 1.00 0.00 O ATOM 1791 CB ASP A 113 6.787 4.950 19.074 1.00 0.00 C ATOM 1792 CG ASP A 113 6.940 5.281 20.545 1.00 0.00 C ATOM 1793 OD1 ASP A 113 7.769 6.155 20.875 1.00 0.00 O ATOM 1794 OD2 ASP A 113 6.230 4.667 21.369 1.00 0.00 O ATOM 0 H ASP A 113 6.846 4.696 16.628 1.00 0.00 H new ATOM 0 HA ASP A 113 7.981 6.585 18.355 1.00 0.00 H new ATOM 0 HB2 ASP A 113 5.843 5.355 18.710 1.00 0.00 H new ATOM 0 HB3 ASP A 113 6.739 3.868 18.951 1.00 0.00 H new ATOM 1799 N ALA A 114 9.574 3.719 18.182 1.00 0.00 N ATOM 1800 CA ALA A 114 10.812 3.039 18.542 1.00 0.00 C ATOM 1801 C ALA A 114 12.029 3.826 18.069 1.00 0.00 C ATOM 1802 O ALA A 114 13.080 3.810 18.710 1.00 0.00 O ATOM 1803 CB ALA A 114 10.829 1.634 17.958 1.00 0.00 C ATOM 0 H ALA A 114 8.988 3.208 17.521 1.00 0.00 H new ATOM 0 HA ALA A 114 10.858 2.970 19.629 1.00 0.00 H new ATOM 0 HB1 ALA A 114 11.759 1.137 18.234 1.00 0.00 H new ATOM 0 HB2 ALA A 114 9.984 1.067 18.349 1.00 0.00 H new ATOM 0 HB3 ALA A 114 10.756 1.691 16.872 1.00 0.00 H new ATOM 1809 N ASP A 115 11.880 4.515 16.941 1.00 0.00 N ATOM 1810 CA ASP A 115 12.968 5.309 16.382 1.00 0.00 C ATOM 1811 C ASP A 115 12.529 6.751 16.158 1.00 0.00 C ATOM 1812 O ASP A 115 11.769 6.997 15.197 1.00 0.00 O ATOM 1813 CB ASP A 115 13.445 4.698 15.062 1.00 0.00 C ATOM 1814 CG ASP A 115 14.663 5.407 14.503 1.00 0.00 C ATOM 1815 OD1 ASP A 115 15.302 6.174 15.254 1.00 0.00 O ATOM 1816 OD2 ASP A 115 14.981 5.194 13.314 1.00 0.00 O ATOM 1817 OXT ASP A 115 12.947 7.626 16.946 1.00 0.00 O ATOM 0 H ASP A 115 11.017 4.539 16.397 1.00 0.00 H new ATOM 0 HA ASP A 115 13.792 5.306 17.096 1.00 0.00 H new ATOM 0 HB2 ASP A 115 13.680 3.645 15.216 1.00 0.00 H new ATOM 0 HB3 ASP A 115 12.637 4.740 14.332 1.00 0.00 H new TER 1822 ASP A 115 ATOM 1823 N LEU B 45 -2.222 1.684 -17.736 1.00 0.00 N ATOM 1824 CA LEU B 45 -2.177 3.104 -17.299 1.00 0.00 C ATOM 1825 C LEU B 45 -0.758 3.527 -16.931 1.00 0.00 C ATOM 1826 O LEU B 45 0.186 2.748 -17.060 1.00 0.00 O ATOM 1827 CB LEU B 45 -3.121 3.293 -16.101 1.00 0.00 C ATOM 1828 CG LEU B 45 -3.016 2.246 -14.981 1.00 0.00 C ATOM 1829 CD1 LEU B 45 -3.636 0.925 -15.412 1.00 0.00 C ATOM 1830 CD2 LEU B 45 -1.569 2.046 -14.554 1.00 0.00 C ATOM 0 HA LEU B 45 -2.502 3.736 -18.126 1.00 0.00 H new ATOM 0 HB2 LEU B 45 -2.934 4.276 -15.669 1.00 0.00 H new ATOM 0 HB3 LEU B 45 -4.146 3.297 -16.471 1.00 0.00 H new ATOM 0 HG LEU B 45 -3.574 2.620 -14.122 1.00 0.00 H new ATOM 0 HD11 LEU B 45 -3.549 0.201 -14.602 1.00 0.00 H new ATOM 0 HD12 LEU B 45 -4.689 1.078 -15.651 1.00 0.00 H new ATOM 0 HD13 LEU B 45 -3.115 0.549 -16.293 1.00 0.00 H new ATOM 0 HD21 LEU B 45 -1.524 1.300 -13.760 1.00 0.00 H new ATOM 0 HD22 LEU B 45 -0.982 1.705 -15.407 1.00 0.00 H new ATOM 0 HD23 LEU B 45 -1.164 2.990 -14.189 1.00 0.00 H new ATOM 1842 N SER B 46 -0.615 4.767 -16.475 1.00 0.00 N ATOM 1843 CA SER B 46 0.687 5.295 -16.089 1.00 0.00 C ATOM 1844 C SER B 46 0.626 5.938 -14.705 1.00 0.00 C ATOM 1845 O SER B 46 -0.457 6.168 -14.167 1.00 0.00 O ATOM 1846 CB SER B 46 1.171 6.317 -17.118 1.00 0.00 C ATOM 1847 OG SER B 46 1.988 5.703 -18.101 1.00 0.00 O ATOM 0 H SER B 46 -1.386 5.425 -16.364 1.00 0.00 H new ATOM 0 HA SER B 46 1.392 4.464 -16.053 1.00 0.00 H new ATOM 0 HB2 SER B 46 0.314 6.790 -17.597 1.00 0.00 H new ATOM 0 HB3 SER B 46 1.731 7.106 -16.616 1.00 0.00 H new ATOM 0 HG SER B 46 2.283 6.377 -18.748 1.00 0.00 H new ATOM 1853 N PRO B 47 1.791 6.236 -14.109 1.00 0.00 N ATOM 1854 CA PRO B 47 1.863 6.857 -12.783 1.00 0.00 C ATOM 1855 C PRO B 47 0.985 8.098 -12.672 1.00 0.00 C ATOM 1856 O PRO B 47 0.251 8.267 -11.698 1.00 0.00 O ATOM 1857 CB PRO B 47 3.336 7.238 -12.651 1.00 0.00 C ATOM 1858 CG PRO B 47 4.056 6.273 -13.529 1.00 0.00 C ATOM 1859 CD PRO B 47 3.130 5.995 -14.680 1.00 0.00 C ATOM 0 HA PRO B 47 1.507 6.186 -12.001 1.00 0.00 H new ATOM 0 HB2 PRO B 47 3.509 8.267 -12.968 1.00 0.00 H new ATOM 0 HB3 PRO B 47 3.674 7.161 -11.618 1.00 0.00 H new ATOM 0 HG2 PRO B 47 5.000 6.692 -13.879 1.00 0.00 H new ATOM 0 HG3 PRO B 47 4.295 5.357 -12.989 1.00 0.00 H new ATOM 0 HD2 PRO B 47 3.331 6.654 -15.525 1.00 0.00 H new ATOM 0 HD3 PRO B 47 3.234 4.972 -15.041 1.00 0.00 H new ATOM 1867 N ASP B 48 1.065 8.962 -13.676 1.00 0.00 N ATOM 1868 CA ASP B 48 0.279 10.191 -13.693 1.00 0.00 C ATOM 1869 C ASP B 48 -1.211 9.882 -13.740 1.00 0.00 C ATOM 1870 O ASP B 48 -2.028 10.630 -13.203 1.00 0.00 O ATOM 1871 CB ASP B 48 0.670 11.054 -14.894 1.00 0.00 C ATOM 1872 CG ASP B 48 0.019 12.423 -14.858 1.00 0.00 C ATOM 1873 OD1 ASP B 48 0.565 13.323 -14.188 1.00 0.00 O ATOM 1874 OD2 ASP B 48 -1.039 12.592 -15.500 1.00 0.00 O ATOM 0 H ASP B 48 1.666 8.835 -14.490 1.00 0.00 H new ATOM 0 HA ASP B 48 0.489 10.740 -12.775 1.00 0.00 H new ATOM 0 HB2 ASP B 48 1.754 11.170 -14.917 1.00 0.00 H new ATOM 0 HB3 ASP B 48 0.385 10.543 -15.814 1.00 0.00 H new ATOM 1879 N ASP B 49 -1.560 8.774 -14.384 1.00 0.00 N ATOM 1880 CA ASP B 49 -2.956 8.366 -14.501 1.00 0.00 C ATOM 1881 C ASP B 49 -3.541 8.032 -13.134 1.00 0.00 C ATOM 1882 O ASP B 49 -4.683 8.380 -12.834 1.00 0.00 O ATOM 1883 CB ASP B 49 -3.082 7.158 -15.431 1.00 0.00 C ATOM 1884 CG ASP B 49 -2.630 7.465 -16.843 1.00 0.00 C ATOM 1885 OD1 ASP B 49 -2.572 8.660 -17.202 1.00 0.00 O ATOM 1886 OD2 ASP B 49 -2.333 6.510 -17.593 1.00 0.00 O ATOM 0 H ASP B 49 -0.897 8.142 -14.833 1.00 0.00 H new ATOM 0 HA ASP B 49 -3.517 9.200 -14.923 1.00 0.00 H new ATOM 0 HB2 ASP B 49 -2.489 6.334 -15.034 1.00 0.00 H new ATOM 0 HB3 ASP B 49 -4.119 6.824 -15.449 1.00 0.00 H new ATOM 1891 N ILE B 50 -2.751 7.354 -12.309 1.00 0.00 N ATOM 1892 CA ILE B 50 -3.190 6.971 -10.974 1.00 0.00 C ATOM 1893 C ILE B 50 -3.354 8.190 -10.072 1.00 0.00 C ATOM 1894 O ILE B 50 -4.105 8.158 -9.098 1.00 0.00 O ATOM 1895 CB ILE B 50 -2.201 5.987 -10.319 1.00 0.00 C ATOM 1896 CG1 ILE B 50 -1.896 4.827 -11.270 1.00 0.00 C ATOM 1897 CG2 ILE B 50 -2.764 5.466 -9.005 1.00 0.00 C ATOM 1898 CD1 ILE B 50 -3.130 4.072 -11.716 1.00 0.00 C ATOM 0 H ILE B 50 -1.803 7.059 -12.542 1.00 0.00 H new ATOM 0 HA ILE B 50 -4.157 6.481 -11.089 1.00 0.00 H new ATOM 0 HB ILE B 50 -1.271 6.516 -10.110 1.00 0.00 H new ATOM 0 HG12 ILE B 50 -1.379 5.214 -12.148 1.00 0.00 H new ATOM 0 HG13 ILE B 50 -1.214 4.134 -10.778 1.00 0.00 H new ATOM 0 HG21 ILE B 50 -2.054 4.772 -8.555 1.00 0.00 H new ATOM 0 HG22 ILE B 50 -2.936 6.301 -8.326 1.00 0.00 H new ATOM 0 HG23 ILE B 50 -3.706 4.951 -9.192 1.00 0.00 H new ATOM 0 HD11 ILE B 50 -2.839 3.264 -12.388 1.00 0.00 H new ATOM 0 HD12 ILE B 50 -3.636 3.655 -10.845 1.00 0.00 H new ATOM 0 HD13 ILE B 50 -3.804 4.752 -12.237 1.00 0.00 H new ATOM 1910 N GLU B 51 -2.644 9.261 -10.404 1.00 0.00 N ATOM 1911 CA GLU B 51 -2.710 10.493 -9.626 1.00 0.00 C ATOM 1912 C GLU B 51 -4.115 11.085 -9.666 1.00 0.00 C ATOM 1913 O GLU B 51 -4.587 11.657 -8.683 1.00 0.00 O ATOM 1914 CB GLU B 51 -1.698 11.510 -10.156 1.00 0.00 C ATOM 1915 CG GLU B 51 -0.252 11.079 -9.977 1.00 0.00 C ATOM 1916 CD GLU B 51 0.120 10.874 -8.522 1.00 0.00 C ATOM 1917 OE1 GLU B 51 -0.610 11.379 -7.644 1.00 0.00 O ATOM 1918 OE2 GLU B 51 1.142 10.204 -8.260 1.00 0.00 O ATOM 0 H GLU B 51 -2.016 9.302 -11.207 1.00 0.00 H new ATOM 0 HA GLU B 51 -2.465 10.255 -8.591 1.00 0.00 H new ATOM 0 HB2 GLU B 51 -1.889 11.682 -11.215 1.00 0.00 H new ATOM 0 HB3 GLU B 51 -1.851 12.461 -9.646 1.00 0.00 H new ATOM 0 HG2 GLU B 51 -0.083 10.152 -10.525 1.00 0.00 H new ATOM 0 HG3 GLU B 51 0.404 11.832 -10.413 1.00 0.00 H new ATOM 1925 N GLN B 52 -4.777 10.944 -10.809 1.00 0.00 N ATOM 1926 CA GLN B 52 -6.129 11.465 -10.982 1.00 0.00 C ATOM 1927 C GLN B 52 -7.079 10.867 -9.947 1.00 0.00 C ATOM 1928 O GLN B 52 -7.929 11.560 -9.388 1.00 0.00 O ATOM 1929 CB GLN B 52 -6.635 11.163 -12.399 1.00 0.00 C ATOM 1930 CG GLN B 52 -7.368 9.836 -12.523 1.00 0.00 C ATOM 1931 CD GLN B 52 -7.789 9.532 -13.946 1.00 0.00 C ATOM 1932 OE1 GLN B 52 -8.820 10.013 -14.418 1.00 0.00 O ATOM 1933 NE2 GLN B 52 -6.990 8.729 -14.641 1.00 0.00 N ATOM 0 H GLN B 52 -4.399 10.473 -11.631 1.00 0.00 H new ATOM 0 HA GLN B 52 -6.100 12.545 -10.837 1.00 0.00 H new ATOM 0 HB2 GLN B 52 -7.301 11.966 -12.715 1.00 0.00 H new ATOM 0 HB3 GLN B 52 -5.788 11.164 -13.085 1.00 0.00 H new ATOM 0 HG2 GLN B 52 -6.725 9.035 -12.160 1.00 0.00 H new ATOM 0 HG3 GLN B 52 -8.250 9.852 -11.883 1.00 0.00 H new ATOM 0 HE21 GLN B 52 -6.145 8.353 -14.210 1.00 0.00 H new ATOM 0 HE22 GLN B 52 -7.221 8.489 -15.605 1.00 0.00 H new ATOM 1942 N TRP B 53 -6.926 9.569 -9.702 1.00 0.00 N ATOM 1943 CA TRP B 53 -7.762 8.862 -8.742 1.00 0.00 C ATOM 1944 C TRP B 53 -7.688 9.513 -7.365 1.00 0.00 C ATOM 1945 O TRP B 53 -8.648 9.474 -6.595 1.00 0.00 O ATOM 1946 CB TRP B 53 -7.338 7.394 -8.654 1.00 0.00 C ATOM 1947 CG TRP B 53 -7.468 6.661 -9.954 1.00 0.00 C ATOM 1948 CD1 TRP B 53 -6.687 6.811 -11.065 1.00 0.00 C ATOM 1949 CD2 TRP B 53 -8.440 5.660 -10.281 1.00 0.00 C ATOM 1950 NE1 TRP B 53 -7.115 5.973 -12.063 1.00 0.00 N ATOM 1951 CE2 TRP B 53 -8.189 5.253 -11.606 1.00 0.00 C ATOM 1952 CE3 TRP B 53 -9.497 5.069 -9.584 1.00 0.00 C ATOM 1953 CZ2 TRP B 53 -8.958 4.284 -12.245 1.00 0.00 C ATOM 1954 CZ3 TRP B 53 -10.259 4.107 -10.220 1.00 0.00 C ATOM 1955 CH2 TRP B 53 -9.985 3.722 -11.538 1.00 0.00 C ATOM 0 H TRP B 53 -6.226 8.984 -10.159 1.00 0.00 H new ATOM 0 HA TRP B 53 -8.794 8.916 -9.088 1.00 0.00 H new ATOM 0 HB2 TRP B 53 -6.303 7.342 -8.317 1.00 0.00 H new ATOM 0 HB3 TRP B 53 -7.944 6.892 -7.900 1.00 0.00 H new ATOM 0 HD1 TRP B 53 -5.852 7.492 -11.146 1.00 0.00 H new ATOM 0 HE1 TRP B 53 -6.702 5.898 -12.993 1.00 0.00 H new ATOM 0 HE3 TRP B 53 -9.715 5.359 -8.567 1.00 0.00 H new ATOM 0 HZ2 TRP B 53 -8.751 3.987 -13.262 1.00 0.00 H new ATOM 0 HZ3 TRP B 53 -11.079 3.645 -9.691 1.00 0.00 H new ATOM 0 HH2 TRP B 53 -10.597 2.965 -12.006 1.00 0.00 H new ATOM 1966 N PHE B 54 -6.544 10.120 -7.067 1.00 0.00 N ATOM 1967 CA PHE B 54 -6.344 10.785 -5.784 1.00 0.00 C ATOM 1968 C PHE B 54 -6.333 12.306 -5.945 1.00 0.00 C ATOM 1969 O PHE B 54 -6.187 13.037 -4.967 1.00 0.00 O ATOM 1970 CB PHE B 54 -5.035 10.322 -5.147 1.00 0.00 C ATOM 1971 CG PHE B 54 -5.009 8.854 -4.827 1.00 0.00 C ATOM 1972 CD1 PHE B 54 -5.491 8.387 -3.614 1.00 0.00 C ATOM 1973 CD2 PHE B 54 -4.503 7.942 -5.739 1.00 0.00 C ATOM 1974 CE1 PHE B 54 -5.468 7.037 -3.318 1.00 0.00 C ATOM 1975 CE2 PHE B 54 -4.478 6.591 -5.448 1.00 0.00 C ATOM 1976 CZ PHE B 54 -4.962 6.138 -4.235 1.00 0.00 C ATOM 0 H PHE B 54 -5.742 10.165 -7.696 1.00 0.00 H new ATOM 0 HA PHE B 54 -7.176 10.515 -5.134 1.00 0.00 H new ATOM 0 HB2 PHE B 54 -4.211 10.553 -5.821 1.00 0.00 H new ATOM 0 HB3 PHE B 54 -4.866 10.888 -4.231 1.00 0.00 H new ATOM 0 HD1 PHE B 54 -5.889 9.085 -2.893 1.00 0.00 H new ATOM 0 HD2 PHE B 54 -4.124 8.291 -6.688 1.00 0.00 H new ATOM 0 HE1 PHE B 54 -5.846 6.686 -2.369 1.00 0.00 H new ATOM 0 HE2 PHE B 54 -4.081 5.890 -6.167 1.00 0.00 H new ATOM 0 HZ PHE B 54 -4.944 5.083 -4.005 1.00 0.00 H new ATOM 1986 N THR B 55 -6.486 12.779 -7.182 1.00 0.00 N ATOM 1987 CA THR B 55 -6.488 14.210 -7.453 1.00 0.00 C ATOM 1988 C THR B 55 -7.917 14.739 -7.588 1.00 0.00 C ATOM 1989 O THR B 55 -8.189 15.898 -7.281 1.00 0.00 O ATOM 1990 CB THR B 55 -5.672 14.504 -8.714 1.00 0.00 C ATOM 1991 OG1 THR B 55 -4.381 14.976 -8.372 1.00 0.00 O ATOM 1992 CG2 THR B 55 -6.300 15.527 -9.636 1.00 0.00 C ATOM 0 H THR B 55 -6.609 12.192 -8.007 1.00 0.00 H new ATOM 0 HA THR B 55 -6.025 14.725 -6.612 1.00 0.00 H new ATOM 0 HB THR B 55 -5.629 13.553 -9.245 1.00 0.00 H new ATOM 0 HG1 THR B 55 -3.872 15.157 -9.189 1.00 0.00 H new ATOM 0 HG21 THR B 55 -5.658 15.677 -10.504 1.00 0.00 H new ATOM 0 HG22 THR B 55 -7.277 15.171 -9.964 1.00 0.00 H new ATOM 0 HG23 THR B 55 -6.418 16.472 -9.105 1.00 0.00 H new ATOM 2000 N GLU B 56 -8.822 13.880 -8.049 1.00 0.00 N ATOM 2001 CA GLU B 56 -10.218 14.266 -8.224 1.00 0.00 C ATOM 2002 C GLU B 56 -10.827 14.727 -6.904 1.00 0.00 C ATOM 2003 O GLU B 56 -10.570 14.142 -5.852 1.00 0.00 O ATOM 2004 CB GLU B 56 -11.026 13.096 -8.790 1.00 0.00 C ATOM 2005 CG GLU B 56 -10.728 12.801 -10.251 1.00 0.00 C ATOM 2006 CD GLU B 56 -11.567 11.664 -10.800 1.00 0.00 C ATOM 2007 OE1 GLU B 56 -12.227 10.969 -9.998 1.00 0.00 O ATOM 2008 OE2 GLU B 56 -11.566 11.467 -12.035 1.00 0.00 O ATOM 0 H GLU B 56 -8.614 12.915 -8.307 1.00 0.00 H new ATOM 0 HA GLU B 56 -10.252 15.097 -8.928 1.00 0.00 H new ATOM 0 HB2 GLU B 56 -10.821 12.204 -8.199 1.00 0.00 H new ATOM 0 HB3 GLU B 56 -12.089 13.313 -8.681 1.00 0.00 H new ATOM 0 HG2 GLU B 56 -10.908 13.699 -10.843 1.00 0.00 H new ATOM 0 HG3 GLU B 56 -9.672 12.554 -10.360 1.00 0.00 H new ATOM 2015 N ASP B 57 -11.634 15.782 -6.967 1.00 0.00 N ATOM 2016 CA ASP B 57 -12.280 16.323 -5.778 1.00 0.00 C ATOM 2017 C ASP B 57 -13.702 16.785 -6.094 1.00 0.00 C ATOM 2018 O ASP B 57 -14.068 16.938 -7.258 1.00 0.00 O ATOM 2019 CB ASP B 57 -11.464 17.491 -5.218 1.00 0.00 C ATOM 2020 CG ASP B 57 -10.525 17.058 -4.109 1.00 0.00 C ATOM 2021 OD1 ASP B 57 -9.512 16.395 -4.415 1.00 0.00 O ATOM 2022 OD2 ASP B 57 -10.802 17.383 -2.936 1.00 0.00 O ATOM 0 H ASP B 57 -11.856 16.279 -7.830 1.00 0.00 H new ATOM 0 HA ASP B 57 -12.332 15.532 -5.030 1.00 0.00 H new ATOM 0 HB2 ASP B 57 -10.887 17.947 -6.023 1.00 0.00 H new ATOM 0 HB3 ASP B 57 -12.142 18.256 -4.839 1.00 0.00 H new ATOM 2027 N PRO B 58 -14.522 17.014 -5.054 1.00 0.00 N ATOM 2028 CA PRO B 58 -15.909 17.460 -5.226 1.00 0.00 C ATOM 2029 C PRO B 58 -15.996 18.890 -5.751 1.00 0.00 C ATOM 2030 O PRO B 58 -14.939 19.457 -6.097 1.00 0.00 O ATOM 2031 CB PRO B 58 -16.491 17.372 -3.813 1.00 0.00 C ATOM 2032 CG PRO B 58 -15.315 17.504 -2.910 1.00 0.00 C ATOM 2033 CD PRO B 58 -14.165 16.856 -3.632 1.00 0.00 C ATOM 0 HA PRO B 58 -16.443 16.855 -5.958 1.00 0.00 H new ATOM 0 HB2 PRO B 58 -17.218 18.164 -3.634 1.00 0.00 H new ATOM 0 HB3 PRO B 58 -17.007 16.425 -3.656 1.00 0.00 H new ATOM 0 HG2 PRO B 58 -15.102 18.552 -2.697 1.00 0.00 H new ATOM 0 HG3 PRO B 58 -15.500 17.016 -1.953 1.00 0.00 H new ATOM 0 HD2 PRO B 58 -13.218 17.343 -3.399 1.00 0.00 H new ATOM 0 HD3 PRO B 58 -14.059 15.806 -3.358 1.00 0.00 H new TER 2041 PRO B 58