USER MOD reduce.3.24.130724 H: found=0, std=0, add=886, rem=0, adj=37 USER MOD reduce.3.24.130724 removed 883 hydrogens (32 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD NoAdj-H: A 18 HIS HE2 : A 18 HIS NE2 : A 104 HECFE :(H bumps) USER MOD NoAdj-H: A 104 HEC HAC : A 104 HEC CAC : A 17 CYS SG :(H bumps) USER MOD NoAdj-H: A 104 HEC HAB : A 104 HEC CAB : A 14 CYS SG :(H bumps) USER MOD Set 1.1: A 49 THR OG1 : rot -99:sc= 1.26 USER MOD Set 1.2: A 104 HEC O2D : rot -100:sc= 1.01 USER MOD Set 2.1: A 62 ASN : amide:sc= 1.73 K(o=2.9,f=2) USER MOD Set 2.2: A 65 SER OG : rot -149:sc= 1.14 USER MOD Set 3.1: A 48 TYR OH : rot -148:sc= 0.472 USER MOD Set 3.2: A 104 HEC O2A : rot -73:sc= 3.08 USER MOD Set 4.1: A 19 THR OG1 : rot -137:sc= 1 USER MOD Set 4.2: A 31 ASN : amide:sc= 2.2 K(o=3.2,f=-7.4!) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 LYS NZ :NH3+ -151:sc= 1.43 (180deg=-0.64!) USER MOD Single : A 8 THR OG1 : rot -14:sc= 1.24 USER MOD Single : A -2 LYS NZ :NH3+ -109:sc= 1.25 (180deg=0.257) USER MOD Single : A -5 THR N :NH3+ -110:sc= 0.261 (180deg=-1.09!) USER MOD Single : A -5 THR OG1 : rot 50:sc= 0.169 USER MOD Single : A 11 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.00356) USER MOD Single : A 12 THR OG1 : rot -56:sc= 0.0673 USER MOD Single : A 16 GLN : amide:sc= 0.802 K(o=0.8,f=-0.23) USER MOD Single : A 22 LYS NZ :NH3+ 179:sc= 0.269 (180deg=0.203) USER MOD Single : A 26 HIS : no HD1:sc= -0.183 K(o=-0.18,f=-0.94) USER MOD Single : A 27 LYS NZ :NH3+ 172:sc= 1.99 (180deg=1.92) USER MOD Single : A 33 HIS : no HE2:sc= -0.0259 K(o=-0.026,f=-0.86) USER MOD Single : A 39 HIS : no HD1:sc=-0.00667 X(o=-0.0067,f=-0.14) USER MOD Single : A 40 SER OG : rot -72:sc= 1.61 USER MOD Single : A 42 GLN : amide:sc= 1.19 K(o=1.2,f=-5.5!) USER MOD Single : A 46 TYR OH : rot -153:sc= 0.768 USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 52 ASN : amide:sc= -1.57 K(o=-1.6,f=-3.2!) USER MOD Single : A 54 LYS NZ :NH3+ -156:sc= 0.568 (180deg=-0.738!) USER MOD Single : A 55 LYS NZ :NH3+ -161:sc= 1.13 (180deg=0.748) USER MOD Single : A 56 ASN : amide:sc= -0.131 X(o=-0.13,f=0) USER MOD Single : A 63 ASN : amide:sc= -1.96! C(o=-2!,f=-1.7!) USER MOD Single : A 64 MET CE :methyl -154:sc= -1.94 (180deg=-4.99!) USER MOD Single : A 67 TYR OH : rot -130:sc= 0.713 USER MOD Single : A 69 THR OG1 : rot 47:sc= 0.672 USER MOD Single : A 70 ASN : amide:sc= 0.205 K(o=0.21,f=-5!) USER MOD Single : A 72 LYS NZ :NH3+ 175:sc= 1.66 (180deg=1.51) USER MOD Single : A 73 LYS NZ :NH3+ -166:sc= 0.161 (180deg=-0.168) USER MOD Single : A 74 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 THR OG1 : rot 22:sc= 1.84 USER MOD Single : A 79 LYS NZ :NH3+ 158:sc= 1.13 (180deg=0.708) USER MOD Single : A 80 MET CE :methyl 176:sc= -0.547 (180deg=-0.556) USER MOD Single : A 86 LYS NZ :NH3+ 163:sc= 2.37 (180deg=1.9) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 ASN : amide:sc= -0.413 K(o=-0.41,f=-2.5!) USER MOD Single : A 96 THR OG1 : rot -2:sc= -0.129 USER MOD Single : A 97 TYR OH : rot 150:sc=-0.00145 USER MOD Single : A 99 LYS NZ :NH3+ 136:sc= 0.695 (180deg=-3.31!) USER MOD Single : A 100 LYS NZ :NH3+ -159:sc= 0.139 (180deg=-0.205) USER MOD Single : A 102 THR OG1 : rot 87:sc= 0.617 USER MOD ----------------------------------------------------------------- ATOM 1 N THR A -5 -11.092 -16.503 12.353 1.00 0.00 N ATOM 2 CA THR A -5 -11.679 -15.177 12.071 1.00 0.00 C ATOM 3 C THR A -5 -10.593 -14.121 11.953 1.00 0.00 C ATOM 4 O THR A -5 -10.121 -13.607 12.961 1.00 0.00 O ATOM 5 CB THR A -5 -12.669 -14.773 13.161 1.00 0.00 C ATOM 6 OG1 THR A -5 -12.126 -15.069 14.424 1.00 0.00 O ATOM 7 CG2 THR A -5 -13.978 -15.549 13.032 1.00 0.00 C ATOM 0 H1 THR A -5 -11.199 -17.115 11.519 1.00 0.00 H new ATOM 0 H2 THR A -5 -10.082 -16.395 12.576 1.00 0.00 H new ATOM 0 H3 THR A -5 -11.581 -16.934 13.163 1.00 0.00 H new ATOM 0 HA THR A -5 -12.211 -15.248 11.122 1.00 0.00 H new ATOM 0 HB THR A -5 -12.862 -13.706 13.053 1.00 0.00 H new ATOM 0 HG1 THR A -5 -11.216 -14.709 14.482 1.00 0.00 H new ATOM 0 HG21 THR A -5 -14.663 -15.240 13.821 1.00 0.00 H new ATOM 0 HG22 THR A -5 -14.428 -15.345 12.060 1.00 0.00 H new ATOM 0 HG23 THR A -5 -13.778 -16.617 13.122 1.00 0.00 H new ATOM 17 N GLU A -4 -10.176 -13.826 10.722 1.00 0.00 N ATOM 18 CA GLU A -4 -8.956 -13.072 10.389 1.00 0.00 C ATOM 19 C GLU A -4 -9.263 -11.858 9.495 1.00 0.00 C ATOM 20 O GLU A -4 -8.803 -10.747 9.744 1.00 0.00 O ATOM 21 CB GLU A -4 -7.970 -13.995 9.627 1.00 0.00 C ATOM 22 CG GLU A -4 -7.476 -15.264 10.350 1.00 0.00 C ATOM 23 CD GLU A -4 -8.578 -16.289 10.675 1.00 0.00 C ATOM 24 OE1 GLU A -4 -9.621 -16.362 9.979 1.00 0.00 O ATOM 25 OE2 GLU A -4 -8.541 -16.879 11.776 1.00 0.00 O ATOM 0 H GLU A -4 -10.696 -14.115 9.893 1.00 0.00 H new ATOM 0 HA GLU A -4 -8.522 -12.720 11.325 1.00 0.00 H new ATOM 0 HB2 GLU A -4 -8.448 -14.303 8.697 1.00 0.00 H new ATOM 0 HB3 GLU A -4 -7.097 -13.402 9.355 1.00 0.00 H new ATOM 0 HG2 GLU A -4 -6.720 -15.747 9.731 1.00 0.00 H new ATOM 0 HG3 GLU A -4 -6.987 -14.970 11.279 1.00 0.00 H new ATOM 32 N PHE A -3 -10.035 -12.091 8.434 1.00 0.00 N ATOM 33 CA PHE A -3 -10.285 -11.186 7.313 1.00 0.00 C ATOM 34 C PHE A -3 -11.630 -11.559 6.658 1.00 0.00 C ATOM 35 O PHE A -3 -12.226 -12.586 6.994 1.00 0.00 O ATOM 36 CB PHE A -3 -9.093 -11.341 6.345 1.00 0.00 C ATOM 37 CG PHE A -3 -9.156 -10.571 5.038 1.00 0.00 C ATOM 38 CD1 PHE A -3 -9.165 -9.163 5.035 1.00 0.00 C ATOM 39 CD2 PHE A -3 -9.126 -11.270 3.816 1.00 0.00 C ATOM 40 CE1 PHE A -3 -9.162 -8.464 3.813 1.00 0.00 C ATOM 41 CE2 PHE A -3 -9.122 -10.568 2.598 1.00 0.00 C ATOM 42 CZ PHE A -3 -9.157 -9.163 2.592 1.00 0.00 C ATOM 0 H PHE A -3 -10.535 -12.974 8.328 1.00 0.00 H new ATOM 0 HA PHE A -3 -10.362 -10.144 7.622 1.00 0.00 H new ATOM 0 HB2 PHE A -3 -8.188 -11.038 6.872 1.00 0.00 H new ATOM 0 HB3 PHE A -3 -8.985 -12.400 6.109 1.00 0.00 H new ATOM 0 HD1 PHE A -3 -9.174 -8.620 5.969 1.00 0.00 H new ATOM 0 HD2 PHE A -3 -9.106 -12.350 3.814 1.00 0.00 H new ATOM 0 HE1 PHE A -3 -9.164 -7.384 3.813 1.00 0.00 H new ATOM 0 HE2 PHE A -3 -9.092 -11.110 1.664 1.00 0.00 H new ATOM 0 HZ PHE A -3 -9.180 -8.624 1.657 1.00 0.00 H new ATOM 52 N LYS A -2 -12.114 -10.758 5.703 1.00 0.00 N ATOM 53 CA LYS A -2 -13.220 -11.118 4.802 1.00 0.00 C ATOM 54 C LYS A -2 -12.911 -10.569 3.416 1.00 0.00 C ATOM 55 O LYS A -2 -13.140 -9.392 3.165 1.00 0.00 O ATOM 56 CB LYS A -2 -14.574 -10.630 5.368 1.00 0.00 C ATOM 57 CG LYS A -2 -15.843 -11.220 4.704 1.00 0.00 C ATOM 58 CD LYS A -2 -15.929 -10.974 3.190 1.00 0.00 C ATOM 59 CE LYS A -2 -17.234 -11.403 2.517 1.00 0.00 C ATOM 60 NZ LYS A -2 -17.148 -11.151 1.054 1.00 0.00 N ATOM 0 H LYS A -2 -11.743 -9.824 5.529 1.00 0.00 H new ATOM 0 HA LYS A -2 -13.313 -12.201 4.722 1.00 0.00 H new ATOM 0 HB2 LYS A -2 -14.604 -10.862 6.433 1.00 0.00 H new ATOM 0 HB3 LYS A -2 -14.613 -9.544 5.277 1.00 0.00 H new ATOM 0 HG2 LYS A -2 -15.871 -12.294 4.889 1.00 0.00 H new ATOM 0 HG3 LYS A -2 -16.724 -10.791 5.182 1.00 0.00 H new ATOM 0 HD2 LYS A -2 -15.780 -9.910 3.005 1.00 0.00 H new ATOM 0 HD3 LYS A -2 -15.104 -11.500 2.709 1.00 0.00 H new ATOM 0 HE2 LYS A -2 -17.420 -12.461 2.704 1.00 0.00 H new ATOM 0 HE3 LYS A -2 -18.073 -10.852 2.942 1.00 0.00 H new ATOM 0 HZ1 LYS A -2 -17.768 -10.355 0.802 1.00 0.00 H new ATOM 0 HZ2 LYS A -2 -16.167 -10.919 0.799 1.00 0.00 H new ATOM 0 HZ3 LYS A -2 -17.449 -12.002 0.537 1.00 0.00 H new ATOM 74 N ALA A -1 -12.451 -11.433 2.517 1.00 0.00 N ATOM 75 CA ALA A -1 -12.183 -11.093 1.122 1.00 0.00 C ATOM 76 C ALA A -1 -13.383 -10.428 0.414 1.00 0.00 C ATOM 77 O ALA A -1 -14.499 -10.966 0.413 1.00 0.00 O ATOM 78 CB ALA A -1 -11.713 -12.354 0.389 1.00 0.00 C ATOM 0 H ALA A -1 -12.250 -12.408 2.741 1.00 0.00 H new ATOM 0 HA ALA A -1 -11.395 -10.340 1.100 1.00 0.00 H new ATOM 0 HB1 ALA A -1 -11.509 -12.114 -0.654 1.00 0.00 H new ATOM 0 HB2 ALA A -1 -10.804 -12.730 0.859 1.00 0.00 H new ATOM 0 HB3 ALA A -1 -12.491 -13.116 0.441 1.00 0.00 H new ATOM 84 N GLY A 1 -13.144 -9.261 -0.182 1.00 0.00 N ATOM 85 CA GLY A 1 -14.105 -8.563 -1.032 1.00 0.00 C ATOM 86 C GLY A 1 -14.170 -9.191 -2.425 1.00 0.00 C ATOM 87 O GLY A 1 -14.159 -10.413 -2.568 1.00 0.00 O ATOM 0 H GLY A 1 -12.258 -8.765 -0.085 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -15.092 -8.593 -0.570 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -13.824 -7.513 -1.116 1.00 0.00 H new ATOM 91 N SER A 2 -14.196 -8.375 -3.472 1.00 0.00 N ATOM 92 CA SER A 2 -13.999 -8.839 -4.851 1.00 0.00 C ATOM 93 C SER A 2 -12.929 -8.009 -5.548 1.00 0.00 C ATOM 94 O SER A 2 -12.980 -6.777 -5.543 1.00 0.00 O ATOM 95 CB SER A 2 -15.307 -8.820 -5.638 1.00 0.00 C ATOM 96 OG SER A 2 -15.113 -9.514 -6.858 1.00 0.00 O ATOM 0 H SER A 2 -14.354 -7.370 -3.395 1.00 0.00 H new ATOM 0 HA SER A 2 -13.657 -9.873 -4.811 1.00 0.00 H new ATOM 0 HB2 SER A 2 -16.103 -9.288 -5.059 1.00 0.00 H new ATOM 0 HB3 SER A 2 -15.616 -7.793 -5.832 1.00 0.00 H new ATOM 0 HG SER A 2 -15.947 -9.511 -7.373 1.00 0.00 H new ATOM 102 N ALA A 3 -11.940 -8.671 -6.160 1.00 0.00 N ATOM 103 CA ALA A 3 -10.778 -7.989 -6.726 1.00 0.00 C ATOM 104 C ALA A 3 -11.148 -6.885 -7.736 1.00 0.00 C ATOM 105 O ALA A 3 -10.454 -5.872 -7.808 1.00 0.00 O ATOM 106 CB ALA A 3 -9.832 -9.033 -7.332 1.00 0.00 C ATOM 0 H ALA A 3 -11.925 -9.684 -6.274 1.00 0.00 H new ATOM 0 HA ALA A 3 -10.268 -7.464 -5.918 1.00 0.00 H new ATOM 0 HB1 ALA A 3 -8.962 -8.532 -7.757 1.00 0.00 H new ATOM 0 HB2 ALA A 3 -9.509 -9.726 -6.555 1.00 0.00 H new ATOM 0 HB3 ALA A 3 -10.352 -9.584 -8.116 1.00 0.00 H new ATOM 112 N LYS A 4 -12.269 -6.996 -8.472 1.00 0.00 N ATOM 113 CA LYS A 4 -12.687 -5.932 -9.408 1.00 0.00 C ATOM 114 C LYS A 4 -13.347 -4.711 -8.752 1.00 0.00 C ATOM 115 O LYS A 4 -13.316 -3.624 -9.327 1.00 0.00 O ATOM 116 CB LYS A 4 -13.498 -6.525 -10.575 1.00 0.00 C ATOM 117 CG LYS A 4 -13.540 -5.570 -11.784 1.00 0.00 C ATOM 118 CD LYS A 4 -14.009 -6.281 -13.063 1.00 0.00 C ATOM 119 CE LYS A 4 -13.925 -5.366 -14.295 1.00 0.00 C ATOM 120 NZ LYS A 4 -14.942 -4.284 -14.273 1.00 0.00 N ATOM 0 H LYS A 4 -12.896 -7.800 -8.439 1.00 0.00 H new ATOM 0 HA LYS A 4 -11.770 -5.510 -9.820 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -13.059 -7.476 -10.877 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -14.514 -6.735 -10.242 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -14.209 -4.738 -11.566 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -12.549 -5.147 -11.947 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -13.399 -7.169 -13.229 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -15.037 -6.620 -12.933 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -12.930 -4.924 -14.347 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -14.056 -5.964 -15.197 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -14.842 -3.696 -15.125 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -15.894 -4.703 -14.251 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -14.803 -3.694 -13.428 1.00 0.00 H new ATOM 134 N LYS A 5 -13.868 -4.856 -7.536 1.00 0.00 N ATOM 135 CA LYS A 5 -14.332 -3.745 -6.679 1.00 0.00 C ATOM 136 C LYS A 5 -13.118 -2.954 -6.192 1.00 0.00 C ATOM 137 O LYS A 5 -13.009 -1.759 -6.479 1.00 0.00 O ATOM 138 CB LYS A 5 -15.197 -4.287 -5.521 1.00 0.00 C ATOM 139 CG LYS A 5 -16.168 -3.279 -4.870 1.00 0.00 C ATOM 140 CD LYS A 5 -15.532 -2.127 -4.071 1.00 0.00 C ATOM 141 CE LYS A 5 -16.564 -1.474 -3.127 1.00 0.00 C ATOM 142 NZ LYS A 5 -16.079 -1.345 -1.728 1.00 0.00 N ATOM 0 H LYS A 5 -13.986 -5.770 -7.099 1.00 0.00 H new ATOM 0 HA LYS A 5 -14.968 -3.065 -7.246 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -15.777 -5.132 -5.892 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -14.533 -4.672 -4.747 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -16.788 -2.847 -5.656 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -16.834 -3.828 -4.204 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -14.690 -2.504 -3.490 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -15.137 -1.378 -4.757 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -16.821 -0.486 -3.508 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -17.479 -2.066 -3.134 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -16.888 -1.381 -1.075 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -15.426 -2.126 -1.513 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -15.583 -0.438 -1.615 1.00 0.00 H new ATOM 156 N GLY A 6 -12.161 -3.638 -5.556 1.00 0.00 N ATOM 157 CA GLY A 6 -10.877 -3.059 -5.144 1.00 0.00 C ATOM 158 C GLY A 6 -10.125 -2.347 -6.274 1.00 0.00 C ATOM 159 O GLY A 6 -9.575 -1.271 -6.051 1.00 0.00 O ATOM 0 H GLY A 6 -12.257 -4.623 -5.309 1.00 0.00 H new ATOM 0 HA2 GLY A 6 -11.052 -2.350 -4.335 1.00 0.00 H new ATOM 0 HA3 GLY A 6 -10.245 -3.851 -4.743 1.00 0.00 H new ATOM 163 N ALA A 7 -10.178 -2.874 -7.503 1.00 0.00 N ATOM 164 CA ALA A 7 -9.638 -2.210 -8.691 1.00 0.00 C ATOM 165 C ALA A 7 -10.251 -0.813 -8.913 1.00 0.00 C ATOM 166 O ALA A 7 -9.525 0.176 -9.046 1.00 0.00 O ATOM 167 CB ALA A 7 -9.845 -3.114 -9.913 1.00 0.00 C ATOM 0 H ALA A 7 -10.601 -3.781 -7.700 1.00 0.00 H new ATOM 0 HA ALA A 7 -8.571 -2.048 -8.538 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -9.444 -2.624 -10.800 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -9.328 -4.061 -9.757 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -10.910 -3.301 -10.051 1.00 0.00 H new ATOM 173 N THR A 8 -11.590 -0.703 -8.940 1.00 0.00 N ATOM 174 CA THR A 8 -12.259 0.608 -9.067 1.00 0.00 C ATOM 175 C THR A 8 -11.924 1.559 -7.919 1.00 0.00 C ATOM 176 O THR A 8 -11.816 2.763 -8.143 1.00 0.00 O ATOM 177 CB THR A 8 -13.788 0.506 -9.207 1.00 0.00 C ATOM 178 OG1 THR A 8 -14.419 -0.089 -8.095 1.00 0.00 O ATOM 179 CG2 THR A 8 -14.194 -0.280 -10.453 1.00 0.00 C ATOM 0 H THR A 8 -12.228 -1.497 -8.876 1.00 0.00 H new ATOM 0 HA THR A 8 -11.860 1.019 -9.994 1.00 0.00 H new ATOM 0 HB THR A 8 -14.122 1.541 -9.283 1.00 0.00 H new ATOM 0 HG1 THR A 8 -13.746 -0.528 -7.533 1.00 0.00 H new ATOM 0 HG21 THR A 8 -15.281 -0.329 -10.514 1.00 0.00 H new ATOM 0 HG22 THR A 8 -13.802 0.217 -11.340 1.00 0.00 H new ATOM 0 HG23 THR A 8 -13.788 -1.290 -10.394 1.00 0.00 H new ATOM 187 N LEU A 9 -11.685 1.020 -6.716 1.00 0.00 N ATOM 188 CA LEU A 9 -11.313 1.800 -5.542 1.00 0.00 C ATOM 189 C LEU A 9 -9.914 2.370 -5.720 1.00 0.00 C ATOM 190 O LEU A 9 -9.745 3.581 -5.758 1.00 0.00 O ATOM 191 CB LEU A 9 -11.378 0.969 -4.261 1.00 0.00 C ATOM 192 CG LEU A 9 -12.818 0.671 -3.865 1.00 0.00 C ATOM 193 CD1 LEU A 9 -12.781 -0.426 -2.806 1.00 0.00 C ATOM 194 CD2 LEU A 9 -13.527 1.889 -3.288 1.00 0.00 C ATOM 0 H LEU A 9 -11.747 0.018 -6.535 1.00 0.00 H new ATOM 0 HA LEU A 9 -12.032 2.614 -5.445 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -10.837 0.033 -4.404 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -10.880 1.504 -3.453 1.00 0.00 H new ATOM 0 HG LEU A 9 -13.370 0.369 -4.755 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -13.798 -0.667 -2.496 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -12.307 -1.316 -3.220 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -12.212 -0.080 -1.943 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -14.550 1.622 -3.022 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -12.998 2.230 -2.398 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -13.541 2.687 -4.030 1.00 0.00 H new ATOM 206 N PHE A 10 -8.917 1.497 -5.880 1.00 0.00 N ATOM 207 CA PHE A 10 -7.514 1.847 -6.078 1.00 0.00 C ATOM 208 C PHE A 10 -7.337 2.977 -7.099 1.00 0.00 C ATOM 209 O PHE A 10 -6.557 3.905 -6.866 1.00 0.00 O ATOM 210 CB PHE A 10 -6.759 0.583 -6.504 1.00 0.00 C ATOM 211 CG PHE A 10 -5.282 0.809 -6.748 1.00 0.00 C ATOM 212 CD1 PHE A 10 -4.392 0.878 -5.662 1.00 0.00 C ATOM 213 CD2 PHE A 10 -4.793 0.933 -8.061 1.00 0.00 C ATOM 214 CE1 PHE A 10 -3.026 1.121 -5.887 1.00 0.00 C ATOM 215 CE2 PHE A 10 -3.422 1.153 -8.280 1.00 0.00 C ATOM 216 CZ PHE A 10 -2.540 1.268 -7.194 1.00 0.00 C ATOM 0 H PHE A 10 -9.074 0.489 -5.875 1.00 0.00 H new ATOM 0 HA PHE A 10 -7.105 2.226 -5.142 1.00 0.00 H new ATOM 0 HB2 PHE A 10 -6.878 -0.178 -5.733 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -7.212 0.189 -7.414 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -4.758 0.744 -4.655 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -5.470 0.859 -8.899 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -2.348 1.195 -5.050 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -3.045 1.234 -9.289 1.00 0.00 H new ATOM 0 HZ PHE A 10 -1.493 1.469 -7.364 1.00 0.00 H new ATOM 226 N LYS A 11 -8.114 2.937 -8.193 1.00 0.00 N ATOM 227 CA LYS A 11 -8.105 3.931 -9.279 1.00 0.00 C ATOM 228 C LYS A 11 -8.434 5.362 -8.814 1.00 0.00 C ATOM 229 O LYS A 11 -7.888 6.307 -9.371 1.00 0.00 O ATOM 230 CB LYS A 11 -9.040 3.452 -10.409 1.00 0.00 C ATOM 231 CG LYS A 11 -8.622 4.009 -11.780 1.00 0.00 C ATOM 232 CD LYS A 11 -9.489 3.456 -12.923 1.00 0.00 C ATOM 233 CE LYS A 11 -8.966 3.880 -14.309 1.00 0.00 C ATOM 234 NZ LYS A 11 -7.694 3.200 -14.685 1.00 0.00 N ATOM 0 H LYS A 11 -8.788 2.188 -8.351 1.00 0.00 H new ATOM 0 HA LYS A 11 -7.085 4.001 -9.658 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -9.037 2.363 -10.444 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -10.062 3.761 -10.189 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -8.694 5.096 -11.765 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -7.577 3.762 -11.967 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -9.514 2.368 -12.864 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -10.514 3.806 -12.801 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -9.725 3.660 -15.060 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -8.811 4.959 -14.318 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -7.401 3.512 -15.633 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -6.954 3.443 -13.996 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -7.839 2.170 -14.689 1.00 0.00 H new ATOM 248 N THR A 12 -9.256 5.503 -7.769 1.00 0.00 N ATOM 249 CA THR A 12 -9.651 6.759 -7.094 1.00 0.00 C ATOM 250 C THR A 12 -9.421 6.693 -5.564 1.00 0.00 C ATOM 251 O THR A 12 -10.240 7.084 -4.725 1.00 0.00 O ATOM 252 CB THR A 12 -11.066 7.177 -7.535 1.00 0.00 C ATOM 253 OG1 THR A 12 -11.356 8.472 -7.079 1.00 0.00 O ATOM 254 CG2 THR A 12 -12.200 6.252 -7.094 1.00 0.00 C ATOM 0 H THR A 12 -9.697 4.691 -7.337 1.00 0.00 H new ATOM 0 HA THR A 12 -8.994 7.568 -7.414 1.00 0.00 H new ATOM 0 HB THR A 12 -11.030 7.121 -8.623 1.00 0.00 H new ATOM 0 HG1 THR A 12 -11.251 8.507 -6.105 1.00 0.00 H new ATOM 0 HG21 THR A 12 -13.150 6.642 -7.459 1.00 0.00 H new ATOM 0 HG22 THR A 12 -12.036 5.255 -7.503 1.00 0.00 H new ATOM 0 HG23 THR A 12 -12.224 6.199 -6.006 1.00 0.00 H new ATOM 262 N ARG A 13 -8.250 6.159 -5.185 1.00 0.00 N ATOM 263 CA ARG A 13 -7.694 6.136 -3.816 1.00 0.00 C ATOM 264 C ARG A 13 -6.183 6.352 -3.837 1.00 0.00 C ATOM 265 O ARG A 13 -5.679 7.345 -3.320 1.00 0.00 O ATOM 266 CB ARG A 13 -8.004 4.795 -3.117 1.00 0.00 C ATOM 267 CG ARG A 13 -9.473 4.501 -2.809 1.00 0.00 C ATOM 268 CD ARG A 13 -10.058 5.370 -1.705 1.00 0.00 C ATOM 269 NE ARG A 13 -11.440 4.937 -1.423 1.00 0.00 N ATOM 270 CZ ARG A 13 -12.521 5.242 -2.117 1.00 0.00 C ATOM 271 NH1 ARG A 13 -12.489 6.050 -3.145 1.00 0.00 N ATOM 272 NH2 ARG A 13 -13.658 4.707 -1.779 1.00 0.00 N ATOM 0 H ARG A 13 -7.630 5.707 -5.857 1.00 0.00 H new ATOM 0 HA ARG A 13 -8.165 6.947 -3.260 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -7.620 3.989 -3.743 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -7.448 4.764 -2.180 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -10.059 4.641 -3.717 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -9.572 3.454 -2.524 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -9.449 5.292 -0.804 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -10.047 6.417 -2.007 1.00 0.00 H new ATOM 0 HE ARG A 13 -11.574 4.340 -0.607 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -11.606 6.470 -3.437 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -13.347 6.260 -3.655 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -13.704 4.063 -0.989 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -14.503 4.931 -2.304 1.00 0.00 H new ATOM 286 N CYS A 14 -5.469 5.406 -4.440 1.00 0.00 N ATOM 287 CA CYS A 14 -4.038 5.196 -4.243 1.00 0.00 C ATOM 288 C CYS A 14 -3.268 5.417 -5.543 1.00 0.00 C ATOM 289 O CYS A 14 -2.150 5.927 -5.516 1.00 0.00 O ATOM 290 CB CYS A 14 -3.809 3.759 -3.771 1.00 0.00 C ATOM 291 SG CYS A 14 -5.010 3.047 -2.597 1.00 0.00 S ATOM 0 H CYS A 14 -5.882 4.745 -5.098 1.00 0.00 H new ATOM 0 HA CYS A 14 -3.680 5.909 -3.500 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -3.781 3.118 -4.652 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -2.822 3.711 -3.311 1.00 0.00 H new ATOM 296 N LEU A 15 -3.882 5.104 -6.695 1.00 0.00 N ATOM 297 CA LEU A 15 -3.301 5.240 -8.033 1.00 0.00 C ATOM 298 C LEU A 15 -2.780 6.657 -8.343 1.00 0.00 C ATOM 299 O LEU A 15 -1.860 6.816 -9.149 1.00 0.00 O ATOM 300 CB LEU A 15 -4.337 4.758 -9.065 1.00 0.00 C ATOM 301 CG LEU A 15 -3.845 4.774 -10.522 1.00 0.00 C ATOM 302 CD1 LEU A 15 -2.710 3.799 -10.822 1.00 0.00 C ATOM 303 CD2 LEU A 15 -4.993 4.431 -11.469 1.00 0.00 C ATOM 0 H LEU A 15 -4.833 4.736 -6.717 1.00 0.00 H new ATOM 0 HA LEU A 15 -2.410 4.614 -8.084 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -4.640 3.743 -8.809 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -5.225 5.385 -8.988 1.00 0.00 H new ATOM 0 HG LEU A 15 -3.466 5.785 -10.673 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -2.429 3.880 -11.872 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -1.850 4.038 -10.197 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -3.039 2.781 -10.612 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -4.633 4.445 -12.498 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -5.376 3.438 -11.232 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -5.791 5.164 -11.354 1.00 0.00 H new ATOM 315 N GLN A 16 -3.274 7.691 -7.651 1.00 0.00 N ATOM 316 CA GLN A 16 -2.699 9.038 -7.681 1.00 0.00 C ATOM 317 C GLN A 16 -1.190 9.047 -7.356 1.00 0.00 C ATOM 318 O GLN A 16 -0.417 9.645 -8.107 1.00 0.00 O ATOM 319 CB GLN A 16 -3.519 9.999 -6.799 1.00 0.00 C ATOM 320 CG GLN A 16 -3.594 9.656 -5.299 1.00 0.00 C ATOM 321 CD GLN A 16 -4.474 10.646 -4.535 1.00 0.00 C ATOM 322 OE1 GLN A 16 -4.480 11.838 -4.790 1.00 0.00 O ATOM 323 NE2 GLN A 16 -5.271 10.204 -3.586 1.00 0.00 N ATOM 0 H GLN A 16 -4.093 7.613 -7.048 1.00 0.00 H new ATOM 0 HA GLN A 16 -2.766 9.407 -8.704 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -3.098 10.999 -6.900 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -4.535 10.040 -7.191 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -3.989 8.648 -5.176 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -2.590 9.659 -4.875 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -5.285 9.211 -3.353 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -5.875 10.854 -3.083 1.00 0.00 H new ATOM 332 N CYS A 17 -0.748 8.290 -6.344 1.00 0.00 N ATOM 333 CA CYS A 17 0.627 8.281 -5.819 1.00 0.00 C ATOM 334 C CYS A 17 1.425 7.000 -6.103 1.00 0.00 C ATOM 335 O CYS A 17 2.630 6.996 -5.871 1.00 0.00 O ATOM 336 CB CYS A 17 0.618 8.470 -4.300 1.00 0.00 C ATOM 337 SG CYS A 17 0.033 10.074 -3.690 1.00 0.00 S ATOM 0 H CYS A 17 -1.360 7.642 -5.848 1.00 0.00 H new ATOM 0 HA CYS A 17 1.117 9.101 -6.344 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -0.005 7.690 -3.863 1.00 0.00 H new ATOM 0 HB3 CYS A 17 1.631 8.313 -3.930 1.00 0.00 H new ATOM 342 N HIS A 18 0.786 5.923 -6.570 1.00 0.00 N ATOM 343 CA HIS A 18 1.362 4.575 -6.700 1.00 0.00 C ATOM 344 C HIS A 18 1.157 3.948 -8.089 1.00 0.00 C ATOM 345 O HIS A 18 0.385 4.455 -8.901 1.00 0.00 O ATOM 346 CB HIS A 18 0.708 3.680 -5.635 1.00 0.00 C ATOM 347 CG HIS A 18 1.327 3.813 -4.273 1.00 0.00 C ATOM 348 ND1 HIS A 18 2.540 3.287 -3.897 1.00 0.00 N ATOM 349 CD2 HIS A 18 0.763 4.410 -3.178 1.00 0.00 C ATOM 350 CE1 HIS A 18 2.700 3.561 -2.595 1.00 0.00 C ATOM 351 NE2 HIS A 18 1.643 4.241 -2.109 1.00 0.00 N ATOM 0 H HIS A 18 -0.185 5.965 -6.881 1.00 0.00 H new ATOM 0 HA HIS A 18 2.440 4.659 -6.561 1.00 0.00 H new ATOM 0 HB2 HIS A 18 -0.352 3.925 -5.568 1.00 0.00 H new ATOM 0 HB3 HIS A 18 0.775 2.640 -5.955 1.00 0.00 H new ATOM 0 HD1 HIS A 18 3.194 2.783 -4.496 1.00 0.00 H new ATOM 0 HD2 HIS A 18 -0.189 4.919 -3.147 1.00 0.00 H new ATOM 0 HE1 HIS A 18 3.563 3.274 -2.012 1.00 0.00 H new ATOM 359 N THR A 19 1.792 2.800 -8.333 1.00 0.00 N ATOM 360 CA THR A 19 1.542 1.902 -9.478 1.00 0.00 C ATOM 361 C THR A 19 1.435 0.430 -9.027 1.00 0.00 C ATOM 362 O THR A 19 1.776 0.109 -7.891 1.00 0.00 O ATOM 363 CB THR A 19 2.583 2.124 -10.584 1.00 0.00 C ATOM 364 OG1 THR A 19 3.895 2.035 -10.085 1.00 0.00 O ATOM 365 CG2 THR A 19 2.455 3.499 -11.241 1.00 0.00 C ATOM 0 H THR A 19 2.526 2.450 -7.717 1.00 0.00 H new ATOM 0 HA THR A 19 0.573 2.152 -9.910 1.00 0.00 H new ATOM 0 HB THR A 19 2.389 1.340 -11.316 1.00 0.00 H new ATOM 0 HG1 THR A 19 4.442 2.749 -10.474 1.00 0.00 H new ATOM 0 HG21 THR A 19 3.214 3.604 -12.016 1.00 0.00 H new ATOM 0 HG22 THR A 19 1.465 3.598 -11.687 1.00 0.00 H new ATOM 0 HG23 THR A 19 2.594 4.276 -10.489 1.00 0.00 H new ATOM 373 N VAL A 20 0.848 -0.444 -9.860 1.00 0.00 N ATOM 374 CA VAL A 20 0.303 -1.778 -9.465 1.00 0.00 C ATOM 375 C VAL A 20 0.484 -2.883 -10.514 1.00 0.00 C ATOM 376 O VAL A 20 0.179 -4.051 -10.287 1.00 0.00 O ATOM 377 CB VAL A 20 -1.190 -1.622 -9.128 1.00 0.00 C ATOM 378 CG1 VAL A 20 -2.035 -1.250 -10.357 1.00 0.00 C ATOM 379 CG2 VAL A 20 -1.828 -2.807 -8.408 1.00 0.00 C ATOM 0 H VAL A 20 0.730 -0.250 -10.854 1.00 0.00 H new ATOM 0 HA VAL A 20 0.882 -2.103 -8.600 1.00 0.00 H new ATOM 0 HB VAL A 20 -1.194 -0.796 -8.417 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -3.080 -1.152 -10.064 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -1.683 -0.303 -10.767 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -1.942 -2.030 -11.112 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -2.880 -2.594 -8.218 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -1.745 -3.698 -9.030 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -1.315 -2.976 -7.461 1.00 0.00 H new ATOM 389 N GLU A 21 1.020 -2.495 -11.662 1.00 0.00 N ATOM 390 CA GLU A 21 1.487 -3.356 -12.749 1.00 0.00 C ATOM 391 C GLU A 21 3.004 -3.183 -12.862 1.00 0.00 C ATOM 392 O GLU A 21 3.529 -2.100 -12.585 1.00 0.00 O ATOM 393 CB GLU A 21 0.874 -2.965 -14.108 1.00 0.00 C ATOM 394 CG GLU A 21 -0.532 -2.329 -14.089 1.00 0.00 C ATOM 395 CD GLU A 21 -0.932 -1.718 -15.443 1.00 0.00 C ATOM 396 OE1 GLU A 21 -0.317 -2.086 -16.469 1.00 0.00 O ATOM 397 OE2 GLU A 21 -1.849 -0.867 -15.425 1.00 0.00 O ATOM 0 H GLU A 21 1.151 -1.507 -11.877 1.00 0.00 H new ATOM 0 HA GLU A 21 1.193 -4.381 -12.521 1.00 0.00 H new ATOM 0 HB2 GLU A 21 1.554 -2.268 -14.598 1.00 0.00 H new ATOM 0 HB3 GLU A 21 0.832 -3.859 -14.730 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -1.264 -3.086 -13.808 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -0.564 -1.554 -13.323 1.00 0.00 H new ATOM 404 N LYS A 22 3.745 -4.192 -13.327 1.00 0.00 N ATOM 405 CA LYS A 22 5.204 -4.115 -13.363 1.00 0.00 C ATOM 406 C LYS A 22 5.809 -3.251 -14.471 1.00 0.00 C ATOM 407 O LYS A 22 7.016 -3.050 -14.480 1.00 0.00 O ATOM 408 CB LYS A 22 5.774 -5.530 -13.364 1.00 0.00 C ATOM 409 CG LYS A 22 6.919 -5.518 -12.359 1.00 0.00 C ATOM 410 CD LYS A 22 7.525 -6.902 -12.238 1.00 0.00 C ATOM 411 CE LYS A 22 8.578 -6.908 -11.115 1.00 0.00 C ATOM 412 NZ LYS A 22 9.577 -5.802 -11.220 1.00 0.00 N ATOM 0 H LYS A 22 3.359 -5.067 -13.682 1.00 0.00 H new ATOM 0 HA LYS A 22 5.499 -3.580 -12.461 1.00 0.00 H new ATOM 0 HB2 LYS A 22 5.013 -6.258 -13.081 1.00 0.00 H new ATOM 0 HB3 LYS A 22 6.128 -5.808 -14.357 1.00 0.00 H new ATOM 0 HG2 LYS A 22 7.681 -4.806 -12.674 1.00 0.00 H new ATOM 0 HG3 LYS A 22 6.555 -5.186 -11.387 1.00 0.00 H new ATOM 0 HD2 LYS A 22 6.746 -7.634 -12.024 1.00 0.00 H new ATOM 0 HD3 LYS A 22 7.984 -7.193 -13.183 1.00 0.00 H new ATOM 0 HE2 LYS A 22 8.070 -6.837 -10.153 1.00 0.00 H new ATOM 0 HE3 LYS A 22 9.104 -7.863 -11.128 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 10.243 -5.859 -10.423 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 10.100 -5.890 -12.115 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 9.085 -4.886 -11.195 1.00 0.00 H new ATOM 426 N GLY A 23 4.992 -2.709 -15.375 1.00 0.00 N ATOM 427 CA GLY A 23 5.392 -1.588 -16.234 1.00 0.00 C ATOM 428 C GLY A 23 5.303 -0.229 -15.525 1.00 0.00 C ATOM 429 O GLY A 23 5.742 0.777 -16.068 1.00 0.00 O ATOM 0 H GLY A 23 4.037 -3.031 -15.534 1.00 0.00 H new ATOM 0 HA2 GLY A 23 6.414 -1.747 -16.577 1.00 0.00 H new ATOM 0 HA3 GLY A 23 4.758 -1.572 -17.120 1.00 0.00 H new ATOM 433 N GLY A 24 4.731 -0.190 -14.318 1.00 0.00 N ATOM 434 CA GLY A 24 4.486 1.003 -13.521 1.00 0.00 C ATOM 435 C GLY A 24 5.768 1.697 -13.047 1.00 0.00 C ATOM 436 O GLY A 24 6.430 1.167 -12.146 1.00 0.00 O ATOM 0 H GLY A 24 4.411 -1.038 -13.851 1.00 0.00 H new ATOM 0 HA2 GLY A 24 3.897 1.708 -14.108 1.00 0.00 H new ATOM 0 HA3 GLY A 24 3.886 0.733 -12.652 1.00 0.00 H new ATOM 440 N PRO A 25 6.100 2.902 -13.551 1.00 0.00 N ATOM 441 CA PRO A 25 7.156 3.702 -12.945 1.00 0.00 C ATOM 442 C PRO A 25 6.760 4.106 -11.519 1.00 0.00 C ATOM 443 O PRO A 25 5.590 4.044 -11.122 1.00 0.00 O ATOM 444 CB PRO A 25 7.331 4.913 -13.867 1.00 0.00 C ATOM 445 CG PRO A 25 5.937 5.099 -14.459 1.00 0.00 C ATOM 446 CD PRO A 25 5.424 3.665 -14.594 1.00 0.00 C ATOM 0 HA PRO A 25 8.095 3.157 -12.850 1.00 0.00 H new ATOM 0 HB2 PRO A 25 7.657 5.796 -13.316 1.00 0.00 H new ATOM 0 HB3 PRO A 25 8.076 4.727 -14.640 1.00 0.00 H new ATOM 0 HG2 PRO A 25 5.299 5.696 -13.808 1.00 0.00 H new ATOM 0 HG3 PRO A 25 5.973 5.607 -15.423 1.00 0.00 H new ATOM 0 HD2 PRO A 25 4.342 3.623 -14.470 1.00 0.00 H new ATOM 0 HD3 PRO A 25 5.647 3.261 -15.581 1.00 0.00 H new ATOM 454 N HIS A 26 7.751 4.533 -10.743 1.00 0.00 N ATOM 455 CA HIS A 26 7.524 5.174 -9.455 1.00 0.00 C ATOM 456 C HIS A 26 6.966 6.597 -9.644 1.00 0.00 C ATOM 457 O HIS A 26 6.968 7.165 -10.738 1.00 0.00 O ATOM 458 CB HIS A 26 8.828 5.144 -8.642 1.00 0.00 C ATOM 459 CG HIS A 26 9.387 3.754 -8.421 1.00 0.00 C ATOM 460 ND1 HIS A 26 8.679 2.571 -8.421 1.00 0.00 N ATOM 461 CD2 HIS A 26 10.700 3.436 -8.198 1.00 0.00 C ATOM 462 CE1 HIS A 26 9.542 1.571 -8.170 1.00 0.00 C ATOM 463 NE2 HIS A 26 10.776 2.057 -8.001 1.00 0.00 N ATOM 0 H HIS A 26 8.736 4.443 -10.991 1.00 0.00 H new ATOM 0 HA HIS A 26 6.768 4.627 -8.892 1.00 0.00 H new ATOM 0 HB2 HIS A 26 9.577 5.748 -9.154 1.00 0.00 H new ATOM 0 HB3 HIS A 26 8.650 5.611 -7.673 1.00 0.00 H new ATOM 0 HD2 HIS A 26 11.528 4.129 -8.178 1.00 0.00 H new ATOM 0 HE1 HIS A 26 9.277 0.526 -8.113 1.00 0.00 H new ATOM 0 HE2 HIS A 26 11.613 1.522 -7.772 1.00 0.00 H new ATOM 471 N LYS A 27 6.445 7.157 -8.558 1.00 0.00 N ATOM 472 CA LYS A 27 5.669 8.392 -8.453 1.00 0.00 C ATOM 473 C LYS A 27 6.083 9.141 -7.171 1.00 0.00 C ATOM 474 O LYS A 27 7.171 8.925 -6.630 1.00 0.00 O ATOM 475 CB LYS A 27 4.182 7.960 -8.472 1.00 0.00 C ATOM 476 CG LYS A 27 3.551 7.928 -9.868 1.00 0.00 C ATOM 477 CD LYS A 27 2.040 7.698 -9.710 1.00 0.00 C ATOM 478 CE LYS A 27 1.263 8.077 -10.970 1.00 0.00 C ATOM 479 NZ LYS A 27 -0.149 8.374 -10.625 1.00 0.00 N ATOM 0 H LYS A 27 6.565 6.720 -7.644 1.00 0.00 H new ATOM 0 HA LYS A 27 5.845 9.090 -9.271 1.00 0.00 H new ATOM 0 HB2 LYS A 27 4.098 6.969 -8.026 1.00 0.00 H new ATOM 0 HB3 LYS A 27 3.610 8.642 -7.843 1.00 0.00 H new ATOM 0 HG2 LYS A 27 3.740 8.865 -10.391 1.00 0.00 H new ATOM 0 HG3 LYS A 27 3.995 7.133 -10.467 1.00 0.00 H new ATOM 0 HD2 LYS A 27 1.857 6.650 -9.474 1.00 0.00 H new ATOM 0 HD3 LYS A 27 1.671 8.284 -8.868 1.00 0.00 H new ATOM 0 HE2 LYS A 27 1.721 8.946 -11.442 1.00 0.00 H new ATOM 0 HE3 LYS A 27 1.306 7.262 -11.693 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -0.636 8.760 -11.459 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -0.623 7.500 -10.321 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -0.179 9.071 -9.853 1.00 0.00 H new ATOM 493 N VAL A 28 5.178 9.978 -6.648 1.00 0.00 N ATOM 494 CA VAL A 28 5.121 10.399 -5.233 1.00 0.00 C ATOM 495 C VAL A 28 5.481 9.246 -4.288 1.00 0.00 C ATOM 496 O VAL A 28 6.244 9.457 -3.353 1.00 0.00 O ATOM 497 CB VAL A 28 3.718 10.933 -4.871 1.00 0.00 C ATOM 498 CG1 VAL A 28 3.669 11.486 -3.442 1.00 0.00 C ATOM 499 CG2 VAL A 28 3.258 12.055 -5.810 1.00 0.00 C ATOM 0 H VAL A 28 4.439 10.397 -7.212 1.00 0.00 H new ATOM 0 HA VAL A 28 5.854 11.196 -5.109 1.00 0.00 H new ATOM 0 HB VAL A 28 3.054 10.074 -4.969 1.00 0.00 H new ATOM 0 HG11 VAL A 28 2.665 11.851 -3.228 1.00 0.00 H new ATOM 0 HG12 VAL A 28 3.926 10.695 -2.737 1.00 0.00 H new ATOM 0 HG13 VAL A 28 4.382 12.305 -3.344 1.00 0.00 H new ATOM 0 HG21 VAL A 28 2.266 12.395 -5.512 1.00 0.00 H new ATOM 0 HG22 VAL A 28 3.959 12.888 -5.753 1.00 0.00 H new ATOM 0 HG23 VAL A 28 3.221 11.681 -6.833 1.00 0.00 H new ATOM 509 N GLY A 29 4.979 8.036 -4.577 1.00 0.00 N ATOM 510 CA GLY A 29 5.352 6.772 -3.948 1.00 0.00 C ATOM 511 C GLY A 29 5.726 5.670 -4.960 1.00 0.00 C ATOM 512 O GLY A 29 5.755 5.896 -6.173 1.00 0.00 O ATOM 0 H GLY A 29 4.265 7.913 -5.294 1.00 0.00 H new ATOM 0 HA2 GLY A 29 6.196 6.943 -3.280 1.00 0.00 H new ATOM 0 HA3 GLY A 29 4.523 6.423 -3.332 1.00 0.00 H new ATOM 516 N PRO A 30 6.058 4.465 -4.472 1.00 0.00 N ATOM 517 CA PRO A 30 6.603 3.371 -5.285 1.00 0.00 C ATOM 518 C PRO A 30 5.583 2.642 -6.193 1.00 0.00 C ATOM 519 O PRO A 30 4.406 3.002 -6.295 1.00 0.00 O ATOM 520 CB PRO A 30 7.249 2.441 -4.250 1.00 0.00 C ATOM 521 CG PRO A 30 6.419 2.644 -2.988 1.00 0.00 C ATOM 522 CD PRO A 30 6.130 4.138 -3.054 1.00 0.00 C ATOM 0 HA PRO A 30 7.305 3.754 -6.025 1.00 0.00 H new ATOM 0 HB2 PRO A 30 7.224 1.402 -4.579 1.00 0.00 H new ATOM 0 HB3 PRO A 30 8.295 2.698 -4.083 1.00 0.00 H new ATOM 0 HG2 PRO A 30 5.506 2.049 -2.997 1.00 0.00 H new ATOM 0 HG3 PRO A 30 6.969 2.372 -2.087 1.00 0.00 H new ATOM 0 HD2 PRO A 30 5.194 4.378 -2.549 1.00 0.00 H new ATOM 0 HD3 PRO A 30 6.915 4.711 -2.560 1.00 0.00 H new ATOM 530 N ASN A 31 6.058 1.590 -6.870 1.00 0.00 N ATOM 531 CA ASN A 31 5.198 0.510 -7.371 1.00 0.00 C ATOM 532 C ASN A 31 4.784 -0.397 -6.180 1.00 0.00 C ATOM 533 O ASN A 31 5.427 -0.364 -5.130 1.00 0.00 O ATOM 534 CB ASN A 31 5.979 -0.227 -8.485 1.00 0.00 C ATOM 535 CG ASN A 31 5.111 -1.058 -9.423 1.00 0.00 C ATOM 536 OD1 ASN A 31 4.203 -1.766 -9.018 1.00 0.00 O ATOM 537 ND2 ASN A 31 5.357 -1.005 -10.708 1.00 0.00 N ATOM 0 H ASN A 31 7.047 1.463 -7.086 1.00 0.00 H new ATOM 0 HA ASN A 31 4.269 0.876 -7.808 1.00 0.00 H new ATOM 0 HB2 ASN A 31 6.527 0.508 -9.074 1.00 0.00 H new ATOM 0 HB3 ASN A 31 6.719 -0.880 -8.021 1.00 0.00 H new ATOM 0 HD21 ASN A 31 4.793 -1.552 -11.358 1.00 0.00 H new ATOM 0 HD22 ASN A 31 6.113 -0.417 -11.059 1.00 0.00 H new ATOM 544 N LEU A 32 3.728 -1.199 -6.325 1.00 0.00 N ATOM 545 CA LEU A 32 3.221 -2.141 -5.325 1.00 0.00 C ATOM 546 C LEU A 32 3.167 -3.595 -5.838 1.00 0.00 C ATOM 547 O LEU A 32 3.057 -4.517 -5.035 1.00 0.00 O ATOM 548 CB LEU A 32 1.838 -1.660 -4.842 1.00 0.00 C ATOM 549 CG LEU A 32 1.818 -0.288 -4.133 1.00 0.00 C ATOM 550 CD1 LEU A 32 0.383 0.092 -3.759 1.00 0.00 C ATOM 551 CD2 LEU A 32 2.648 -0.277 -2.846 1.00 0.00 C ATOM 0 H LEU A 32 3.177 -1.210 -7.183 1.00 0.00 H new ATOM 0 HA LEU A 32 3.919 -2.156 -4.488 1.00 0.00 H new ATOM 0 HB2 LEU A 32 1.169 -1.615 -5.701 1.00 0.00 H new ATOM 0 HB3 LEU A 32 1.431 -2.407 -4.160 1.00 0.00 H new ATOM 0 HG LEU A 32 2.248 0.424 -4.837 1.00 0.00 H new ATOM 0 HD11 LEU A 32 0.382 1.061 -3.260 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -0.226 0.148 -4.662 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -0.030 -0.662 -3.089 1.00 0.00 H new ATOM 0 HD21 LEU A 32 2.598 0.712 -2.390 1.00 0.00 H new ATOM 0 HD22 LEU A 32 2.252 -1.018 -2.151 1.00 0.00 H new ATOM 0 HD23 LEU A 32 3.685 -0.517 -3.080 1.00 0.00 H new ATOM 563 N HIS A 33 3.290 -3.836 -7.147 1.00 0.00 N ATOM 564 CA HIS A 33 3.371 -5.168 -7.768 1.00 0.00 C ATOM 565 C HIS A 33 4.603 -5.956 -7.277 1.00 0.00 C ATOM 566 O HIS A 33 5.700 -5.815 -7.822 1.00 0.00 O ATOM 567 CB HIS A 33 3.409 -4.969 -9.287 1.00 0.00 C ATOM 568 CG HIS A 33 3.401 -6.253 -10.064 1.00 0.00 C ATOM 569 ND1 HIS A 33 2.293 -6.951 -10.480 1.00 0.00 N ATOM 570 CD2 HIS A 33 4.504 -6.963 -10.443 1.00 0.00 C ATOM 571 CE1 HIS A 33 2.733 -8.047 -11.124 1.00 0.00 C ATOM 572 NE2 HIS A 33 4.074 -8.076 -11.162 1.00 0.00 N ATOM 0 H HIS A 33 3.338 -3.082 -7.832 1.00 0.00 H new ATOM 0 HA HIS A 33 2.502 -5.761 -7.484 1.00 0.00 H new ATOM 0 HB2 HIS A 33 2.551 -4.368 -9.587 1.00 0.00 H new ATOM 0 HB3 HIS A 33 4.303 -4.402 -9.548 1.00 0.00 H new ATOM 0 HD1 HIS A 33 1.319 -6.687 -10.329 1.00 0.00 H new ATOM 0 HD2 HIS A 33 5.530 -6.707 -10.224 1.00 0.00 H new ATOM 0 HE1 HIS A 33 2.092 -8.803 -11.553 1.00 0.00 H new ATOM 580 N GLY A 34 4.424 -6.772 -6.235 1.00 0.00 N ATOM 581 CA GLY A 34 5.471 -7.597 -5.614 1.00 0.00 C ATOM 582 C GLY A 34 5.800 -7.271 -4.152 1.00 0.00 C ATOM 583 O GLY A 34 6.657 -7.937 -3.577 1.00 0.00 O ATOM 0 H GLY A 34 3.516 -6.882 -5.783 1.00 0.00 H new ATOM 0 HA2 GLY A 34 5.167 -8.642 -5.674 1.00 0.00 H new ATOM 0 HA3 GLY A 34 6.383 -7.497 -6.203 1.00 0.00 H new ATOM 587 N ILE A 35 5.156 -6.273 -3.530 1.00 0.00 N ATOM 588 CA ILE A 35 5.488 -5.879 -2.142 1.00 0.00 C ATOM 589 C ILE A 35 5.066 -6.905 -1.082 1.00 0.00 C ATOM 590 O ILE A 35 5.673 -6.951 -0.019 1.00 0.00 O ATOM 591 CB ILE A 35 4.954 -4.474 -1.779 1.00 0.00 C ATOM 592 CG1 ILE A 35 3.415 -4.354 -1.841 1.00 0.00 C ATOM 593 CG2 ILE A 35 5.633 -3.427 -2.675 1.00 0.00 C ATOM 594 CD1 ILE A 35 2.725 -4.631 -0.503 1.00 0.00 C ATOM 0 H ILE A 35 4.409 -5.725 -3.956 1.00 0.00 H new ATOM 0 HA ILE A 35 6.577 -5.845 -2.127 1.00 0.00 H new ATOM 0 HB ILE A 35 5.208 -4.292 -0.735 1.00 0.00 H new ATOM 0 HG12 ILE A 35 3.150 -3.351 -2.176 1.00 0.00 H new ATOM 0 HG13 ILE A 35 3.034 -5.051 -2.588 1.00 0.00 H new ATOM 0 HG21 ILE A 35 5.259 -2.435 -2.422 1.00 0.00 H new ATOM 0 HG22 ILE A 35 6.711 -3.459 -2.519 1.00 0.00 H new ATOM 0 HG23 ILE A 35 5.411 -3.643 -3.720 1.00 0.00 H new ATOM 0 HD11 ILE A 35 1.646 -4.529 -0.622 1.00 0.00 H new ATOM 0 HD12 ILE A 35 2.959 -5.644 -0.176 1.00 0.00 H new ATOM 0 HD13 ILE A 35 3.077 -3.918 0.242 1.00 0.00 H new ATOM 606 N PHE A 36 4.033 -7.716 -1.338 1.00 0.00 N ATOM 607 CA PHE A 36 3.491 -8.678 -0.375 1.00 0.00 C ATOM 608 C PHE A 36 4.509 -9.777 -0.043 1.00 0.00 C ATOM 609 O PHE A 36 4.895 -10.565 -0.901 1.00 0.00 O ATOM 610 CB PHE A 36 2.156 -9.248 -0.864 1.00 0.00 C ATOM 611 CG PHE A 36 1.009 -8.265 -0.720 1.00 0.00 C ATOM 612 CD1 PHE A 36 0.373 -8.121 0.529 1.00 0.00 C ATOM 613 CD2 PHE A 36 0.600 -7.466 -1.804 1.00 0.00 C ATOM 614 CE1 PHE A 36 -0.665 -7.188 0.693 1.00 0.00 C ATOM 615 CE2 PHE A 36 -0.442 -6.536 -1.642 1.00 0.00 C ATOM 616 CZ PHE A 36 -1.078 -6.401 -0.395 1.00 0.00 C ATOM 0 H PHE A 36 3.544 -7.722 -2.233 1.00 0.00 H new ATOM 0 HA PHE A 36 3.293 -8.149 0.557 1.00 0.00 H new ATOM 0 HB2 PHE A 36 2.251 -9.537 -1.911 1.00 0.00 H new ATOM 0 HB3 PHE A 36 1.925 -10.153 -0.303 1.00 0.00 H new ATOM 0 HD1 PHE A 36 0.685 -8.731 1.364 1.00 0.00 H new ATOM 0 HD2 PHE A 36 1.088 -7.567 -2.762 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -1.145 -7.076 1.654 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -0.754 -5.925 -2.476 1.00 0.00 H new ATOM 0 HZ PHE A 36 -1.884 -5.692 -0.274 1.00 0.00 H new ATOM 626 N GLY A 37 4.975 -9.782 1.206 1.00 0.00 N ATOM 627 CA GLY A 37 6.087 -10.598 1.706 1.00 0.00 C ATOM 628 C GLY A 37 7.460 -9.917 1.627 1.00 0.00 C ATOM 629 O GLY A 37 8.438 -10.444 2.157 1.00 0.00 O ATOM 0 H GLY A 37 4.570 -9.191 1.932 1.00 0.00 H new ATOM 0 HA2 GLY A 37 5.887 -10.866 2.744 1.00 0.00 H new ATOM 0 HA3 GLY A 37 6.123 -11.528 1.138 1.00 0.00 H new ATOM 633 N ARG A 38 7.566 -8.732 1.015 1.00 0.00 N ATOM 634 CA ARG A 38 8.717 -7.831 1.172 1.00 0.00 C ATOM 635 C ARG A 38 8.592 -7.028 2.472 1.00 0.00 C ATOM 636 O ARG A 38 7.594 -7.116 3.178 1.00 0.00 O ATOM 637 CB ARG A 38 8.846 -6.936 -0.083 1.00 0.00 C ATOM 638 CG ARG A 38 10.295 -6.617 -0.469 1.00 0.00 C ATOM 639 CD ARG A 38 10.995 -7.835 -1.072 1.00 0.00 C ATOM 640 NE ARG A 38 12.459 -7.695 -0.991 1.00 0.00 N ATOM 641 CZ ARG A 38 13.380 -8.547 -1.383 1.00 0.00 C ATOM 642 NH1 ARG A 38 13.072 -9.673 -1.961 1.00 0.00 N ATOM 643 NH2 ARG A 38 14.633 -8.271 -1.172 1.00 0.00 N ATOM 0 H ARG A 38 6.848 -8.366 0.390 1.00 0.00 H new ATOM 0 HA ARG A 38 9.638 -8.408 1.255 1.00 0.00 H new ATOM 0 HB2 ARG A 38 8.357 -7.430 -0.922 1.00 0.00 H new ATOM 0 HB3 ARG A 38 8.312 -6.002 0.092 1.00 0.00 H new ATOM 0 HG2 ARG A 38 10.309 -5.796 -1.186 1.00 0.00 H new ATOM 0 HG3 ARG A 38 10.842 -6.281 0.412 1.00 0.00 H new ATOM 0 HD2 ARG A 38 10.682 -8.737 -0.545 1.00 0.00 H new ATOM 0 HD3 ARG A 38 10.694 -7.954 -2.113 1.00 0.00 H new ATOM 0 HE ARG A 38 12.801 -6.827 -0.579 1.00 0.00 H new ATOM 0 HH11 ARG A 38 12.094 -9.914 -2.120 1.00 0.00 H new ATOM 0 HH12 ARG A 38 13.809 -10.314 -2.254 1.00 0.00 H new ATOM 0 HH21 ARG A 38 14.892 -7.401 -0.707 1.00 0.00 H new ATOM 0 HH22 ARG A 38 15.357 -8.924 -1.472 1.00 0.00 H new ATOM 657 N HIS A 39 9.636 -6.277 2.799 1.00 0.00 N ATOM 658 CA HIS A 39 9.760 -5.480 4.019 1.00 0.00 C ATOM 659 C HIS A 39 9.740 -3.991 3.667 1.00 0.00 C ATOM 660 O HIS A 39 10.444 -3.601 2.733 1.00 0.00 O ATOM 661 CB HIS A 39 11.058 -5.852 4.743 1.00 0.00 C ATOM 662 CG HIS A 39 11.076 -7.270 5.256 1.00 0.00 C ATOM 663 ND1 HIS A 39 11.501 -8.389 4.572 1.00 0.00 N ATOM 664 CD2 HIS A 39 10.644 -7.674 6.488 1.00 0.00 C ATOM 665 CE1 HIS A 39 11.310 -9.451 5.375 1.00 0.00 C ATOM 666 NE2 HIS A 39 10.799 -9.062 6.547 1.00 0.00 N ATOM 0 H HIS A 39 10.456 -6.202 2.197 1.00 0.00 H new ATOM 0 HA HIS A 39 8.920 -5.688 4.682 1.00 0.00 H new ATOM 0 HB2 HIS A 39 11.898 -5.710 4.063 1.00 0.00 H new ATOM 0 HB3 HIS A 39 11.206 -5.169 5.580 1.00 0.00 H new ATOM 0 HD2 HIS A 39 10.255 -7.039 7.270 1.00 0.00 H new ATOM 0 HE1 HIS A 39 11.537 -10.473 5.110 1.00 0.00 H new ATOM 0 HE2 HIS A 39 10.566 -9.665 7.336 1.00 0.00 H new ATOM 674 N SER A 40 8.981 -3.170 4.403 1.00 0.00 N ATOM 675 CA SER A 40 8.770 -1.736 4.119 1.00 0.00 C ATOM 676 C SER A 40 10.070 -1.005 3.778 1.00 0.00 C ATOM 677 O SER A 40 11.008 -0.992 4.579 1.00 0.00 O ATOM 678 CB SER A 40 8.089 -0.989 5.274 1.00 0.00 C ATOM 679 OG SER A 40 7.130 -1.767 5.961 1.00 0.00 O ATOM 0 H SER A 40 8.482 -3.487 5.234 1.00 0.00 H new ATOM 0 HA SER A 40 8.110 -1.728 3.251 1.00 0.00 H new ATOM 0 HB2 SER A 40 8.850 -0.658 5.981 1.00 0.00 H new ATOM 0 HB3 SER A 40 7.606 -0.094 4.882 1.00 0.00 H new ATOM 0 HG SER A 40 6.337 -1.882 5.397 1.00 0.00 H new ATOM 685 N GLY A 41 10.124 -0.428 2.577 1.00 0.00 N ATOM 686 CA GLY A 41 11.314 0.249 2.037 1.00 0.00 C ATOM 687 C GLY A 41 12.019 -0.398 0.833 1.00 0.00 C ATOM 688 O GLY A 41 13.141 0.000 0.532 1.00 0.00 O ATOM 0 H GLY A 41 9.330 -0.415 1.937 1.00 0.00 H new ATOM 0 HA2 GLY A 41 11.024 1.261 1.752 1.00 0.00 H new ATOM 0 HA3 GLY A 41 12.042 0.341 2.843 1.00 0.00 H new ATOM 692 N GLN A 42 11.420 -1.393 0.163 1.00 0.00 N ATOM 693 CA GLN A 42 12.093 -2.239 -0.849 1.00 0.00 C ATOM 694 C GLN A 42 11.433 -2.255 -2.244 1.00 0.00 C ATOM 695 O GLN A 42 11.420 -3.278 -2.932 1.00 0.00 O ATOM 696 CB GLN A 42 12.338 -3.647 -0.274 1.00 0.00 C ATOM 697 CG GLN A 42 13.417 -3.617 0.817 1.00 0.00 C ATOM 698 CD GLN A 42 13.899 -5.005 1.222 1.00 0.00 C ATOM 699 OE1 GLN A 42 14.114 -5.911 0.418 1.00 0.00 O ATOM 700 NE2 GLN A 42 14.099 -5.234 2.499 1.00 0.00 N ATOM 0 H GLN A 42 10.441 -1.641 0.306 1.00 0.00 H new ATOM 0 HA GLN A 42 13.055 -1.769 -1.052 1.00 0.00 H new ATOM 0 HB2 GLN A 42 11.410 -4.041 0.139 1.00 0.00 H new ATOM 0 HB3 GLN A 42 12.643 -4.322 -1.074 1.00 0.00 H new ATOM 0 HG2 GLN A 42 14.267 -3.033 0.463 1.00 0.00 H new ATOM 0 HG3 GLN A 42 13.023 -3.106 1.695 1.00 0.00 H new ATOM 0 HE21 GLN A 42 13.927 -4.497 3.182 1.00 0.00 H new ATOM 0 HE22 GLN A 42 14.427 -6.149 2.808 1.00 0.00 H new ATOM 709 N ALA A 43 10.960 -1.090 -2.690 1.00 0.00 N ATOM 710 CA ALA A 43 10.780 -0.788 -4.111 1.00 0.00 C ATOM 711 C ALA A 43 12.107 -0.768 -4.904 1.00 0.00 C ATOM 712 O ALA A 43 13.204 -0.828 -4.347 1.00 0.00 O ATOM 713 CB ALA A 43 10.042 0.546 -4.233 1.00 0.00 C ATOM 0 H ALA A 43 10.689 -0.325 -2.072 1.00 0.00 H new ATOM 0 HA ALA A 43 10.191 -1.589 -4.557 1.00 0.00 H new ATOM 0 HB1 ALA A 43 9.899 0.788 -5.286 1.00 0.00 H new ATOM 0 HB2 ALA A 43 9.071 0.471 -3.743 1.00 0.00 H new ATOM 0 HB3 ALA A 43 10.629 1.331 -3.757 1.00 0.00 H new ATOM 719 N GLU A 44 12.004 -0.673 -6.228 1.00 0.00 N ATOM 720 CA GLU A 44 13.060 -1.013 -7.189 1.00 0.00 C ATOM 721 C GLU A 44 14.109 0.110 -7.357 1.00 0.00 C ATOM 722 O GLU A 44 14.185 0.770 -8.388 1.00 0.00 O ATOM 723 CB GLU A 44 12.396 -1.497 -8.504 1.00 0.00 C ATOM 724 CG GLU A 44 11.553 -2.764 -8.230 1.00 0.00 C ATOM 725 CD GLU A 44 10.942 -3.437 -9.472 1.00 0.00 C ATOM 726 OE1 GLU A 44 9.905 -2.981 -10.006 1.00 0.00 O ATOM 727 OE2 GLU A 44 11.431 -4.527 -9.850 1.00 0.00 O ATOM 0 H GLU A 44 11.151 -0.345 -6.682 1.00 0.00 H new ATOM 0 HA GLU A 44 13.659 -1.838 -6.803 1.00 0.00 H new ATOM 0 HB2 GLU A 44 11.763 -0.710 -8.914 1.00 0.00 H new ATOM 0 HB3 GLU A 44 13.161 -1.712 -9.250 1.00 0.00 H new ATOM 0 HG2 GLU A 44 12.180 -3.492 -7.716 1.00 0.00 H new ATOM 0 HG3 GLU A 44 10.745 -2.501 -7.547 1.00 0.00 H new ATOM 734 N GLY A 45 14.930 0.329 -6.320 1.00 0.00 N ATOM 735 CA GLY A 45 16.025 1.314 -6.320 1.00 0.00 C ATOM 736 C GLY A 45 15.649 2.705 -5.788 1.00 0.00 C ATOM 737 O GLY A 45 16.330 3.684 -6.078 1.00 0.00 O ATOM 0 H GLY A 45 14.851 -0.182 -5.441 1.00 0.00 H new ATOM 0 HA2 GLY A 45 16.846 0.922 -5.719 1.00 0.00 H new ATOM 0 HA3 GLY A 45 16.398 1.420 -7.339 1.00 0.00 H new ATOM 741 N TYR A 46 14.564 2.815 -5.018 1.00 0.00 N ATOM 742 CA TYR A 46 13.921 4.081 -4.645 1.00 0.00 C ATOM 743 C TYR A 46 14.065 4.418 -3.147 1.00 0.00 C ATOM 744 O TYR A 46 13.895 3.561 -2.283 1.00 0.00 O ATOM 745 CB TYR A 46 12.485 3.994 -5.172 1.00 0.00 C ATOM 746 CG TYR A 46 11.599 5.197 -4.936 1.00 0.00 C ATOM 747 CD1 TYR A 46 11.045 5.383 -3.662 1.00 0.00 C ATOM 748 CD2 TYR A 46 11.255 6.071 -5.988 1.00 0.00 C ATOM 749 CE1 TYR A 46 10.075 6.381 -3.453 1.00 0.00 C ATOM 750 CE2 TYR A 46 10.285 7.073 -5.787 1.00 0.00 C ATOM 751 CZ TYR A 46 9.673 7.209 -4.523 1.00 0.00 C ATOM 752 OH TYR A 46 8.703 8.132 -4.320 1.00 0.00 O ATOM 0 H TYR A 46 14.093 2.001 -4.624 1.00 0.00 H new ATOM 0 HA TYR A 46 14.417 4.937 -5.101 1.00 0.00 H new ATOM 0 HB2 TYR A 46 12.527 3.808 -6.245 1.00 0.00 H new ATOM 0 HB3 TYR A 46 12.008 3.126 -4.717 1.00 0.00 H new ATOM 0 HD1 TYR A 46 11.363 4.759 -2.839 1.00 0.00 H new ATOM 0 HD2 TYR A 46 11.736 5.972 -6.950 1.00 0.00 H new ATOM 0 HE1 TYR A 46 9.638 6.513 -2.474 1.00 0.00 H new ATOM 0 HE2 TYR A 46 10.011 7.734 -6.596 1.00 0.00 H new ATOM 0 HH TYR A 46 8.241 8.312 -5.165 1.00 0.00 H new ATOM 762 N SER A 47 14.361 5.687 -2.826 1.00 0.00 N ATOM 763 CA SER A 47 14.669 6.174 -1.466 1.00 0.00 C ATOM 764 C SER A 47 13.450 6.695 -0.689 1.00 0.00 C ATOM 765 O SER A 47 12.964 7.805 -0.930 1.00 0.00 O ATOM 766 CB SER A 47 15.743 7.263 -1.523 1.00 0.00 C ATOM 767 OG SER A 47 16.957 6.685 -1.954 1.00 0.00 O ATOM 0 H SER A 47 14.394 6.428 -3.526 1.00 0.00 H new ATOM 0 HA SER A 47 15.032 5.303 -0.920 1.00 0.00 H new ATOM 0 HB2 SER A 47 15.440 8.056 -2.206 1.00 0.00 H new ATOM 0 HB3 SER A 47 15.870 7.719 -0.541 1.00 0.00 H new ATOM 0 HG SER A 47 17.651 7.375 -1.995 1.00 0.00 H new ATOM 773 N TYR A 48 12.984 5.905 0.280 1.00 0.00 N ATOM 774 CA TYR A 48 11.856 6.172 1.183 1.00 0.00 C ATOM 775 C TYR A 48 12.150 7.295 2.216 1.00 0.00 C ATOM 776 O TYR A 48 12.425 8.435 1.834 1.00 0.00 O ATOM 777 CB TYR A 48 11.473 4.833 1.849 1.00 0.00 C ATOM 778 CG TYR A 48 10.792 3.826 0.951 1.00 0.00 C ATOM 779 CD1 TYR A 48 11.488 3.167 -0.083 1.00 0.00 C ATOM 780 CD2 TYR A 48 9.459 3.478 1.226 1.00 0.00 C ATOM 781 CE1 TYR A 48 10.848 2.168 -0.837 1.00 0.00 C ATOM 782 CE2 TYR A 48 8.824 2.468 0.490 1.00 0.00 C ATOM 783 CZ TYR A 48 9.525 1.801 -0.531 1.00 0.00 C ATOM 784 OH TYR A 48 8.963 0.731 -1.134 1.00 0.00 O ATOM 0 H TYR A 48 13.412 4.999 0.470 1.00 0.00 H new ATOM 0 HA TYR A 48 11.014 6.560 0.610 1.00 0.00 H new ATOM 0 HB2 TYR A 48 12.377 4.378 2.254 1.00 0.00 H new ATOM 0 HB3 TYR A 48 10.816 5.043 2.693 1.00 0.00 H new ATOM 0 HD1 TYR A 48 12.514 3.430 -0.296 1.00 0.00 H new ATOM 0 HD2 TYR A 48 8.920 3.991 2.009 1.00 0.00 H new ATOM 0 HE1 TYR A 48 11.370 1.684 -1.649 1.00 0.00 H new ATOM 0 HE2 TYR A 48 7.800 2.203 0.706 1.00 0.00 H new ATOM 0 HH TYR A 48 8.001 0.883 -1.240 1.00 0.00 H new ATOM 794 N THR A 49 12.091 6.987 3.515 1.00 0.00 N ATOM 795 CA THR A 49 12.321 7.854 4.681 1.00 0.00 C ATOM 796 C THR A 49 13.015 7.066 5.791 1.00 0.00 C ATOM 797 O THR A 49 12.915 5.839 5.834 1.00 0.00 O ATOM 798 CB THR A 49 10.995 8.392 5.252 1.00 0.00 C ATOM 799 OG1 THR A 49 10.078 7.346 5.491 1.00 0.00 O ATOM 800 CG2 THR A 49 10.348 9.414 4.326 1.00 0.00 C ATOM 0 H THR A 49 11.860 6.037 3.807 1.00 0.00 H new ATOM 0 HA THR A 49 12.940 8.686 4.346 1.00 0.00 H new ATOM 0 HB THR A 49 11.244 8.880 6.194 1.00 0.00 H new ATOM 0 HG1 THR A 49 9.441 7.293 4.748 1.00 0.00 H new ATOM 0 HG21 THR A 49 9.416 9.767 4.768 1.00 0.00 H new ATOM 0 HG22 THR A 49 11.025 10.257 4.185 1.00 0.00 H new ATOM 0 HG23 THR A 49 10.140 8.951 3.362 1.00 0.00 H new ATOM 808 N ASP A 50 13.669 7.761 6.723 1.00 0.00 N ATOM 809 CA ASP A 50 14.316 7.144 7.888 1.00 0.00 C ATOM 810 C ASP A 50 13.341 6.264 8.699 1.00 0.00 C ATOM 811 O ASP A 50 13.585 5.074 8.904 1.00 0.00 O ATOM 812 CB ASP A 50 14.918 8.275 8.731 1.00 0.00 C ATOM 813 CG ASP A 50 15.613 7.743 9.977 1.00 0.00 C ATOM 814 OD1 ASP A 50 16.774 7.291 9.883 1.00 0.00 O ATOM 815 OD2 ASP A 50 15.011 7.766 11.071 1.00 0.00 O ATOM 0 H ASP A 50 13.767 8.776 6.693 1.00 0.00 H new ATOM 0 HA ASP A 50 15.103 6.464 7.562 1.00 0.00 H new ATOM 0 HB2 ASP A 50 15.632 8.837 8.129 1.00 0.00 H new ATOM 0 HB3 ASP A 50 14.130 8.970 9.023 1.00 0.00 H new ATOM 820 N ALA A 51 12.200 6.837 9.089 1.00 0.00 N ATOM 821 CA ALA A 51 11.168 6.191 9.895 1.00 0.00 C ATOM 822 C ALA A 51 10.613 4.891 9.272 1.00 0.00 C ATOM 823 O ALA A 51 10.216 3.988 10.007 1.00 0.00 O ATOM 824 CB ALA A 51 10.060 7.223 10.140 1.00 0.00 C ATOM 0 H ALA A 51 11.963 7.798 8.842 1.00 0.00 H new ATOM 0 HA ALA A 51 11.612 5.867 10.837 1.00 0.00 H new ATOM 0 HB1 ALA A 51 9.270 6.773 10.741 1.00 0.00 H new ATOM 0 HB2 ALA A 51 10.473 8.082 10.669 1.00 0.00 H new ATOM 0 HB3 ALA A 51 9.648 7.549 9.185 1.00 0.00 H new ATOM 830 N ASN A 52 10.569 4.794 7.936 1.00 0.00 N ATOM 831 CA ASN A 52 10.117 3.616 7.191 1.00 0.00 C ATOM 832 C ASN A 52 11.171 2.493 7.121 1.00 0.00 C ATOM 833 O ASN A 52 10.857 1.316 7.306 1.00 0.00 O ATOM 834 CB ASN A 52 9.724 4.085 5.787 1.00 0.00 C ATOM 835 CG ASN A 52 9.308 2.913 4.931 1.00 0.00 C ATOM 836 OD1 ASN A 52 8.192 2.427 5.002 1.00 0.00 O ATOM 837 ND2 ASN A 52 10.203 2.410 4.112 1.00 0.00 N ATOM 0 H ASN A 52 10.857 5.560 7.327 1.00 0.00 H new ATOM 0 HA ASN A 52 9.268 3.176 7.714 1.00 0.00 H new ATOM 0 HB2 ASN A 52 8.906 4.802 5.853 1.00 0.00 H new ATOM 0 HB3 ASN A 52 10.564 4.602 5.322 1.00 0.00 H new ATOM 0 HD21 ASN A 52 9.967 1.607 3.529 1.00 0.00 H new ATOM 0 HD22 ASN A 52 11.134 2.823 4.059 1.00 0.00 H new ATOM 844 N ILE A 53 12.431 2.861 6.877 1.00 0.00 N ATOM 845 CA ILE A 53 13.578 1.940 6.906 1.00 0.00 C ATOM 846 C ILE A 53 13.702 1.328 8.305 1.00 0.00 C ATOM 847 O ILE A 53 13.712 0.111 8.444 1.00 0.00 O ATOM 848 CB ILE A 53 14.859 2.684 6.492 1.00 0.00 C ATOM 849 CG1 ILE A 53 14.766 3.168 5.023 1.00 0.00 C ATOM 850 CG2 ILE A 53 16.111 1.802 6.670 1.00 0.00 C ATOM 851 CD1 ILE A 53 15.782 4.261 4.666 1.00 0.00 C ATOM 0 H ILE A 53 12.691 3.821 6.650 1.00 0.00 H new ATOM 0 HA ILE A 53 13.425 1.129 6.193 1.00 0.00 H new ATOM 0 HB ILE A 53 14.953 3.549 7.148 1.00 0.00 H new ATOM 0 HG12 ILE A 53 14.915 2.316 4.359 1.00 0.00 H new ATOM 0 HG13 ILE A 53 13.760 3.545 4.837 1.00 0.00 H new ATOM 0 HG21 ILE A 53 16.996 2.361 6.367 1.00 0.00 H new ATOM 0 HG22 ILE A 53 16.205 1.511 7.716 1.00 0.00 H new ATOM 0 HG23 ILE A 53 16.018 0.909 6.052 1.00 0.00 H new ATOM 0 HD11 ILE A 53 15.656 4.548 3.622 1.00 0.00 H new ATOM 0 HD12 ILE A 53 15.621 5.130 5.304 1.00 0.00 H new ATOM 0 HD13 ILE A 53 16.793 3.882 4.818 1.00 0.00 H new ATOM 863 N LYS A 54 13.665 2.152 9.361 1.00 0.00 N ATOM 864 CA LYS A 54 13.584 1.724 10.769 1.00 0.00 C ATOM 865 C LYS A 54 12.282 0.989 11.141 1.00 0.00 C ATOM 866 O LYS A 54 12.095 0.628 12.302 1.00 0.00 O ATOM 867 CB LYS A 54 13.814 2.945 11.673 1.00 0.00 C ATOM 868 CG LYS A 54 15.234 3.498 11.488 1.00 0.00 C ATOM 869 CD LYS A 54 15.485 4.689 12.414 1.00 0.00 C ATOM 870 CE LYS A 54 16.906 5.217 12.187 1.00 0.00 C ATOM 871 NZ LYS A 54 17.009 6.644 12.555 1.00 0.00 N ATOM 0 H LYS A 54 13.691 3.166 9.258 1.00 0.00 H new ATOM 0 HA LYS A 54 14.367 0.981 10.922 1.00 0.00 H new ATOM 0 HB2 LYS A 54 13.084 3.719 11.439 1.00 0.00 H new ATOM 0 HB3 LYS A 54 13.660 2.666 12.715 1.00 0.00 H new ATOM 0 HG2 LYS A 54 15.963 2.714 11.693 1.00 0.00 H new ATOM 0 HG3 LYS A 54 15.377 3.803 10.451 1.00 0.00 H new ATOM 0 HD2 LYS A 54 14.757 5.476 12.218 1.00 0.00 H new ATOM 0 HD3 LYS A 54 15.358 4.389 13.454 1.00 0.00 H new ATOM 0 HE2 LYS A 54 17.612 4.634 12.778 1.00 0.00 H new ATOM 0 HE3 LYS A 54 17.183 5.087 11.141 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 17.801 7.079 12.040 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 16.125 7.132 12.306 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 17.173 6.728 13.579 1.00 0.00 H new ATOM 885 N LYS A 55 11.377 0.784 10.174 1.00 0.00 N ATOM 886 CA LYS A 55 10.153 -0.022 10.322 1.00 0.00 C ATOM 887 C LYS A 55 10.304 -1.455 9.816 1.00 0.00 C ATOM 888 O LYS A 55 9.971 -2.370 10.561 1.00 0.00 O ATOM 889 CB LYS A 55 8.944 0.684 9.674 1.00 0.00 C ATOM 890 CG LYS A 55 7.698 0.536 10.554 1.00 0.00 C ATOM 891 CD LYS A 55 7.767 1.508 11.742 1.00 0.00 C ATOM 892 CE LYS A 55 6.784 1.096 12.837 1.00 0.00 C ATOM 893 NZ LYS A 55 6.691 2.147 13.873 1.00 0.00 N ATOM 0 H LYS A 55 11.477 1.184 9.241 1.00 0.00 H new ATOM 0 HA LYS A 55 9.969 -0.106 11.393 1.00 0.00 H new ATOM 0 HB2 LYS A 55 9.169 1.740 9.527 1.00 0.00 H new ATOM 0 HB3 LYS A 55 8.753 0.259 8.689 1.00 0.00 H new ATOM 0 HG2 LYS A 55 6.803 0.734 9.965 1.00 0.00 H new ATOM 0 HG3 LYS A 55 7.621 -0.489 10.917 1.00 0.00 H new ATOM 0 HD2 LYS A 55 8.780 1.527 12.144 1.00 0.00 H new ATOM 0 HD3 LYS A 55 7.540 2.519 11.404 1.00 0.00 H new ATOM 0 HE2 LYS A 55 5.800 0.918 12.402 1.00 0.00 H new ATOM 0 HE3 LYS A 55 7.107 0.159 13.290 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 6.292 1.742 14.744 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 7.640 2.525 14.070 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 6.076 2.914 13.535 1.00 0.00 H new ATOM 907 N ASN A 56 10.738 -1.616 8.560 1.00 0.00 N ATOM 908 CA ASN A 56 10.822 -2.889 7.829 1.00 0.00 C ATOM 909 C ASN A 56 9.671 -3.867 8.167 1.00 0.00 C ATOM 910 O ASN A 56 9.898 -5.031 8.488 1.00 0.00 O ATOM 911 CB ASN A 56 12.229 -3.505 8.022 1.00 0.00 C ATOM 912 CG ASN A 56 13.373 -2.847 7.264 1.00 0.00 C ATOM 913 OD1 ASN A 56 14.534 -3.032 7.578 1.00 0.00 O ATOM 914 ND2 ASN A 56 13.138 -2.157 6.171 1.00 0.00 N ATOM 0 H ASN A 56 11.055 -0.826 7.998 1.00 0.00 H new ATOM 0 HA ASN A 56 10.685 -2.682 6.768 1.00 0.00 H new ATOM 0 HB2 ASN A 56 12.468 -3.482 9.085 1.00 0.00 H new ATOM 0 HB3 ASN A 56 12.185 -4.554 7.728 1.00 0.00 H new ATOM 0 HD21 ASN A 56 13.916 -1.797 5.618 1.00 0.00 H new ATOM 0 HD22 ASN A 56 12.178 -1.981 5.875 1.00 0.00 H new ATOM 921 N VAL A 57 8.419 -3.407 8.071 1.00 0.00 N ATOM 922 CA VAL A 57 7.237 -4.268 8.224 1.00 0.00 C ATOM 923 C VAL A 57 7.167 -5.260 7.071 1.00 0.00 C ATOM 924 O VAL A 57 7.167 -4.856 5.908 1.00 0.00 O ATOM 925 CB VAL A 57 5.946 -3.429 8.405 1.00 0.00 C ATOM 926 CG1 VAL A 57 4.798 -3.709 7.429 1.00 0.00 C ATOM 927 CG2 VAL A 57 5.431 -3.624 9.833 1.00 0.00 C ATOM 0 H VAL A 57 8.195 -2.429 7.885 1.00 0.00 H new ATOM 0 HA VAL A 57 7.329 -4.852 9.139 1.00 0.00 H new ATOM 0 HB VAL A 57 6.250 -2.405 8.189 1.00 0.00 H new ATOM 0 HG11 VAL A 57 3.955 -3.058 7.662 1.00 0.00 H new ATOM 0 HG12 VAL A 57 5.133 -3.519 6.409 1.00 0.00 H new ATOM 0 HG13 VAL A 57 4.488 -4.750 7.521 1.00 0.00 H new ATOM 0 HG21 VAL A 57 4.522 -3.039 9.975 1.00 0.00 H new ATOM 0 HG22 VAL A 57 5.214 -4.679 10.000 1.00 0.00 H new ATOM 0 HG23 VAL A 57 6.190 -3.293 10.542 1.00 0.00 H new ATOM 937 N LEU A 58 7.144 -6.553 7.391 1.00 0.00 N ATOM 938 CA LEU A 58 6.812 -7.591 6.418 1.00 0.00 C ATOM 939 C LEU A 58 5.368 -7.374 5.963 1.00 0.00 C ATOM 940 O LEU A 58 4.442 -7.506 6.758 1.00 0.00 O ATOM 941 CB LEU A 58 7.059 -8.995 6.999 1.00 0.00 C ATOM 942 CG LEU A 58 6.917 -10.110 5.936 1.00 0.00 C ATOM 943 CD1 LEU A 58 7.801 -11.301 6.307 1.00 0.00 C ATOM 944 CD2 LEU A 58 5.484 -10.643 5.805 1.00 0.00 C ATOM 0 H LEU A 58 7.353 -6.908 8.324 1.00 0.00 H new ATOM 0 HA LEU A 58 7.462 -7.521 5.546 1.00 0.00 H new ATOM 0 HB2 LEU A 58 8.059 -9.035 7.431 1.00 0.00 H new ATOM 0 HB3 LEU A 58 6.354 -9.178 7.810 1.00 0.00 H new ATOM 0 HG LEU A 58 7.213 -9.656 4.990 1.00 0.00 H new ATOM 0 HD11 LEU A 58 7.695 -12.081 5.553 1.00 0.00 H new ATOM 0 HD12 LEU A 58 8.842 -10.981 6.354 1.00 0.00 H new ATOM 0 HD13 LEU A 58 7.497 -11.691 7.278 1.00 0.00 H new ATOM 0 HD21 LEU A 58 5.454 -11.422 5.043 1.00 0.00 H new ATOM 0 HD22 LEU A 58 5.161 -11.057 6.760 1.00 0.00 H new ATOM 0 HD23 LEU A 58 4.818 -9.829 5.518 1.00 0.00 H new ATOM 956 N TRP A 59 5.180 -6.984 4.707 1.00 0.00 N ATOM 957 CA TRP A 59 3.867 -6.726 4.119 1.00 0.00 C ATOM 958 C TRP A 59 3.008 -7.990 3.974 1.00 0.00 C ATOM 959 O TRP A 59 2.931 -8.618 2.920 1.00 0.00 O ATOM 960 CB TRP A 59 4.030 -5.981 2.795 1.00 0.00 C ATOM 961 CG TRP A 59 4.606 -4.612 2.944 1.00 0.00 C ATOM 962 CD1 TRP A 59 5.740 -4.153 2.365 1.00 0.00 C ATOM 963 CD2 TRP A 59 4.076 -3.500 3.723 1.00 0.00 C ATOM 964 NE1 TRP A 59 5.939 -2.838 2.728 1.00 0.00 N ATOM 965 CE2 TRP A 59 4.960 -2.392 3.583 1.00 0.00 C ATOM 966 CE3 TRP A 59 2.935 -3.319 4.534 1.00 0.00 C ATOM 967 CZ2 TRP A 59 4.743 -1.161 4.210 1.00 0.00 C ATOM 968 CZ3 TRP A 59 2.704 -2.092 5.181 1.00 0.00 C ATOM 969 CH2 TRP A 59 3.597 -1.012 5.017 1.00 0.00 C ATOM 0 H TRP A 59 5.950 -6.835 4.055 1.00 0.00 H new ATOM 0 HA TRP A 59 3.315 -6.091 4.812 1.00 0.00 H new ATOM 0 HB2 TRP A 59 4.672 -6.566 2.136 1.00 0.00 H new ATOM 0 HB3 TRP A 59 3.057 -5.905 2.309 1.00 0.00 H new ATOM 0 HD1 TRP A 59 6.388 -4.727 1.719 1.00 0.00 H new ATOM 0 HE1 TRP A 59 6.718 -2.266 2.402 1.00 0.00 H new ATOM 0 HE3 TRP A 59 2.233 -4.130 4.659 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 5.437 -0.344 4.079 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 1.834 -1.975 5.810 1.00 0.00 H new ATOM 0 HH2 TRP A 59 3.402 -0.071 5.510 1.00 0.00 H new ATOM 980 N ASP A 60 2.354 -8.332 5.076 1.00 0.00 N ATOM 981 CA ASP A 60 1.197 -9.216 5.191 1.00 0.00 C ATOM 982 C ASP A 60 -0.119 -8.448 4.931 1.00 0.00 C ATOM 983 O ASP A 60 -0.168 -7.214 4.988 1.00 0.00 O ATOM 984 CB ASP A 60 1.242 -9.838 6.595 1.00 0.00 C ATOM 985 CG ASP A 60 -0.109 -10.386 7.018 1.00 0.00 C ATOM 986 OD1 ASP A 60 -0.502 -11.430 6.460 1.00 0.00 O ATOM 987 OD2 ASP A 60 -0.806 -9.663 7.770 1.00 0.00 O ATOM 0 H ASP A 60 2.640 -7.971 5.986 1.00 0.00 H new ATOM 0 HA ASP A 60 1.231 -10.003 4.438 1.00 0.00 H new ATOM 0 HB2 ASP A 60 1.980 -10.640 6.613 1.00 0.00 H new ATOM 0 HB3 ASP A 60 1.570 -9.087 7.314 1.00 0.00 H new ATOM 992 N GLU A 61 -1.200 -9.183 4.652 1.00 0.00 N ATOM 993 CA GLU A 61 -2.504 -8.621 4.289 1.00 0.00 C ATOM 994 C GLU A 61 -3.182 -7.826 5.419 1.00 0.00 C ATOM 995 O GLU A 61 -3.711 -6.742 5.165 1.00 0.00 O ATOM 996 CB GLU A 61 -3.408 -9.696 3.656 1.00 0.00 C ATOM 997 CG GLU A 61 -3.785 -10.922 4.501 1.00 0.00 C ATOM 998 CD GLU A 61 -4.583 -11.921 3.640 1.00 0.00 C ATOM 999 OE1 GLU A 61 -5.827 -11.785 3.584 1.00 0.00 O ATOM 1000 OE2 GLU A 61 -3.951 -12.776 2.973 1.00 0.00 O ATOM 0 H GLU A 61 -1.193 -10.203 4.673 1.00 0.00 H new ATOM 0 HA GLU A 61 -2.320 -7.866 3.525 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -4.333 -9.211 3.344 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -2.915 -10.054 2.752 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -2.885 -11.399 4.889 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -4.378 -10.614 5.362 1.00 0.00 H new ATOM 1007 N ASN A 62 -3.120 -8.290 6.670 1.00 0.00 N ATOM 1008 CA ASN A 62 -3.623 -7.555 7.841 1.00 0.00 C ATOM 1009 C ASN A 62 -2.586 -6.609 8.469 1.00 0.00 C ATOM 1010 O ASN A 62 -2.943 -5.570 9.026 1.00 0.00 O ATOM 1011 CB ASN A 62 -4.179 -8.538 8.886 1.00 0.00 C ATOM 1012 CG ASN A 62 -5.694 -8.652 8.843 1.00 0.00 C ATOM 1013 OD1 ASN A 62 -6.418 -7.684 8.633 1.00 0.00 O ATOM 1014 ND2 ASN A 62 -6.194 -9.836 9.087 1.00 0.00 N ATOM 0 H ASN A 62 -2.715 -9.196 6.904 1.00 0.00 H new ATOM 0 HA ASN A 62 -4.427 -6.912 7.483 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -3.741 -9.522 8.721 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -3.872 -8.215 9.881 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -7.205 -9.969 9.105 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -5.573 -10.626 9.259 1.00 0.00 H new ATOM 1021 N ASN A 63 -1.292 -6.887 8.329 1.00 0.00 N ATOM 1022 CA ASN A 63 -0.250 -5.912 8.663 1.00 0.00 C ATOM 1023 C ASN A 63 -0.388 -4.636 7.799 1.00 0.00 C ATOM 1024 O ASN A 63 -0.208 -3.518 8.292 1.00 0.00 O ATOM 1025 CB ASN A 63 1.117 -6.595 8.522 1.00 0.00 C ATOM 1026 CG ASN A 63 2.261 -5.833 9.165 1.00 0.00 C ATOM 1027 OD1 ASN A 63 3.208 -6.395 9.677 1.00 0.00 O ATOM 1028 ND2 ASN A 63 2.262 -4.523 9.169 1.00 0.00 N ATOM 0 H ASN A 63 -0.937 -7.780 7.986 1.00 0.00 H new ATOM 0 HA ASN A 63 -0.356 -5.577 9.695 1.00 0.00 H new ATOM 0 HB2 ASN A 63 1.062 -7.589 8.966 1.00 0.00 H new ATOM 0 HB3 ASN A 63 1.335 -6.731 7.463 1.00 0.00 H new ATOM 0 HD21 ASN A 63 3.039 -4.015 9.592 1.00 0.00 H new ATOM 0 HD22 ASN A 63 1.486 -4.011 8.749 1.00 0.00 H new ATOM 1035 N MET A 64 -0.762 -4.784 6.527 1.00 0.00 N ATOM 1036 CA MET A 64 -1.193 -3.665 5.688 1.00 0.00 C ATOM 1037 C MET A 64 -2.528 -3.053 6.152 1.00 0.00 C ATOM 1038 O MET A 64 -2.689 -1.841 6.050 1.00 0.00 O ATOM 1039 CB MET A 64 -1.269 -4.118 4.223 1.00 0.00 C ATOM 1040 CG MET A 64 -1.818 -3.008 3.316 1.00 0.00 C ATOM 1041 SD MET A 64 -1.901 -3.379 1.554 1.00 0.00 S ATOM 1042 CE MET A 64 -0.149 -3.685 1.244 1.00 0.00 C ATOM 0 H MET A 64 -0.775 -5.685 6.049 1.00 0.00 H new ATOM 0 HA MET A 64 -0.450 -2.873 5.783 1.00 0.00 H new ATOM 0 HB2 MET A 64 -0.277 -4.411 3.880 1.00 0.00 H new ATOM 0 HB3 MET A 64 -1.906 -4.999 4.147 1.00 0.00 H new ATOM 0 HG2 MET A 64 -2.821 -2.752 3.659 1.00 0.00 H new ATOM 0 HG3 MET A 64 -1.199 -2.121 3.449 1.00 0.00 H new ATOM 0 HE1 MET A 64 0.077 -3.478 0.198 1.00 0.00 H new ATOM 0 HE2 MET A 64 0.452 -3.036 1.881 1.00 0.00 H new ATOM 0 HE3 MET A 64 0.083 -4.727 1.466 1.00 0.00 H new ATOM 1052 N SER A 65 -3.502 -3.828 6.645 1.00 0.00 N ATOM 1053 CA SER A 65 -4.806 -3.274 7.065 1.00 0.00 C ATOM 1054 C SER A 65 -4.698 -2.309 8.264 1.00 0.00 C ATOM 1055 O SER A 65 -5.382 -1.279 8.287 1.00 0.00 O ATOM 1056 CB SER A 65 -5.850 -4.388 7.290 1.00 0.00 C ATOM 1057 OG SER A 65 -5.762 -4.979 8.570 1.00 0.00 O ATOM 0 H SER A 65 -3.418 -4.837 6.765 1.00 0.00 H new ATOM 0 HA SER A 65 -5.164 -2.663 6.237 1.00 0.00 H new ATOM 0 HB2 SER A 65 -6.849 -3.974 7.155 1.00 0.00 H new ATOM 0 HB3 SER A 65 -5.719 -5.159 6.531 1.00 0.00 H new ATOM 0 HG SER A 65 -6.038 -5.918 8.517 1.00 0.00 H new ATOM 1063 N GLU A 66 -3.775 -2.570 9.199 1.00 0.00 N ATOM 1064 CA GLU A 66 -3.395 -1.678 10.309 1.00 0.00 C ATOM 1065 C GLU A 66 -2.703 -0.408 9.779 1.00 0.00 C ATOM 1066 O GLU A 66 -3.176 0.707 10.005 1.00 0.00 O ATOM 1067 CB GLU A 66 -2.525 -2.457 11.319 1.00 0.00 C ATOM 1068 CG GLU A 66 -2.731 -2.040 12.786 1.00 0.00 C ATOM 1069 CD GLU A 66 -1.747 -0.979 13.289 1.00 0.00 C ATOM 1070 OE1 GLU A 66 -1.820 0.199 12.879 1.00 0.00 O ATOM 1071 OE2 GLU A 66 -0.925 -1.266 14.187 1.00 0.00 O ATOM 0 H GLU A 66 -3.249 -3.444 9.205 1.00 0.00 H new ATOM 0 HA GLU A 66 -4.289 -1.340 10.834 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -2.741 -3.521 11.222 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -1.476 -2.320 11.058 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -3.746 -1.661 12.904 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -2.646 -2.925 13.417 1.00 0.00 H new ATOM 1078 N TYR A 67 -1.672 -0.569 8.940 1.00 0.00 N ATOM 1079 CA TYR A 67 -1.025 0.525 8.206 1.00 0.00 C ATOM 1080 C TYR A 67 -2.024 1.388 7.413 1.00 0.00 C ATOM 1081 O TYR A 67 -1.936 2.609 7.444 1.00 0.00 O ATOM 1082 CB TYR A 67 0.069 -0.057 7.298 1.00 0.00 C ATOM 1083 CG TYR A 67 0.833 0.960 6.472 1.00 0.00 C ATOM 1084 CD1 TYR A 67 1.732 1.835 7.109 1.00 0.00 C ATOM 1085 CD2 TYR A 67 0.679 1.012 5.072 1.00 0.00 C ATOM 1086 CE1 TYR A 67 2.472 2.769 6.358 1.00 0.00 C ATOM 1087 CE2 TYR A 67 1.434 1.929 4.312 1.00 0.00 C ATOM 1088 CZ TYR A 67 2.336 2.805 4.952 1.00 0.00 C ATOM 1089 OH TYR A 67 3.073 3.672 4.206 1.00 0.00 O ATOM 0 H TYR A 67 -1.257 -1.481 8.749 1.00 0.00 H new ATOM 0 HA TYR A 67 -0.573 1.201 8.932 1.00 0.00 H new ATOM 0 HB2 TYR A 67 0.779 -0.605 7.917 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -0.389 -0.780 6.622 1.00 0.00 H new ATOM 0 HD1 TYR A 67 1.856 1.790 8.181 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -0.018 0.349 4.581 1.00 0.00 H new ATOM 0 HE1 TYR A 67 3.141 3.455 6.855 1.00 0.00 H new ATOM 0 HE2 TYR A 67 1.322 1.961 3.238 1.00 0.00 H new ATOM 0 HH TYR A 67 2.483 4.163 3.597 1.00 0.00 H new ATOM 1099 N LEU A 68 -3.023 0.800 6.752 1.00 0.00 N ATOM 1100 CA LEU A 68 -4.110 1.514 6.075 1.00 0.00 C ATOM 1101 C LEU A 68 -5.232 1.993 7.013 1.00 0.00 C ATOM 1102 O LEU A 68 -6.110 2.726 6.558 1.00 0.00 O ATOM 1103 CB LEU A 68 -4.684 0.650 4.942 1.00 0.00 C ATOM 1104 CG LEU A 68 -3.711 0.312 3.801 1.00 0.00 C ATOM 1105 CD1 LEU A 68 -4.453 -0.561 2.789 1.00 0.00 C ATOM 1106 CD2 LEU A 68 -3.177 1.553 3.084 1.00 0.00 C ATOM 0 H LEU A 68 -3.101 -0.214 6.670 1.00 0.00 H new ATOM 0 HA LEU A 68 -3.666 2.421 5.665 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -5.049 -0.283 5.371 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -5.546 1.165 4.519 1.00 0.00 H new ATOM 0 HG LEU A 68 -2.853 -0.201 4.234 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -3.783 -0.815 1.968 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -4.792 -1.475 3.277 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -5.313 -0.016 2.400 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -2.496 1.249 2.289 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -4.009 2.111 2.655 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -2.645 2.184 3.796 1.00 0.00 H new ATOM 1118 N THR A 69 -5.215 1.649 8.303 1.00 0.00 N ATOM 1119 CA THR A 69 -6.002 2.326 9.347 1.00 0.00 C ATOM 1120 C THR A 69 -5.439 3.715 9.602 1.00 0.00 C ATOM 1121 O THR A 69 -6.172 4.704 9.502 1.00 0.00 O ATOM 1122 CB THR A 69 -6.059 1.549 10.664 1.00 0.00 C ATOM 1123 OG1 THR A 69 -6.437 0.219 10.446 1.00 0.00 O ATOM 1124 CG2 THR A 69 -7.067 2.147 11.646 1.00 0.00 C ATOM 0 H THR A 69 -4.647 0.881 8.661 1.00 0.00 H new ATOM 0 HA THR A 69 -7.023 2.390 8.971 1.00 0.00 H new ATOM 0 HB THR A 69 -5.055 1.607 11.085 1.00 0.00 H new ATOM 0 HG1 THR A 69 -5.913 -0.153 9.706 1.00 0.00 H new ATOM 0 HG21 THR A 69 -7.071 1.561 12.565 1.00 0.00 H new ATOM 0 HG22 THR A 69 -6.788 3.176 11.873 1.00 0.00 H new ATOM 0 HG23 THR A 69 -8.062 2.131 11.201 1.00 0.00 H new ATOM 1132 N ASN A 70 -4.138 3.807 9.904 1.00 0.00 N ATOM 1133 CA ASN A 70 -3.419 5.065 10.095 1.00 0.00 C ATOM 1134 C ASN A 70 -1.900 4.924 9.789 1.00 0.00 C ATOM 1135 O ASN A 70 -1.114 4.596 10.685 1.00 0.00 O ATOM 1136 CB ASN A 70 -3.706 5.587 11.514 1.00 0.00 C ATOM 1137 CG ASN A 70 -3.289 7.036 11.672 1.00 0.00 C ATOM 1138 OD1 ASN A 70 -2.361 7.534 11.048 1.00 0.00 O ATOM 1139 ND2 ASN A 70 -3.976 7.777 12.509 1.00 0.00 N ATOM 0 H ASN A 70 -3.545 2.986 10.024 1.00 0.00 H new ATOM 0 HA ASN A 70 -3.778 5.803 9.378 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -4.770 5.489 11.730 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -3.175 4.974 12.242 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -3.735 8.760 12.636 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -4.751 7.370 13.033 1.00 0.00 H new ATOM 1146 N PRO A 71 -1.452 5.215 8.551 1.00 0.00 N ATOM 1147 CA PRO A 71 -0.069 5.003 8.119 1.00 0.00 C ATOM 1148 C PRO A 71 0.887 5.973 8.810 1.00 0.00 C ATOM 1149 O PRO A 71 2.008 5.606 9.141 1.00 0.00 O ATOM 1150 CB PRO A 71 -0.074 5.199 6.596 1.00 0.00 C ATOM 1151 CG PRO A 71 -1.243 6.156 6.373 1.00 0.00 C ATOM 1152 CD PRO A 71 -2.238 5.735 7.450 1.00 0.00 C ATOM 0 HA PRO A 71 0.284 4.007 8.387 1.00 0.00 H new ATOM 0 HB2 PRO A 71 0.866 5.621 6.241 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -0.219 4.256 6.069 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -0.940 7.197 6.487 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -1.663 6.054 5.372 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -2.844 6.582 7.771 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -2.924 4.978 7.071 1.00 0.00 H new ATOM 1160 N LYS A 72 0.424 7.200 9.087 1.00 0.00 N ATOM 1161 CA LYS A 72 1.161 8.274 9.778 1.00 0.00 C ATOM 1162 C LYS A 72 1.411 7.979 11.262 1.00 0.00 C ATOM 1163 O LYS A 72 2.466 8.327 11.778 1.00 0.00 O ATOM 1164 CB LYS A 72 0.408 9.605 9.611 1.00 0.00 C ATOM 1165 CG LYS A 72 0.404 10.097 8.152 1.00 0.00 C ATOM 1166 CD LYS A 72 -0.512 11.317 7.986 1.00 0.00 C ATOM 1167 CE LYS A 72 -0.400 11.854 6.556 1.00 0.00 C ATOM 1168 NZ LYS A 72 -1.441 12.871 6.265 1.00 0.00 N ATOM 0 H LYS A 72 -0.519 7.487 8.824 1.00 0.00 H new ATOM 0 HA LYS A 72 2.145 8.340 9.313 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -0.620 9.484 9.954 1.00 0.00 H new ATOM 0 HB3 LYS A 72 0.868 10.362 10.246 1.00 0.00 H new ATOM 0 HG2 LYS A 72 1.419 10.355 7.849 1.00 0.00 H new ATOM 0 HG3 LYS A 72 0.070 9.294 7.495 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -1.544 11.041 8.202 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -0.234 12.093 8.699 1.00 0.00 H new ATOM 0 HE2 LYS A 72 0.587 12.292 6.409 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -0.491 11.029 5.850 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -1.280 13.271 5.319 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -2.380 12.426 6.298 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -1.393 13.630 6.974 1.00 0.00 H new ATOM 1182 N LYS A 73 0.480 7.289 11.935 1.00 0.00 N ATOM 1183 CA LYS A 73 0.690 6.668 13.261 1.00 0.00 C ATOM 1184 C LYS A 73 1.748 5.572 13.177 1.00 0.00 C ATOM 1185 O LYS A 73 2.595 5.447 14.055 1.00 0.00 O ATOM 1186 CB LYS A 73 -0.660 6.141 13.794 1.00 0.00 C ATOM 1187 CG LYS A 73 -0.642 5.109 14.945 1.00 0.00 C ATOM 1188 CD LYS A 73 -0.500 3.645 14.468 1.00 0.00 C ATOM 1189 CE LYS A 73 -0.842 2.640 15.572 1.00 0.00 C ATOM 1190 NZ LYS A 73 -0.655 1.249 15.096 1.00 0.00 N ATOM 0 H LYS A 73 -0.461 7.141 11.570 1.00 0.00 H new ATOM 0 HA LYS A 73 1.065 7.411 13.965 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -1.244 6.999 14.126 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -1.197 5.695 12.957 1.00 0.00 H new ATOM 0 HG2 LYS A 73 0.183 5.344 15.618 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -1.562 5.206 15.522 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -1.154 3.479 13.612 1.00 0.00 H new ATOM 0 HD3 LYS A 73 0.521 3.473 14.127 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -0.210 2.819 16.441 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -1.874 2.783 15.893 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -1.110 0.591 15.760 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -1.085 1.143 14.155 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 0.361 1.036 15.038 1.00 0.00 H new ATOM 1204 N TYR A 74 1.676 4.739 12.140 1.00 0.00 N ATOM 1205 CA TYR A 74 2.601 3.621 11.953 1.00 0.00 C ATOM 1206 C TYR A 74 4.042 4.089 11.670 1.00 0.00 C ATOM 1207 O TYR A 74 4.999 3.542 12.226 1.00 0.00 O ATOM 1208 CB TYR A 74 2.063 2.695 10.853 1.00 0.00 C ATOM 1209 CG TYR A 74 2.412 1.251 11.128 1.00 0.00 C ATOM 1210 CD1 TYR A 74 3.690 0.757 10.812 1.00 0.00 C ATOM 1211 CD2 TYR A 74 1.485 0.434 11.804 1.00 0.00 C ATOM 1212 CE1 TYR A 74 4.065 -0.535 11.228 1.00 0.00 C ATOM 1213 CE2 TYR A 74 1.857 -0.855 12.226 1.00 0.00 C ATOM 1214 CZ TYR A 74 3.155 -1.332 11.955 1.00 0.00 C ATOM 1215 OH TYR A 74 3.542 -2.542 12.426 1.00 0.00 O ATOM 0 H TYR A 74 0.974 4.820 11.405 1.00 0.00 H new ATOM 0 HA TYR A 74 2.659 3.060 12.886 1.00 0.00 H new ATOM 0 HB2 TYR A 74 0.981 2.802 10.782 1.00 0.00 H new ATOM 0 HB3 TYR A 74 2.476 2.994 9.890 1.00 0.00 H new ATOM 0 HD1 TYR A 74 4.383 1.367 10.251 1.00 0.00 H new ATOM 0 HD2 TYR A 74 0.487 0.798 11.999 1.00 0.00 H new ATOM 0 HE1 TYR A 74 5.048 -0.915 10.991 1.00 0.00 H new ATOM 0 HE2 TYR A 74 1.151 -1.477 12.756 1.00 0.00 H new ATOM 0 HH TYR A 74 2.796 -2.960 12.905 1.00 0.00 H new ATOM 1225 N ILE A 75 4.187 5.128 10.851 1.00 0.00 N ATOM 1226 CA ILE A 75 5.459 5.690 10.399 1.00 0.00 C ATOM 1227 C ILE A 75 5.416 7.225 10.575 1.00 0.00 C ATOM 1228 O ILE A 75 5.175 7.957 9.612 1.00 0.00 O ATOM 1229 CB ILE A 75 5.770 5.222 8.956 1.00 0.00 C ATOM 1230 CG1 ILE A 75 5.648 3.688 8.789 1.00 0.00 C ATOM 1231 CG2 ILE A 75 7.193 5.678 8.592 1.00 0.00 C ATOM 1232 CD1 ILE A 75 5.996 3.157 7.394 1.00 0.00 C ATOM 0 H ILE A 75 3.384 5.625 10.466 1.00 0.00 H new ATOM 0 HA ILE A 75 6.289 5.325 11.005 1.00 0.00 H new ATOM 0 HB ILE A 75 5.035 5.669 8.287 1.00 0.00 H new ATOM 0 HG12 ILE A 75 6.300 3.206 9.518 1.00 0.00 H new ATOM 0 HG13 ILE A 75 4.627 3.392 9.029 1.00 0.00 H new ATOM 0 HG21 ILE A 75 7.430 5.357 7.578 1.00 0.00 H new ATOM 0 HG22 ILE A 75 7.253 6.765 8.652 1.00 0.00 H new ATOM 0 HG23 ILE A 75 7.906 5.236 9.288 1.00 0.00 H new ATOM 0 HD11 ILE A 75 5.880 2.073 7.378 1.00 0.00 H new ATOM 0 HD12 ILE A 75 5.329 3.604 6.657 1.00 0.00 H new ATOM 0 HD13 ILE A 75 7.027 3.415 7.153 1.00 0.00 H new ATOM 1244 N PRO A 76 5.632 7.735 11.804 1.00 0.00 N ATOM 1245 CA PRO A 76 5.711 9.170 12.071 1.00 0.00 C ATOM 1246 C PRO A 76 7.000 9.734 11.455 1.00 0.00 C ATOM 1247 O PRO A 76 8.079 9.608 12.024 1.00 0.00 O ATOM 1248 CB PRO A 76 5.640 9.307 13.596 1.00 0.00 C ATOM 1249 CG PRO A 76 6.241 7.996 14.101 1.00 0.00 C ATOM 1250 CD PRO A 76 5.821 6.981 13.038 1.00 0.00 C ATOM 0 HA PRO A 76 4.902 9.745 11.621 1.00 0.00 H new ATOM 0 HB2 PRO A 76 6.206 10.170 13.948 1.00 0.00 H new ATOM 0 HB3 PRO A 76 4.614 9.437 13.940 1.00 0.00 H new ATOM 0 HG2 PRO A 76 7.326 8.059 14.190 1.00 0.00 H new ATOM 0 HG3 PRO A 76 5.855 7.730 15.085 1.00 0.00 H new ATOM 0 HD2 PRO A 76 6.584 6.213 12.911 1.00 0.00 H new ATOM 0 HD3 PRO A 76 4.901 6.473 13.328 1.00 0.00 H new ATOM 1258 N GLY A 77 6.888 10.278 10.241 1.00 0.00 N ATOM 1259 CA GLY A 77 7.999 10.671 9.362 1.00 0.00 C ATOM 1260 C GLY A 77 7.869 10.192 7.907 1.00 0.00 C ATOM 1261 O GLY A 77 8.683 10.576 7.073 1.00 0.00 O ATOM 0 H GLY A 77 5.978 10.467 9.821 1.00 0.00 H new ATOM 0 HA2 GLY A 77 8.080 11.758 9.366 1.00 0.00 H new ATOM 0 HA3 GLY A 77 8.928 10.280 9.777 1.00 0.00 H new ATOM 1265 N THR A 78 6.856 9.372 7.589 1.00 0.00 N ATOM 1266 CA THR A 78 6.516 8.895 6.231 1.00 0.00 C ATOM 1267 C THR A 78 6.199 10.025 5.252 1.00 0.00 C ATOM 1268 O THR A 78 5.597 11.041 5.608 1.00 0.00 O ATOM 1269 CB THR A 78 5.315 7.927 6.297 1.00 0.00 C ATOM 1270 OG1 THR A 78 4.988 7.312 5.075 1.00 0.00 O ATOM 1271 CG2 THR A 78 3.991 8.560 6.747 1.00 0.00 C ATOM 0 H THR A 78 6.222 9.005 8.298 1.00 0.00 H new ATOM 0 HA THR A 78 7.403 8.385 5.855 1.00 0.00 H new ATOM 0 HB THR A 78 5.691 7.213 7.030 1.00 0.00 H new ATOM 0 HG1 THR A 78 5.769 7.324 4.484 1.00 0.00 H new ATOM 0 HG21 THR A 78 3.210 7.800 6.761 1.00 0.00 H new ATOM 0 HG22 THR A 78 4.109 8.977 7.747 1.00 0.00 H new ATOM 0 HG23 THR A 78 3.713 9.353 6.053 1.00 0.00 H new ATOM 1279 N LYS A 79 6.504 9.785 3.972 1.00 0.00 N ATOM 1280 CA LYS A 79 6.017 10.559 2.823 1.00 0.00 C ATOM 1281 C LYS A 79 4.595 10.151 2.397 1.00 0.00 C ATOM 1282 O LYS A 79 4.017 10.842 1.558 1.00 0.00 O ATOM 1283 CB LYS A 79 6.971 10.360 1.637 1.00 0.00 C ATOM 1284 CG LYS A 79 8.361 10.998 1.744 1.00 0.00 C ATOM 1285 CD LYS A 79 9.299 10.287 0.752 1.00 0.00 C ATOM 1286 CE LYS A 79 10.671 10.960 0.682 1.00 0.00 C ATOM 1287 NZ LYS A 79 11.605 10.187 -0.175 1.00 0.00 N ATOM 0 H LYS A 79 7.119 9.019 3.697 1.00 0.00 H new ATOM 0 HA LYS A 79 5.984 11.605 3.126 1.00 0.00 H new ATOM 0 HB2 LYS A 79 7.101 9.289 1.484 1.00 0.00 H new ATOM 0 HB3 LYS A 79 6.486 10.753 0.743 1.00 0.00 H new ATOM 0 HG2 LYS A 79 8.308 12.063 1.519 1.00 0.00 H new ATOM 0 HG3 LYS A 79 8.744 10.906 2.760 1.00 0.00 H new ATOM 0 HD2 LYS A 79 9.420 9.246 1.050 1.00 0.00 H new ATOM 0 HD3 LYS A 79 8.845 10.284 -0.239 1.00 0.00 H new ATOM 0 HE2 LYS A 79 10.564 11.971 0.288 1.00 0.00 H new ATOM 0 HE3 LYS A 79 11.086 11.052 1.686 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 12.367 10.811 -0.509 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 12.015 9.405 0.375 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 11.089 9.802 -0.992 1.00 0.00 H new ATOM 1301 N MET A 80 3.987 9.092 2.951 1.00 0.00 N ATOM 1302 CA MET A 80 2.590 8.722 2.720 1.00 0.00 C ATOM 1303 C MET A 80 1.621 9.755 3.331 1.00 0.00 C ATOM 1304 O MET A 80 0.965 9.548 4.355 1.00 0.00 O ATOM 1305 CB MET A 80 2.350 7.267 3.156 1.00 0.00 C ATOM 1306 CG MET A 80 0.934 6.809 2.809 1.00 0.00 C ATOM 1307 SD MET A 80 0.761 5.081 2.267 1.00 0.00 S ATOM 1308 CE MET A 80 -1.009 4.850 2.552 1.00 0.00 C ATOM 0 H MET A 80 4.468 8.456 3.587 1.00 0.00 H new ATOM 0 HA MET A 80 2.373 8.752 1.652 1.00 0.00 H new ATOM 0 HB2 MET A 80 3.075 6.615 2.669 1.00 0.00 H new ATOM 0 HB3 MET A 80 2.511 7.176 4.230 1.00 0.00 H new ATOM 0 HG2 MET A 80 0.301 6.959 3.684 1.00 0.00 H new ATOM 0 HG3 MET A 80 0.548 7.456 2.021 1.00 0.00 H new ATOM 0 HE1 MET A 80 -1.307 3.861 2.205 1.00 0.00 H new ATOM 0 HE2 MET A 80 -1.221 4.940 3.617 1.00 0.00 H new ATOM 0 HE3 MET A 80 -1.568 5.610 2.005 1.00 0.00 H new ATOM 1318 N ALA A 81 1.487 10.891 2.644 1.00 0.00 N ATOM 1319 CA ALA A 81 0.758 12.088 3.058 1.00 0.00 C ATOM 1320 C ALA A 81 -0.772 11.945 3.151 1.00 0.00 C ATOM 1321 O ALA A 81 -1.454 12.894 3.531 1.00 0.00 O ATOM 1322 CB ALA A 81 1.181 13.239 2.139 1.00 0.00 C ATOM 0 H ALA A 81 1.913 11.005 1.724 1.00 0.00 H new ATOM 0 HA ALA A 81 1.034 12.290 4.093 1.00 0.00 H new ATOM 0 HB1 ALA A 81 0.651 14.147 2.426 1.00 0.00 H new ATOM 0 HB2 ALA A 81 2.255 13.401 2.230 1.00 0.00 H new ATOM 0 HB3 ALA A 81 0.938 12.988 1.106 1.00 0.00 H new ATOM 1328 N PHE A 82 -1.278 10.735 2.924 1.00 0.00 N ATOM 1329 CA PHE A 82 -2.666 10.284 3.053 1.00 0.00 C ATOM 1330 C PHE A 82 -3.170 10.300 4.520 1.00 0.00 C ATOM 1331 O PHE A 82 -3.441 11.365 5.072 1.00 0.00 O ATOM 1332 CB PHE A 82 -2.762 8.910 2.359 1.00 0.00 C ATOM 1333 CG PHE A 82 -4.139 8.270 2.326 1.00 0.00 C ATOM 1334 CD1 PHE A 82 -5.268 9.018 1.937 1.00 0.00 C ATOM 1335 CD2 PHE A 82 -4.293 6.910 2.656 1.00 0.00 C ATOM 1336 CE1 PHE A 82 -6.538 8.417 1.901 1.00 0.00 C ATOM 1337 CE2 PHE A 82 -5.561 6.310 2.620 1.00 0.00 C ATOM 1338 CZ PHE A 82 -6.685 7.063 2.247 1.00 0.00 C ATOM 0 H PHE A 82 -0.673 9.974 2.617 1.00 0.00 H new ATOM 0 HA PHE A 82 -3.345 10.978 2.559 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -2.410 9.019 1.333 1.00 0.00 H new ATOM 0 HB3 PHE A 82 -2.078 8.225 2.859 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -5.157 10.057 1.665 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -3.430 6.325 2.939 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -7.401 8.996 1.607 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -5.672 5.268 2.880 1.00 0.00 H new ATOM 0 HZ PHE A 82 -7.662 6.602 2.226 1.00 0.00 H new ATOM 1348 N GLY A 83 -3.266 9.156 5.210 1.00 0.00 N ATOM 1349 CA GLY A 83 -3.841 9.095 6.571 1.00 0.00 C ATOM 1350 C GLY A 83 -4.742 7.892 6.876 1.00 0.00 C ATOM 1351 O GLY A 83 -5.216 7.755 8.005 1.00 0.00 O ATOM 0 H GLY A 83 -2.953 8.254 4.851 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -3.021 9.099 7.289 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -4.417 10.005 6.740 1.00 0.00 H new ATOM 1355 N GLY A 84 -4.930 6.997 5.906 1.00 0.00 N ATOM 1356 CA GLY A 84 -5.606 5.715 6.076 1.00 0.00 C ATOM 1357 C GLY A 84 -7.123 5.816 5.938 1.00 0.00 C ATOM 1358 O GLY A 84 -7.748 6.830 6.256 1.00 0.00 O ATOM 0 H GLY A 84 -4.605 7.151 4.951 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -5.226 5.010 5.337 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -5.362 5.310 7.058 1.00 0.00 H new ATOM 1362 N LEU A 85 -7.746 4.719 5.524 1.00 0.00 N ATOM 1363 CA LEU A 85 -9.178 4.620 5.259 1.00 0.00 C ATOM 1364 C LEU A 85 -9.961 4.335 6.544 1.00 0.00 C ATOM 1365 O LEU A 85 -9.534 3.574 7.407 1.00 0.00 O ATOM 1366 CB LEU A 85 -9.411 3.499 4.228 1.00 0.00 C ATOM 1367 CG LEU A 85 -9.111 3.920 2.778 1.00 0.00 C ATOM 1368 CD1 LEU A 85 -9.082 2.701 1.858 1.00 0.00 C ATOM 1369 CD2 LEU A 85 -10.185 4.880 2.261 1.00 0.00 C ATOM 0 H LEU A 85 -7.251 3.843 5.357 1.00 0.00 H new ATOM 0 HA LEU A 85 -9.536 5.571 4.864 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -8.785 2.645 4.486 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -10.447 3.167 4.294 1.00 0.00 H new ATOM 0 HG LEU A 85 -8.139 4.412 2.776 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -8.868 3.020 0.838 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -8.307 2.011 2.192 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -10.050 2.201 1.887 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -9.954 5.165 1.235 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -11.157 4.388 2.291 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -10.209 5.771 2.889 1.00 0.00 H new ATOM 1381 N LYS A 86 -11.158 4.917 6.643 1.00 0.00 N ATOM 1382 CA LYS A 86 -12.051 4.853 7.815 1.00 0.00 C ATOM 1383 C LYS A 86 -13.378 4.129 7.512 1.00 0.00 C ATOM 1384 O LYS A 86 -14.387 4.369 8.163 1.00 0.00 O ATOM 1385 CB LYS A 86 -12.221 6.269 8.406 1.00 0.00 C ATOM 1386 CG LYS A 86 -10.900 7.012 8.715 1.00 0.00 C ATOM 1387 CD LYS A 86 -10.029 6.341 9.794 1.00 0.00 C ATOM 1388 CE LYS A 86 -8.743 7.136 10.071 1.00 0.00 C ATOM 1389 NZ LYS A 86 -7.717 6.930 9.020 1.00 0.00 N ATOM 0 H LYS A 86 -11.553 5.469 5.882 1.00 0.00 H new ATOM 0 HA LYS A 86 -11.590 4.233 8.583 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -12.804 6.870 7.708 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -12.802 6.195 9.325 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -10.320 7.093 7.796 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -11.135 8.027 9.035 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -10.603 6.246 10.716 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -9.770 5.332 9.475 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -8.982 8.197 10.139 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -8.335 6.838 11.037 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -7.001 7.681 9.082 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -7.261 6.005 9.156 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -8.169 6.959 8.084 1.00 0.00 H new ATOM 1403 N LYS A 87 -13.386 3.263 6.492 1.00 0.00 N ATOM 1404 CA LYS A 87 -14.392 2.223 6.229 1.00 0.00 C ATOM 1405 C LYS A 87 -13.677 0.910 5.897 1.00 0.00 C ATOM 1406 O LYS A 87 -13.014 0.813 4.867 1.00 0.00 O ATOM 1407 CB LYS A 87 -15.340 2.626 5.082 1.00 0.00 C ATOM 1408 CG LYS A 87 -16.468 3.581 5.505 1.00 0.00 C ATOM 1409 CD LYS A 87 -16.167 5.067 5.266 1.00 0.00 C ATOM 1410 CE LYS A 87 -17.337 5.906 5.803 1.00 0.00 C ATOM 1411 NZ LYS A 87 -17.181 7.346 5.480 1.00 0.00 N ATOM 0 H LYS A 87 -12.649 3.268 5.787 1.00 0.00 H new ATOM 0 HA LYS A 87 -15.004 2.096 7.122 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -14.756 3.098 4.292 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -15.782 1.725 4.657 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -17.375 3.315 4.962 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -16.676 3.431 6.565 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -15.241 5.349 5.766 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -16.025 5.256 4.202 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -18.272 5.538 5.379 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -17.406 5.782 6.884 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -17.991 7.877 5.860 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -16.302 7.704 5.906 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -17.141 7.468 4.448 1.00 0.00 H new ATOM 1425 N GLU A 88 -13.756 -0.085 6.779 1.00 0.00 N ATOM 1426 CA GLU A 88 -12.967 -1.321 6.639 1.00 0.00 C ATOM 1427 C GLU A 88 -13.424 -2.263 5.530 1.00 0.00 C ATOM 1428 O GLU A 88 -12.582 -2.847 4.862 1.00 0.00 O ATOM 1429 CB GLU A 88 -12.849 -2.010 8.007 1.00 0.00 C ATOM 1430 CG GLU A 88 -11.534 -1.494 8.600 1.00 0.00 C ATOM 1431 CD GLU A 88 -11.401 -1.518 10.120 1.00 0.00 C ATOM 1432 OE1 GLU A 88 -12.297 -2.061 10.789 1.00 0.00 O ATOM 1433 OE2 GLU A 88 -10.408 -0.883 10.565 1.00 0.00 O ATOM 0 H GLU A 88 -14.358 -0.065 7.602 1.00 0.00 H new ATOM 0 HA GLU A 88 -11.974 -1.024 6.301 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -13.695 -1.762 8.648 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -12.836 -3.095 7.902 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -10.719 -2.083 8.180 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -11.391 -0.467 8.264 1.00 0.00 H new ATOM 1440 N LYS A 89 -14.720 -2.329 5.218 1.00 0.00 N ATOM 1441 CA LYS A 89 -15.229 -3.126 4.091 1.00 0.00 C ATOM 1442 C LYS A 89 -14.698 -2.632 2.738 1.00 0.00 C ATOM 1443 O LYS A 89 -14.417 -3.418 1.842 1.00 0.00 O ATOM 1444 CB LYS A 89 -16.759 -3.200 4.182 1.00 0.00 C ATOM 1445 CG LYS A 89 -17.186 -3.604 5.609 1.00 0.00 C ATOM 1446 CD LYS A 89 -18.391 -4.547 5.690 1.00 0.00 C ATOM 1447 CE LYS A 89 -18.615 -4.922 7.165 1.00 0.00 C ATOM 1448 NZ LYS A 89 -19.716 -5.902 7.336 1.00 0.00 N ATOM 0 H LYS A 89 -15.447 -1.835 5.735 1.00 0.00 H new ATOM 0 HA LYS A 89 -14.848 -4.145 4.161 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -17.194 -2.234 3.924 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -17.139 -3.924 3.461 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -16.339 -4.080 6.103 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -17.415 -2.699 6.172 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -19.279 -4.064 5.282 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -18.213 -5.442 5.094 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -17.695 -5.337 7.576 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -18.841 -4.022 7.736 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -19.829 -6.124 8.346 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -20.601 -5.497 6.969 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -19.490 -6.772 6.813 1.00 0.00 H new ATOM 1462 N ASP A 90 -14.459 -1.326 2.661 1.00 0.00 N ATOM 1463 CA ASP A 90 -13.739 -0.671 1.558 1.00 0.00 C ATOM 1464 C ASP A 90 -12.242 -1.055 1.548 1.00 0.00 C ATOM 1465 O ASP A 90 -11.706 -1.407 0.496 1.00 0.00 O ATOM 1466 CB ASP A 90 -13.973 0.858 1.627 1.00 0.00 C ATOM 1467 CG ASP A 90 -14.176 1.524 0.256 1.00 0.00 C ATOM 1468 OD1 ASP A 90 -14.934 0.952 -0.564 1.00 0.00 O ATOM 1469 OD2 ASP A 90 -13.652 2.651 0.066 1.00 0.00 O ATOM 0 H ASP A 90 -14.766 -0.671 3.380 1.00 0.00 H new ATOM 0 HA ASP A 90 -14.135 -1.026 0.607 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -14.848 1.053 2.247 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -13.121 1.323 2.122 1.00 0.00 H new ATOM 1474 N ARG A 91 -11.566 -1.116 2.712 1.00 0.00 N ATOM 1475 CA ARG A 91 -10.203 -1.692 2.798 1.00 0.00 C ATOM 1476 C ARG A 91 -10.181 -3.171 2.383 1.00 0.00 C ATOM 1477 O ARG A 91 -9.218 -3.600 1.758 1.00 0.00 O ATOM 1478 CB ARG A 91 -9.547 -1.549 4.194 1.00 0.00 C ATOM 1479 CG ARG A 91 -9.418 -0.119 4.752 1.00 0.00 C ATOM 1480 CD ARG A 91 -8.267 -0.002 5.781 1.00 0.00 C ATOM 1481 NE ARG A 91 -8.588 0.867 6.941 1.00 0.00 N ATOM 1482 CZ ARG A 91 -8.825 0.457 8.175 1.00 0.00 C ATOM 1483 NH1 ARG A 91 -8.486 -0.714 8.606 1.00 0.00 N ATOM 1484 NH2 ARG A 91 -9.454 1.210 9.024 1.00 0.00 N ATOM 0 H ARG A 91 -11.935 -0.777 3.601 1.00 0.00 H new ATOM 0 HA ARG A 91 -9.613 -1.102 2.096 1.00 0.00 H new ATOM 0 HB2 ARG A 91 -10.124 -2.141 4.904 1.00 0.00 H new ATOM 0 HB3 ARG A 91 -8.550 -1.988 4.149 1.00 0.00 H new ATOM 0 HG2 ARG A 91 -9.243 0.577 3.931 1.00 0.00 H new ATOM 0 HG3 ARG A 91 -10.357 0.173 5.223 1.00 0.00 H new ATOM 0 HD2 ARG A 91 -8.014 -0.998 6.144 1.00 0.00 H new ATOM 0 HD3 ARG A 91 -7.382 0.389 5.279 1.00 0.00 H new ATOM 0 HE ARG A 91 -8.629 1.872 6.770 1.00 0.00 H new ATOM 0 HH11 ARG A 91 -8.013 -1.369 7.984 1.00 0.00 H new ATOM 0 HH12 ARG A 91 -8.692 -0.983 9.568 1.00 0.00 H new ATOM 0 HH21 ARG A 91 -9.775 2.137 8.744 1.00 0.00 H new ATOM 0 HH22 ARG A 91 -9.627 0.875 9.972 1.00 0.00 H new ATOM 1498 N ASN A 92 -11.212 -3.952 2.711 1.00 0.00 N ATOM 1499 CA ASN A 92 -11.264 -5.391 2.441 1.00 0.00 C ATOM 1500 C ASN A 92 -11.268 -5.686 0.936 1.00 0.00 C ATOM 1501 O ASN A 92 -10.488 -6.522 0.478 1.00 0.00 O ATOM 1502 CB ASN A 92 -12.478 -6.043 3.130 1.00 0.00 C ATOM 1503 CG ASN A 92 -12.492 -5.988 4.650 1.00 0.00 C ATOM 1504 OD1 ASN A 92 -13.516 -5.755 5.270 1.00 0.00 O ATOM 1505 ND2 ASN A 92 -11.402 -6.256 5.331 1.00 0.00 N ATOM 0 H ASN A 92 -12.047 -3.598 3.178 1.00 0.00 H new ATOM 0 HA ASN A 92 -10.359 -5.831 2.860 1.00 0.00 H new ATOM 0 HB2 ASN A 92 -13.383 -5.560 2.761 1.00 0.00 H new ATOM 0 HB3 ASN A 92 -12.526 -7.088 2.824 1.00 0.00 H new ATOM 0 HD21 ASN A 92 -11.427 -6.265 6.351 1.00 0.00 H new ATOM 0 HD22 ASN A 92 -10.530 -6.455 4.840 1.00 0.00 H new ATOM 1512 N ASP A 93 -12.098 -4.985 0.157 1.00 0.00 N ATOM 1513 CA ASP A 93 -12.040 -5.034 -1.310 1.00 0.00 C ATOM 1514 C ASP A 93 -10.667 -4.614 -1.857 1.00 0.00 C ATOM 1515 O ASP A 93 -10.108 -5.298 -2.718 1.00 0.00 O ATOM 1516 CB ASP A 93 -13.110 -4.117 -1.903 1.00 0.00 C ATOM 1517 CG ASP A 93 -14.521 -4.692 -1.837 1.00 0.00 C ATOM 1518 OD1 ASP A 93 -14.730 -5.796 -2.387 1.00 0.00 O ATOM 1519 OD2 ASP A 93 -15.406 -3.947 -1.364 1.00 0.00 O ATOM 0 H ASP A 93 -12.826 -4.370 0.522 1.00 0.00 H new ATOM 0 HA ASP A 93 -12.216 -6.070 -1.601 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -13.091 -3.164 -1.375 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -12.861 -3.909 -2.944 1.00 0.00 H new ATOM 1524 N LEU A 94 -10.121 -3.497 -1.361 1.00 0.00 N ATOM 1525 CA LEU A 94 -8.825 -2.954 -1.778 1.00 0.00 C ATOM 1526 C LEU A 94 -7.663 -3.933 -1.528 1.00 0.00 C ATOM 1527 O LEU A 94 -6.830 -4.121 -2.412 1.00 0.00 O ATOM 1528 CB LEU A 94 -8.603 -1.611 -1.063 1.00 0.00 C ATOM 1529 CG LEU A 94 -7.456 -0.776 -1.660 1.00 0.00 C ATOM 1530 CD1 LEU A 94 -7.863 -0.114 -2.978 1.00 0.00 C ATOM 1531 CD2 LEU A 94 -7.101 0.335 -0.677 1.00 0.00 C ATOM 0 H LEU A 94 -10.578 -2.935 -0.644 1.00 0.00 H new ATOM 0 HA LEU A 94 -8.842 -2.797 -2.856 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -9.524 -1.030 -1.105 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -8.394 -1.800 -0.010 1.00 0.00 H new ATOM 0 HG LEU A 94 -6.615 -1.444 -1.845 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -7.026 0.466 -3.367 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -8.140 -0.882 -3.701 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -8.713 0.546 -2.806 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -6.289 0.936 -1.085 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -7.973 0.967 -0.512 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -6.787 -0.104 0.270 1.00 0.00 H new ATOM 1543 N ILE A 95 -7.641 -4.592 -0.365 1.00 0.00 N ATOM 1544 CA ILE A 95 -6.720 -5.680 -0.002 1.00 0.00 C ATOM 1545 C ILE A 95 -6.912 -6.870 -0.948 1.00 0.00 C ATOM 1546 O ILE A 95 -5.941 -7.295 -1.567 1.00 0.00 O ATOM 1547 CB ILE A 95 -6.878 -6.068 1.490 1.00 0.00 C ATOM 1548 CG1 ILE A 95 -6.337 -4.935 2.397 1.00 0.00 C ATOM 1549 CG2 ILE A 95 -6.132 -7.375 1.831 1.00 0.00 C ATOM 1550 CD1 ILE A 95 -6.852 -5.005 3.841 1.00 0.00 C ATOM 0 H ILE A 95 -8.295 -4.373 0.386 1.00 0.00 H new ATOM 0 HA ILE A 95 -5.693 -5.334 -0.121 1.00 0.00 H new ATOM 0 HB ILE A 95 -7.942 -6.222 1.668 1.00 0.00 H new ATOM 0 HG12 ILE A 95 -5.248 -4.977 2.406 1.00 0.00 H new ATOM 0 HG13 ILE A 95 -6.615 -3.973 1.967 1.00 0.00 H new ATOM 0 HG21 ILE A 95 -6.270 -7.608 2.887 1.00 0.00 H new ATOM 0 HG22 ILE A 95 -6.529 -8.189 1.225 1.00 0.00 H new ATOM 0 HG23 ILE A 95 -5.069 -7.252 1.623 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -6.432 -4.181 4.418 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -7.940 -4.932 3.843 1.00 0.00 H new ATOM 0 HD13 ILE A 95 -6.551 -5.952 4.289 1.00 0.00 H new ATOM 1562 N THR A 96 -8.133 -7.394 -1.118 1.00 0.00 N ATOM 1563 CA THR A 96 -8.368 -8.497 -2.069 1.00 0.00 C ATOM 1564 C THR A 96 -7.896 -8.167 -3.490 1.00 0.00 C ATOM 1565 O THR A 96 -7.312 -9.023 -4.146 1.00 0.00 O ATOM 1566 CB THR A 96 -9.837 -8.932 -2.067 1.00 0.00 C ATOM 1567 OG1 THR A 96 -10.128 -9.493 -0.810 1.00 0.00 O ATOM 1568 CG2 THR A 96 -10.171 -10.036 -3.071 1.00 0.00 C ATOM 0 H THR A 96 -8.965 -7.080 -0.619 1.00 0.00 H new ATOM 0 HA THR A 96 -7.762 -9.334 -1.723 1.00 0.00 H new ATOM 0 HB THR A 96 -10.407 -8.038 -2.319 1.00 0.00 H new ATOM 0 HG1 THR A 96 -9.316 -9.506 -0.262 1.00 0.00 H new ATOM 0 HG21 THR A 96 -11.231 -10.282 -3.002 1.00 0.00 H new ATOM 0 HG22 THR A 96 -9.943 -9.691 -4.080 1.00 0.00 H new ATOM 0 HG23 THR A 96 -9.577 -10.922 -2.848 1.00 0.00 H new ATOM 1576 N TYR A 97 -8.092 -6.936 -3.966 1.00 0.00 N ATOM 1577 CA TYR A 97 -7.511 -6.469 -5.228 1.00 0.00 C ATOM 1578 C TYR A 97 -5.983 -6.490 -5.224 1.00 0.00 C ATOM 1579 O TYR A 97 -5.392 -7.161 -6.061 1.00 0.00 O ATOM 1580 CB TYR A 97 -8.025 -5.070 -5.572 1.00 0.00 C ATOM 1581 CG TYR A 97 -7.284 -4.386 -6.707 1.00 0.00 C ATOM 1582 CD1 TYR A 97 -7.356 -4.908 -8.014 1.00 0.00 C ATOM 1583 CD2 TYR A 97 -6.490 -3.250 -6.452 1.00 0.00 C ATOM 1584 CE1 TYR A 97 -6.665 -4.285 -9.069 1.00 0.00 C ATOM 1585 CE2 TYR A 97 -5.791 -2.631 -7.506 1.00 0.00 C ATOM 1586 CZ TYR A 97 -5.890 -3.134 -8.820 1.00 0.00 C ATOM 1587 OH TYR A 97 -5.246 -2.508 -9.840 1.00 0.00 O ATOM 0 H TYR A 97 -8.658 -6.234 -3.488 1.00 0.00 H new ATOM 0 HA TYR A 97 -7.833 -7.170 -5.998 1.00 0.00 H new ATOM 0 HB2 TYR A 97 -9.081 -5.139 -5.834 1.00 0.00 H new ATOM 0 HB3 TYR A 97 -7.958 -4.444 -4.682 1.00 0.00 H new ATOM 0 HD1 TYR A 97 -7.946 -5.792 -8.207 1.00 0.00 H new ATOM 0 HD2 TYR A 97 -6.418 -2.855 -5.450 1.00 0.00 H new ATOM 0 HE1 TYR A 97 -6.728 -4.688 -10.069 1.00 0.00 H new ATOM 0 HE2 TYR A 97 -5.176 -1.766 -7.307 1.00 0.00 H new ATOM 0 HH TYR A 97 -5.175 -1.551 -9.644 1.00 0.00 H new ATOM 1597 N LEU A 98 -5.334 -5.751 -4.320 1.00 0.00 N ATOM 1598 CA LEU A 98 -3.883 -5.539 -4.346 1.00 0.00 C ATOM 1599 C LEU A 98 -3.096 -6.833 -4.123 1.00 0.00 C ATOM 1600 O LEU A 98 -2.055 -7.040 -4.748 1.00 0.00 O ATOM 1601 CB LEU A 98 -3.515 -4.444 -3.326 1.00 0.00 C ATOM 1602 CG LEU A 98 -2.867 -3.215 -3.985 1.00 0.00 C ATOM 1603 CD1 LEU A 98 -2.912 -2.022 -3.033 1.00 0.00 C ATOM 1604 CD2 LEU A 98 -1.407 -3.482 -4.346 1.00 0.00 C ATOM 0 H LEU A 98 -5.802 -5.280 -3.546 1.00 0.00 H new ATOM 0 HA LEU A 98 -3.598 -5.202 -5.342 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -4.413 -4.134 -2.792 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -2.830 -4.858 -2.586 1.00 0.00 H new ATOM 0 HG LEU A 98 -3.429 -3.000 -4.894 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -2.450 -1.158 -3.511 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -3.949 -1.791 -2.788 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -2.369 -2.265 -2.120 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -0.979 -2.594 -4.810 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -0.848 -3.725 -3.443 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -1.352 -4.318 -5.043 1.00 0.00 H new ATOM 1616 N LYS A 99 -3.652 -7.743 -3.317 1.00 0.00 N ATOM 1617 CA LYS A 99 -3.244 -9.149 -3.259 1.00 0.00 C ATOM 1618 C LYS A 99 -3.301 -9.779 -4.661 1.00 0.00 C ATOM 1619 O LYS A 99 -2.260 -10.147 -5.188 1.00 0.00 O ATOM 1620 CB LYS A 99 -4.068 -9.869 -2.172 1.00 0.00 C ATOM 1621 CG LYS A 99 -3.510 -11.258 -1.828 1.00 0.00 C ATOM 1622 CD LYS A 99 -4.118 -11.836 -0.535 1.00 0.00 C ATOM 1623 CE LYS A 99 -3.445 -13.155 -0.124 1.00 0.00 C ATOM 1624 NZ LYS A 99 -3.923 -14.322 -0.902 1.00 0.00 N ATOM 0 H LYS A 99 -4.412 -7.518 -2.675 1.00 0.00 H new ATOM 0 HA LYS A 99 -2.202 -9.251 -2.957 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -4.087 -9.256 -1.271 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -5.099 -9.970 -2.511 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -3.708 -11.940 -2.655 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -2.427 -11.194 -1.719 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -4.015 -11.109 0.271 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -5.186 -12.003 -0.679 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -2.367 -13.060 -0.250 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -3.628 -13.334 0.936 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -3.111 -14.909 -1.181 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -4.574 -14.885 -0.318 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -4.420 -13.991 -1.754 1.00 0.00 H new ATOM 1638 N LYS A 100 -4.450 -9.749 -5.349 1.00 0.00 N ATOM 1639 CA LYS A 100 -4.675 -10.295 -6.717 1.00 0.00 C ATOM 1640 C LYS A 100 -3.872 -9.629 -7.848 1.00 0.00 C ATOM 1641 O LYS A 100 -3.746 -10.180 -8.936 1.00 0.00 O ATOM 1642 CB LYS A 100 -6.181 -10.261 -7.014 1.00 0.00 C ATOM 1643 CG LYS A 100 -6.690 -11.130 -8.185 1.00 0.00 C ATOM 1644 CD LYS A 100 -6.334 -12.627 -8.093 1.00 0.00 C ATOM 1645 CE LYS A 100 -5.188 -13.000 -9.046 1.00 0.00 C ATOM 1646 NZ LYS A 100 -4.619 -14.321 -8.711 1.00 0.00 N ATOM 0 H LYS A 100 -5.293 -9.327 -4.960 1.00 0.00 H new ATOM 0 HA LYS A 100 -4.292 -11.316 -6.704 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -6.710 -10.567 -6.112 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -6.463 -9.227 -7.213 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -7.774 -11.033 -8.244 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -6.284 -10.733 -9.115 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -6.050 -12.871 -7.069 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -7.214 -13.225 -8.331 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -5.554 -13.009 -10.073 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -4.407 -12.241 -8.993 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -3.660 -14.396 -9.106 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -4.577 -14.429 -7.677 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -5.219 -15.069 -9.113 1.00 0.00 H new ATOM 1660 N ALA A 101 -3.335 -8.443 -7.585 1.00 0.00 N ATOM 1661 CA ALA A 101 -2.371 -7.716 -8.425 1.00 0.00 C ATOM 1662 C ALA A 101 -0.920 -8.227 -8.272 1.00 0.00 C ATOM 1663 O ALA A 101 -0.033 -7.801 -9.018 1.00 0.00 O ATOM 1664 CB ALA A 101 -2.450 -6.213 -8.108 1.00 0.00 C ATOM 0 H ALA A 101 -3.569 -7.929 -6.735 1.00 0.00 H new ATOM 0 HA ALA A 101 -2.646 -7.897 -9.464 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -1.736 -5.672 -8.729 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -3.457 -5.850 -8.313 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -2.212 -6.050 -7.057 1.00 0.00 H new ATOM 1670 N THR A 102 -0.691 -9.117 -7.301 1.00 0.00 N ATOM 1671 CA THR A 102 0.609 -9.637 -6.849 1.00 0.00 C ATOM 1672 C THR A 102 0.651 -11.179 -6.852 1.00 0.00 C ATOM 1673 O THR A 102 1.701 -11.749 -7.140 1.00 0.00 O ATOM 1674 CB THR A 102 0.917 -9.128 -5.429 1.00 0.00 C ATOM 1675 OG1 THR A 102 0.751 -7.728 -5.339 1.00 0.00 O ATOM 1676 CG2 THR A 102 2.358 -9.424 -5.018 1.00 0.00 C ATOM 0 H THR A 102 -1.462 -9.523 -6.771 1.00 0.00 H new ATOM 0 HA THR A 102 1.360 -9.276 -7.551 1.00 0.00 H new ATOM 0 HB THR A 102 0.220 -9.648 -4.772 1.00 0.00 H new ATOM 0 HG1 THR A 102 -0.184 -7.522 -5.128 1.00 0.00 H new ATOM 0 HG21 THR A 102 2.533 -9.048 -4.010 1.00 0.00 H new ATOM 0 HG22 THR A 102 2.529 -10.500 -5.039 1.00 0.00 H new ATOM 0 HG23 THR A 102 3.042 -8.935 -5.711 1.00 0.00 H new ATOM 1684 N GLU A 103 -0.484 -11.840 -6.570 1.00 0.00 N ATOM 1685 CA GLU A 103 -0.714 -13.303 -6.611 1.00 0.00 C ATOM 1686 C GLU A 103 -2.024 -13.663 -7.312 1.00 0.00 C ATOM 1687 O GLU A 103 -1.997 -14.384 -8.333 1.00 0.00 O ATOM 1688 CB GLU A 103 -0.665 -13.927 -5.196 1.00 0.00 C ATOM 1689 CG GLU A 103 -1.670 -13.345 -4.173 1.00 0.00 C ATOM 1690 CD GLU A 103 -2.644 -14.363 -3.547 1.00 0.00 C ATOM 1691 OE1 GLU A 103 -2.194 -15.200 -2.729 1.00 0.00 O ATOM 1692 OE2 GLU A 103 -3.889 -14.185 -3.602 1.00 0.00 O ATOM 1693 OXT GLU A 103 -3.105 -13.229 -6.858 1.00 0.00 O ATOM 0 H GLU A 103 -1.325 -11.337 -6.288 1.00 0.00 H new ATOM 0 HA GLU A 103 0.100 -13.727 -7.199 1.00 0.00 H new ATOM 0 HB2 GLU A 103 -0.844 -14.999 -5.285 1.00 0.00 H new ATOM 0 HB3 GLU A 103 0.343 -13.804 -4.799 1.00 0.00 H new ATOM 0 HG2 GLU A 103 -1.109 -12.865 -3.371 1.00 0.00 H new ATOM 0 HG3 GLU A 103 -2.253 -12.566 -4.665 1.00 0.00 H new TER 1700 GLU A 103 HETATM 1701 FE HEC A 104 1.106 4.566 -0.018 1.00 0.00 FE HETATM 1702 CHA HEC A 104 4.333 3.384 0.688 1.00 0.00 C HETATM 1703 CHB HEC A 104 -0.128 1.328 0.090 1.00 0.00 C HETATM 1704 CHC HEC A 104 -2.060 5.770 -0.873 1.00 0.00 C HETATM 1705 CHD HEC A 104 2.435 7.733 -0.674 1.00 0.00 C HETATM 1706 NA HEC A 104 1.950 2.685 0.357 1.00 0.00 N HETATM 1707 C1A HEC A 104 3.278 2.458 0.623 1.00 0.00 C HETATM 1708 C2A HEC A 104 3.432 1.033 0.809 1.00 0.00 C HETATM 1709 C3A HEC A 104 2.192 0.463 0.631 1.00 0.00 C HETATM 1710 C4A HEC A 104 1.246 1.518 0.344 1.00 0.00 C HETATM 1711 CMA HEC A 104 1.902 -1.013 0.715 1.00 0.00 C HETATM 1712 CAA HEC A 104 4.703 0.296 1.176 1.00 0.00 C HETATM 1713 CBA HEC A 104 5.628 -0.017 -0.006 1.00 0.00 C HETATM 1714 CGA HEC A 104 6.842 -0.872 0.398 1.00 0.00 C HETATM 1715 O1A HEC A 104 6.974 -2.052 0.021 1.00 0.00 O HETATM 1716 O2A HEC A 104 7.732 -0.314 1.077 1.00 0.00 O HETATM 1717 NB HEC A 104 -0.781 3.698 -0.324 1.00 0.00 N HETATM 1718 C1B HEC A 104 -1.036 2.360 -0.223 1.00 0.00 C HETATM 1719 C2B HEC A 104 -2.440 2.174 -0.531 1.00 0.00 C HETATM 1720 C3B HEC A 104 -2.992 3.428 -0.724 1.00 0.00 C HETATM 1721 C4B HEC A 104 -1.917 4.391 -0.643 1.00 0.00 C HETATM 1722 CMB HEC A 104 -3.160 0.844 -0.658 1.00 0.00 C HETATM 1723 CAB HEC A 104 -4.445 3.753 -1.028 1.00 0.00 C HETATM 1724 CBB HEC A 104 -5.359 3.454 0.163 1.00 0.00 C HETATM 1725 NC HEC A 104 0.306 6.458 -0.604 1.00 0.00 N HETATM 1726 C1C HEC A 104 -1.003 6.681 -0.891 1.00 0.00 C HETATM 1727 C2C HEC A 104 -1.133 8.060 -1.293 1.00 0.00 C HETATM 1728 C3C HEC A 104 0.138 8.600 -1.316 1.00 0.00 C HETATM 1729 C4C HEC A 104 1.046 7.580 -0.822 1.00 0.00 C HETATM 1730 CMC HEC A 104 -2.422 8.708 -1.752 1.00 0.00 C HETATM 1731 CAC HEC A 104 0.544 9.921 -1.948 1.00 0.00 C HETATM 1732 CBC HEC A 104 0.175 11.121 -1.074 1.00 0.00 C HETATM 1733 ND HEC A 104 3.055 5.444 0.099 1.00 0.00 N HETATM 1734 C1D HEC A 104 3.322 6.731 -0.227 1.00 0.00 C HETATM 1735 C2D HEC A 104 4.753 6.887 -0.138 1.00 0.00 C HETATM 1736 C3D HEC A 104 5.285 5.724 0.392 1.00 0.00 C HETATM 1737 C4D HEC A 104 4.198 4.765 0.421 1.00 0.00 C HETATM 1738 CMD HEC A 104 5.486 8.054 -0.737 1.00 0.00 C HETATM 1739 CAD HEC A 104 6.742 5.378 0.679 1.00 0.00 C HETATM 1740 CBD HEC A 104 7.746 6.460 1.128 1.00 0.00 C HETATM 1741 CGD HEC A 104 7.768 6.757 2.628 1.00 0.00 C HETATM 1742 O1D HEC A 104 6.718 7.100 3.203 1.00 0.00 O HETATM 1743 O2D HEC A 104 8.871 6.739 3.217 1.00 0.00 O HETATM 0 HMD3 HEC A 104 5.315 8.078 -1.813 1.00 0.00 H new HETATM 0 HMD2 HEC A 104 5.122 8.980 -0.291 1.00 0.00 H new HETATM 0 HMD1 HEC A 104 6.553 7.952 -0.541 1.00 0.00 H new HETATM 0 HMC3 HEC A 104 -2.794 8.191 -2.636 1.00 0.00 H new HETATM 0 HMC2 HEC A 104 -3.164 8.646 -0.956 1.00 0.00 H new HETATM 0 HMC1 HEC A 104 -2.237 9.754 -1.995 1.00 0.00 H new HETATM 0 HMB3 HEC A 104 -2.701 0.256 -1.453 1.00 0.00 H new HETATM 0 HMB2 HEC A 104 -3.088 0.300 0.284 1.00 0.00 H new HETATM 0 HMB1 HEC A 104 -4.209 1.019 -0.896 1.00 0.00 H new HETATM 0 HMA3 HEC A 104 2.490 -1.543 -0.035 1.00 0.00 H new HETATM 0 HMA2 HEC A 104 2.165 -1.380 1.707 1.00 0.00 H new HETATM 0 HMA1 HEC A 104 0.841 -1.186 0.533 1.00 0.00 H new HETATM 0 HBD2 HEC A 104 8.746 6.152 0.822 1.00 0.00 H new HETATM 0 HBD1 HEC A 104 7.520 7.384 0.596 1.00 0.00 H new HETATM 0 HBC3 HEC A 104 -0.904 11.139 -0.918 1.00 0.00 H new HETATM 0 HBC2 HEC A 104 0.680 11.039 -0.111 1.00 0.00 H new HETATM 0 HBC1 HEC A 104 0.486 12.041 -1.569 1.00 0.00 H new HETATM 0 HBB3 HEC A 104 -5.292 2.396 0.416 1.00 0.00 H new HETATM 0 HBB2 HEC A 104 -5.048 4.052 1.019 1.00 0.00 H new HETATM 0 HBB1 HEC A 104 -6.388 3.701 -0.097 1.00 0.00 H new HETATM 0 HBA2 HEC A 104 5.061 -0.540 -0.777 1.00 0.00 H new HETATM 0 HBA1 HEC A 104 5.977 0.917 -0.446 1.00 0.00 H new HETATM 0 HAD2 HEC A 104 6.740 4.606 1.449 1.00 0.00 H new HETATM 0 HAD1 HEC A 104 7.146 4.925 -0.226 1.00 0.00 H new HETATM 0 HAA2 HEC A 104 5.255 0.892 1.903 1.00 0.00 H new HETATM 0 HAA1 HEC A 104 4.435 -0.639 1.667 1.00 0.00 H new HETATM 0 HHD HEC A 104 2.862 8.704 -0.925 1.00 0.00 H new HETATM 0 HHC HEC A 104 -3.065 6.154 -1.049 1.00 0.00 H new HETATM 0 HHB HEC A 104 -0.516 0.310 0.139 1.00 0.00 H new HETATM 0 HHA HEC A 104 5.320 3.013 0.962 1.00 0.00 H new HETATM 0 H2D HEC A 104 8.977 5.886 3.687 1.00 0.00 H new HETATM 0 H2A HEC A 104 8.241 0.301 0.508 1.00 0.00 H new