USER MOD reduce.3.24.130724 H: found=0, std=0, add=876, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 878 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 71 HIS HE2 : A 71 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 NoAdj-H: A 104 HEC H2D : A 104 HEC O2D : A 104 HEC CGD :(short bond) USER MOD NoAdj-H: A 104 HEC H2A : A 104 HEC O2A : A 104 HEC CGA :(short bond) USER MOD Set 1.1: A 40 SER OG : rot 83:sc= 0.399 USER MOD Set 1.2: A 52 ASN : amide:sc= -0.208 K(o=0.19,f=-3!) USER MOD Set 2.1: A 26 HIS : no HE2:sc= -15.2! C(o=-22!,f=-33!) USER MOD Set 2.2: A 31 ASN : amide:sc= -6.35 K(o=-22,f=-35!) 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+ -165:sc= -0.0607 (180deg=-0.62) USER MOD Single : A 8 THR OG1 : rot -49:sc= 1.2 USER MOD Single : A -2 LYS NZ :NH3+ -161:sc= -0.0386 (180deg=-0.667) USER MOD Single : A -5 THR N :NH3+ -146:sc= 0.162 (180deg=-0.0376) USER MOD Single : A -5 THR OG1 : rot -179:sc= 0.628 USER MOD Single : A 11 LYS NZ :NH3+ -161:sc= 0.185 (180deg=0.147) USER MOD Single : A 12 THR OG1 : rot -15:sc= 0.368 USER MOD Single : A 16 GLN : amide:sc= 0 K(o=0,f=-1.4!) USER MOD Single : A 19 THR OG1 : rot -120:sc= -0.0316 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 HIS : no HD1:sc= -4.58! C(o=-4.6!,f=-4.8!) USER MOD Single : A 39 HIS : no HD1:sc=-0.00791 X(o=-0.0079,f=-0.21) USER MOD Single : A 42 GLN : amide:sc= -0.186 K(o=-0.19,f=-2.8!) USER MOD Single : A 46 TYR OH : rot 180:sc= 0 USER MOD Single : A 47 SER OG : rot -37:sc= 0.904 USER MOD Single : A 48 TYR OH : rot -40:sc= -3.27! USER MOD Single : A 49 THR OG1 : rot 120:sc= -2.73! USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 ASN : amide:sc= -8.35! C(o=-8.4!,f=-4!) USER MOD Single : A 62 ASN : amide:sc=-0.00883 K(o=-0.0088,f=-1.6!) USER MOD Single : A 63 ASN : amide:sc= -0.103 K(o=-0.1,f=-1.8!) USER MOD Single : A 64 MET CE :methyl 167:sc= -3.72! (180deg=-4.47!) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 67 TYR OH : rot -97:sc= 0.881 USER MOD Single : A 69 THR OG1 : rot 180:sc= -2.91! USER MOD Single : A 70 ASN : amide:sc= -3.02! C(o=-3!,f=-4.4!) USER MOD Single : A 73 LYS NZ :NH3+ -163:sc= -0.174 (180deg=-0.856) USER MOD Single : A 74 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 THR OG1 : rot -90:sc= -4.54! USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 MET CE :methyl -154:sc= -0.272 (180deg=-1.67!) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 LYS NZ :NH3+ 160:sc= -0.0373 (180deg=-0.338) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 ASN : amide:sc= -5.01! C(o=-5!,f=-6!) USER MOD Single : A 96 THR OG1 : rot 65:sc= -0.25 USER MOD Single : A 97 TYR OH : rot 180:sc= 0 USER MOD Single : A 99 LYS NZ :NH3+ -172:sc= -1.34 (180deg=-1.52!) USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 THR OG1 : rot 77:sc= 0.324 USER MOD ----------------------------------------------------------------- ATOM 1 N THR A -5 -16.383 5.600 -2.082 1.00 0.00 N ATOM 2 CA THR A -5 -15.794 5.414 -0.727 1.00 0.00 C ATOM 3 C THR A -5 -15.150 6.724 -0.267 1.00 0.00 C ATOM 4 O THR A -5 -14.311 7.284 -0.942 1.00 0.00 O ATOM 5 CB THR A -5 -14.731 4.314 -0.778 1.00 0.00 C ATOM 6 OG1 THR A -5 -13.928 4.488 -1.936 1.00 0.00 O ATOM 7 CG2 THR A -5 -15.413 2.946 -0.829 1.00 0.00 C ATOM 0 H1 THR A -5 -17.244 5.023 -2.168 1.00 0.00 H new ATOM 0 H2 THR A -5 -16.622 6.602 -2.222 1.00 0.00 H new ATOM 0 H3 THR A -5 -15.695 5.304 -2.803 1.00 0.00 H new ATOM 0 HA THR A -5 -16.579 5.128 -0.026 1.00 0.00 H new ATOM 0 HB THR A -5 -14.104 4.372 0.112 1.00 0.00 H new ATOM 0 HG1 THR A -5 -13.252 3.780 -1.975 1.00 0.00 H new ATOM 0 HG21 THR A -5 -14.656 2.163 -0.865 1.00 0.00 H new ATOM 0 HG22 THR A -5 -16.030 2.813 0.060 1.00 0.00 H new ATOM 0 HG23 THR A -5 -16.041 2.885 -1.718 1.00 0.00 H new ATOM 17 N GLU A -4 -15.537 7.215 0.879 1.00 0.00 N ATOM 18 CA GLU A -4 -14.948 8.488 1.381 1.00 0.00 C ATOM 19 C GLU A -4 -13.922 8.181 2.475 1.00 0.00 C ATOM 20 O GLU A -4 -14.145 7.348 3.331 1.00 0.00 O ATOM 21 CB GLU A -4 -16.058 9.370 1.957 1.00 0.00 C ATOM 22 CG GLU A -4 -15.479 10.730 2.348 1.00 0.00 C ATOM 23 CD GLU A -4 -16.566 11.574 3.017 1.00 0.00 C ATOM 24 OE1 GLU A -4 -17.667 11.072 3.170 1.00 0.00 O ATOM 25 OE2 GLU A -4 -16.278 12.707 3.367 1.00 0.00 O ATOM 0 H GLU A -4 -16.235 6.789 1.489 1.00 0.00 H new ATOM 0 HA GLU A -4 -14.457 9.010 0.559 1.00 0.00 H new ATOM 0 HB2 GLU A -4 -16.853 9.499 1.222 1.00 0.00 H new ATOM 0 HB3 GLU A -4 -16.504 8.889 2.828 1.00 0.00 H new ATOM 0 HG2 GLU A -4 -14.637 10.597 3.028 1.00 0.00 H new ATOM 0 HG3 GLU A -4 -15.098 11.242 1.465 1.00 0.00 H new ATOM 32 N PHE A -3 -12.802 8.849 2.455 1.00 0.00 N ATOM 33 CA PHE A -3 -11.765 8.598 3.492 1.00 0.00 C ATOM 34 C PHE A -3 -11.144 9.931 3.920 1.00 0.00 C ATOM 35 O PHE A -3 -11.319 10.942 3.271 1.00 0.00 O ATOM 36 CB PHE A -3 -10.688 7.668 2.924 1.00 0.00 C ATOM 37 CG PHE A -3 -9.928 8.374 1.827 1.00 0.00 C ATOM 38 CD1 PHE A -3 -10.499 8.516 0.557 1.00 0.00 C ATOM 39 CD2 PHE A -3 -8.651 8.887 2.082 1.00 0.00 C ATOM 40 CE1 PHE A -3 -9.791 9.171 -0.459 1.00 0.00 C ATOM 41 CE2 PHE A -3 -7.943 9.541 1.067 1.00 0.00 C ATOM 42 CZ PHE A -3 -8.514 9.683 -0.204 1.00 0.00 C ATOM 0 H PHE A -3 -12.561 9.559 1.764 1.00 0.00 H new ATOM 0 HA PHE A -3 -12.219 8.122 4.361 1.00 0.00 H new ATOM 0 HB2 PHE A -3 -10.003 7.364 3.716 1.00 0.00 H new ATOM 0 HB3 PHE A -3 -11.148 6.760 2.534 1.00 0.00 H new ATOM 0 HD1 PHE A -3 -11.485 8.121 0.360 1.00 0.00 H new ATOM 0 HD2 PHE A -3 -8.212 8.778 3.063 1.00 0.00 H new ATOM 0 HE1 PHE A -3 -10.231 9.281 -1.439 1.00 0.00 H new ATOM 0 HE2 PHE A -3 -6.957 9.936 1.264 1.00 0.00 H new ATOM 0 HZ PHE A -3 -7.968 10.188 -0.988 1.00 0.00 H new ATOM 52 N LYS A -2 -10.431 9.945 5.013 1.00 0.00 N ATOM 53 CA LYS A -2 -9.815 11.218 5.486 1.00 0.00 C ATOM 54 C LYS A -2 -8.687 11.630 4.535 1.00 0.00 C ATOM 55 O LYS A -2 -7.934 10.808 4.057 1.00 0.00 O ATOM 56 CB LYS A -2 -9.243 11.015 6.891 1.00 0.00 C ATOM 57 CG LYS A -2 -10.331 10.475 7.826 1.00 0.00 C ATOM 58 CD LYS A -2 -11.420 11.532 8.027 1.00 0.00 C ATOM 59 CE LYS A -2 -12.279 11.152 9.236 1.00 0.00 C ATOM 60 NZ LYS A -2 -12.647 9.711 9.148 1.00 0.00 N ATOM 0 H LYS A -2 -10.248 9.130 5.599 1.00 0.00 H new ATOM 0 HA LYS A -2 -10.574 12.000 5.508 1.00 0.00 H new ATOM 0 HB2 LYS A -2 -8.405 10.319 6.854 1.00 0.00 H new ATOM 0 HB3 LYS A -2 -8.857 11.959 7.276 1.00 0.00 H new ATOM 0 HG2 LYS A -2 -10.766 9.568 7.406 1.00 0.00 H new ATOM 0 HG3 LYS A -2 -9.894 10.203 8.787 1.00 0.00 H new ATOM 0 HD2 LYS A -2 -10.968 12.512 8.182 1.00 0.00 H new ATOM 0 HD3 LYS A -2 -12.041 11.605 7.134 1.00 0.00 H new ATOM 0 HE2 LYS A -2 -11.732 11.343 10.159 1.00 0.00 H new ATOM 0 HE3 LYS A -2 -13.178 11.767 9.265 1.00 0.00 H new ATOM 0 HZ1 LYS A -2 -13.467 9.524 9.760 1.00 0.00 H new ATOM 0 HZ2 LYS A -2 -12.888 9.474 8.164 1.00 0.00 H new ATOM 0 HZ3 LYS A -2 -11.844 9.128 9.458 1.00 0.00 H new ATOM 74 N ALA A -1 -8.568 12.901 4.262 1.00 0.00 N ATOM 75 CA ALA A -1 -7.494 13.372 3.344 1.00 0.00 C ATOM 76 C ALA A -1 -6.814 14.606 3.940 1.00 0.00 C ATOM 77 O ALA A -1 -6.783 14.791 5.141 1.00 0.00 O ATOM 78 CB ALA A -1 -8.107 13.733 1.992 1.00 0.00 C ATOM 0 H ALA A -1 -9.170 13.634 4.636 1.00 0.00 H new ATOM 0 HA ALA A -1 -6.756 12.581 3.212 1.00 0.00 H new ATOM 0 HB1 ALA A -1 -7.323 14.078 1.318 1.00 0.00 H new ATOM 0 HB2 ALA A -1 -8.591 12.854 1.566 1.00 0.00 H new ATOM 0 HB3 ALA A -1 -8.844 14.524 2.127 1.00 0.00 H new ATOM 84 N GLY A 1 -6.267 15.453 3.109 1.00 0.00 N ATOM 85 CA GLY A 1 -5.589 16.674 3.629 1.00 0.00 C ATOM 86 C GLY A 1 -4.721 17.288 2.529 1.00 0.00 C ATOM 87 O GLY A 1 -5.090 18.266 1.909 1.00 0.00 O ATOM 0 H GLY A 1 -6.261 15.352 2.094 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -6.331 17.398 3.967 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -4.974 16.421 4.492 1.00 0.00 H new ATOM 91 N SER A 2 -3.573 16.720 2.280 1.00 0.00 N ATOM 92 CA SER A 2 -2.682 17.263 1.223 1.00 0.00 C ATOM 93 C SER A 2 -2.134 16.109 0.382 1.00 0.00 C ATOM 94 O SER A 2 -1.202 15.433 0.769 1.00 0.00 O ATOM 95 CB SER A 2 -1.525 18.019 1.874 1.00 0.00 C ATOM 96 OG SER A 2 -1.851 19.401 1.951 1.00 0.00 O ATOM 0 H SER A 2 -3.214 15.899 2.767 1.00 0.00 H new ATOM 0 HA SER A 2 -3.243 17.944 0.583 1.00 0.00 H new ATOM 0 HB2 SER A 2 -1.332 17.623 2.871 1.00 0.00 H new ATOM 0 HB3 SER A 2 -0.613 17.881 1.294 1.00 0.00 H new ATOM 0 HG SER A 2 -1.111 19.889 2.370 1.00 0.00 H new ATOM 102 N ALA A 3 -2.710 15.877 -0.766 1.00 0.00 N ATOM 103 CA ALA A 3 -2.228 14.764 -1.632 1.00 0.00 C ATOM 104 C ALA A 3 -0.796 15.047 -2.087 1.00 0.00 C ATOM 105 O ALA A 3 -0.016 14.144 -2.310 1.00 0.00 O ATOM 106 CB ALA A 3 -3.135 14.647 -2.858 1.00 0.00 C ATOM 0 H ALA A 3 -3.494 16.411 -1.142 1.00 0.00 H new ATOM 0 HA ALA A 3 -2.250 13.832 -1.067 1.00 0.00 H new ATOM 0 HB1 ALA A 3 -2.785 13.834 -3.493 1.00 0.00 H new ATOM 0 HB2 ALA A 3 -4.156 14.443 -2.537 1.00 0.00 H new ATOM 0 HB3 ALA A 3 -3.111 15.581 -3.419 1.00 0.00 H new ATOM 112 N LYS A 4 -0.446 16.295 -2.233 1.00 0.00 N ATOM 113 CA LYS A 4 0.933 16.633 -2.681 1.00 0.00 C ATOM 114 C LYS A 4 1.954 16.068 -1.687 1.00 0.00 C ATOM 115 O LYS A 4 2.898 15.405 -2.067 1.00 0.00 O ATOM 116 CB LYS A 4 1.076 18.154 -2.765 1.00 0.00 C ATOM 117 CG LYS A 4 0.790 18.766 -1.393 1.00 0.00 C ATOM 118 CD LYS A 4 0.176 20.156 -1.565 1.00 0.00 C ATOM 119 CE LYS A 4 -1.350 20.036 -1.604 1.00 0.00 C ATOM 120 NZ LYS A 4 -1.955 21.396 -1.665 1.00 0.00 N ATOM 0 H LYS A 4 -1.055 17.095 -2.061 1.00 0.00 H new ATOM 0 HA LYS A 4 1.116 16.196 -3.663 1.00 0.00 H new ATOM 0 HB2 LYS A 4 2.082 18.419 -3.091 1.00 0.00 H new ATOM 0 HB3 LYS A 4 0.385 18.555 -3.506 1.00 0.00 H new ATOM 0 HG2 LYS A 4 0.110 18.124 -0.833 1.00 0.00 H new ATOM 0 HG3 LYS A 4 1.712 18.834 -0.815 1.00 0.00 H new ATOM 0 HD2 LYS A 4 0.480 20.804 -0.743 1.00 0.00 H new ATOM 0 HD3 LYS A 4 0.539 20.615 -2.484 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -1.657 19.451 -2.471 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -1.706 19.507 -0.720 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -2.991 21.314 -1.691 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -1.672 21.940 -0.825 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -1.624 21.885 -2.521 1.00 0.00 H new ATOM 134 N LYS A 5 1.773 16.319 -0.417 1.00 0.00 N ATOM 135 CA LYS A 5 2.734 15.787 0.587 1.00 0.00 C ATOM 136 C LYS A 5 2.694 14.259 0.573 1.00 0.00 C ATOM 137 O LYS A 5 3.710 13.600 0.664 1.00 0.00 O ATOM 138 CB LYS A 5 2.345 16.292 1.975 1.00 0.00 C ATOM 139 CG LYS A 5 2.498 17.814 2.030 1.00 0.00 C ATOM 140 CD LYS A 5 2.242 18.301 3.458 1.00 0.00 C ATOM 141 CE LYS A 5 2.280 19.830 3.491 1.00 0.00 C ATOM 142 NZ LYS A 5 3.583 20.306 2.945 1.00 0.00 N ATOM 0 H LYS A 5 1.003 16.868 -0.035 1.00 0.00 H new ATOM 0 HA LYS A 5 3.741 16.125 0.343 1.00 0.00 H new ATOM 0 HB2 LYS A 5 1.316 16.012 2.200 1.00 0.00 H new ATOM 0 HB3 LYS A 5 2.975 15.826 2.732 1.00 0.00 H new ATOM 0 HG2 LYS A 5 3.500 18.101 1.710 1.00 0.00 H new ATOM 0 HG3 LYS A 5 1.796 18.286 1.342 1.00 0.00 H new ATOM 0 HD2 LYS A 5 1.273 17.943 3.807 1.00 0.00 H new ATOM 0 HD3 LYS A 5 2.995 17.893 4.133 1.00 0.00 H new ATOM 0 HE2 LYS A 5 1.457 20.238 2.904 1.00 0.00 H new ATOM 0 HE3 LYS A 5 2.150 20.186 4.513 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 3.720 21.306 3.195 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 4.356 19.740 3.349 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 3.583 20.205 1.910 1.00 0.00 H new ATOM 156 N GLY A 6 1.525 13.694 0.464 1.00 0.00 N ATOM 157 CA GLY A 6 1.408 12.208 0.448 1.00 0.00 C ATOM 158 C GLY A 6 2.152 11.640 -0.759 1.00 0.00 C ATOM 159 O GLY A 6 2.748 10.582 -0.691 1.00 0.00 O ATOM 0 H GLY A 6 0.642 14.198 0.385 1.00 0.00 H new ATOM 0 HA2 GLY A 6 1.819 11.792 1.368 1.00 0.00 H new ATOM 0 HA3 GLY A 6 0.358 11.918 0.408 1.00 0.00 H new ATOM 163 N ALA A 7 2.119 12.327 -1.866 1.00 0.00 N ATOM 164 CA ALA A 7 2.819 11.816 -3.077 1.00 0.00 C ATOM 165 C ALA A 7 4.318 11.711 -2.797 1.00 0.00 C ATOM 166 O ALA A 7 4.966 10.761 -3.188 1.00 0.00 O ATOM 167 CB ALA A 7 2.586 12.777 -4.245 1.00 0.00 C ATOM 0 H ALA A 7 1.638 13.219 -1.985 1.00 0.00 H new ATOM 0 HA ALA A 7 2.428 10.831 -3.332 1.00 0.00 H new ATOM 0 HB1 ALA A 7 3.098 12.403 -5.132 1.00 0.00 H new ATOM 0 HB2 ALA A 7 1.518 12.851 -4.448 1.00 0.00 H new ATOM 0 HB3 ALA A 7 2.976 13.762 -3.989 1.00 0.00 H new ATOM 173 N THR A 8 4.875 12.676 -2.122 1.00 0.00 N ATOM 174 CA THR A 8 6.329 12.627 -1.820 1.00 0.00 C ATOM 175 C THR A 8 6.595 11.583 -0.736 1.00 0.00 C ATOM 176 O THR A 8 7.624 10.936 -0.723 1.00 0.00 O ATOM 177 CB THR A 8 6.789 14.000 -1.334 1.00 0.00 C ATOM 178 OG1 THR A 8 6.208 14.271 -0.065 1.00 0.00 O ATOM 179 CG2 THR A 8 6.355 15.071 -2.336 1.00 0.00 C ATOM 0 H THR A 8 4.385 13.497 -1.767 1.00 0.00 H new ATOM 0 HA THR A 8 6.879 12.355 -2.721 1.00 0.00 H new ATOM 0 HB THR A 8 7.875 14.009 -1.246 1.00 0.00 H new ATOM 0 HG1 THR A 8 5.245 14.091 -0.101 1.00 0.00 H new ATOM 0 HG21 THR A 8 6.684 16.050 -1.988 1.00 0.00 H new ATOM 0 HG22 THR A 8 6.802 14.863 -3.308 1.00 0.00 H new ATOM 0 HG23 THR A 8 5.269 15.065 -2.428 1.00 0.00 H new ATOM 187 N LEU A 9 5.676 11.408 0.176 1.00 0.00 N ATOM 188 CA LEU A 9 5.883 10.404 1.254 1.00 0.00 C ATOM 189 C LEU A 9 6.147 9.039 0.620 1.00 0.00 C ATOM 190 O LEU A 9 7.045 8.318 1.012 1.00 0.00 O ATOM 191 CB LEU A 9 4.623 10.331 2.119 1.00 0.00 C ATOM 192 CG LEU A 9 4.865 9.392 3.301 1.00 0.00 C ATOM 193 CD1 LEU A 9 5.870 10.024 4.267 1.00 0.00 C ATOM 194 CD2 LEU A 9 3.544 9.151 4.033 1.00 0.00 C ATOM 0 H LEU A 9 4.793 11.917 0.219 1.00 0.00 H new ATOM 0 HA LEU A 9 6.734 10.691 1.872 1.00 0.00 H new ATOM 0 HB2 LEU A 9 4.359 11.325 2.480 1.00 0.00 H new ATOM 0 HB3 LEU A 9 3.782 9.974 1.525 1.00 0.00 H new ATOM 0 HG LEU A 9 5.263 8.446 2.935 1.00 0.00 H new ATOM 0 HD11 LEU A 9 6.039 9.351 5.108 1.00 0.00 H new ATOM 0 HD12 LEU A 9 6.812 10.200 3.748 1.00 0.00 H new ATOM 0 HD13 LEU A 9 5.475 10.971 4.634 1.00 0.00 H new ATOM 0 HD21 LEU A 9 3.712 8.482 4.877 1.00 0.00 H new ATOM 0 HD22 LEU A 9 3.151 10.101 4.396 1.00 0.00 H new ATOM 0 HD23 LEU A 9 2.826 8.699 3.349 1.00 0.00 H new ATOM 206 N PHE A 10 5.378 8.689 -0.371 1.00 0.00 N ATOM 207 CA PHE A 10 5.584 7.382 -1.050 1.00 0.00 C ATOM 208 C PHE A 10 6.971 7.360 -1.684 1.00 0.00 C ATOM 209 O PHE A 10 7.697 6.390 -1.591 1.00 0.00 O ATOM 210 CB PHE A 10 4.526 7.208 -2.143 1.00 0.00 C ATOM 211 CG PHE A 10 4.743 5.899 -2.870 1.00 0.00 C ATOM 212 CD1 PHE A 10 5.762 5.789 -3.825 1.00 0.00 C ATOM 213 CD2 PHE A 10 3.918 4.799 -2.601 1.00 0.00 C ATOM 214 CE1 PHE A 10 5.957 4.583 -4.508 1.00 0.00 C ATOM 215 CE2 PHE A 10 4.113 3.591 -3.284 1.00 0.00 C ATOM 216 CZ PHE A 10 5.134 3.484 -4.239 1.00 0.00 C ATOM 0 H PHE A 10 4.613 9.254 -0.741 1.00 0.00 H new ATOM 0 HA PHE A 10 5.498 6.573 -0.325 1.00 0.00 H new ATOM 0 HB2 PHE A 10 3.529 7.228 -1.702 1.00 0.00 H new ATOM 0 HB3 PHE A 10 4.579 8.038 -2.848 1.00 0.00 H new ATOM 0 HD1 PHE A 10 6.398 6.636 -4.035 1.00 0.00 H new ATOM 0 HD2 PHE A 10 3.131 4.882 -1.866 1.00 0.00 H new ATOM 0 HE1 PHE A 10 6.744 4.501 -5.243 1.00 0.00 H new ATOM 0 HE2 PHE A 10 3.477 2.743 -3.075 1.00 0.00 H new ATOM 0 HZ PHE A 10 5.285 2.554 -4.767 1.00 0.00 H new ATOM 226 N LYS A 11 7.334 8.422 -2.343 1.00 0.00 N ATOM 227 CA LYS A 11 8.659 8.479 -3.007 1.00 0.00 C ATOM 228 C LYS A 11 9.787 8.370 -1.978 1.00 0.00 C ATOM 229 O LYS A 11 10.844 7.839 -2.256 1.00 0.00 O ATOM 230 CB LYS A 11 8.789 9.807 -3.753 1.00 0.00 C ATOM 231 CG LYS A 11 7.720 9.890 -4.844 1.00 0.00 C ATOM 232 CD LYS A 11 7.943 11.151 -5.683 1.00 0.00 C ATOM 233 CE LYS A 11 6.808 11.294 -6.699 1.00 0.00 C ATOM 234 NZ LYS A 11 5.587 11.798 -6.009 1.00 0.00 N ATOM 0 H LYS A 11 6.762 9.260 -2.450 1.00 0.00 H new ATOM 0 HA LYS A 11 8.738 7.643 -3.703 1.00 0.00 H new ATOM 0 HB2 LYS A 11 8.678 10.639 -3.057 1.00 0.00 H new ATOM 0 HB3 LYS A 11 9.782 9.891 -4.195 1.00 0.00 H new ATOM 0 HG2 LYS A 11 7.764 9.005 -5.479 1.00 0.00 H new ATOM 0 HG3 LYS A 11 6.727 9.910 -4.394 1.00 0.00 H new ATOM 0 HD2 LYS A 11 7.980 12.028 -5.037 1.00 0.00 H new ATOM 0 HD3 LYS A 11 8.902 11.093 -6.198 1.00 0.00 H new ATOM 0 HE2 LYS A 11 7.100 11.981 -7.493 1.00 0.00 H new ATOM 0 HE3 LYS A 11 6.603 10.332 -7.169 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 4.750 11.597 -6.593 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 5.489 11.325 -5.088 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 5.669 12.825 -5.864 1.00 0.00 H new ATOM 248 N THR A 12 9.588 8.901 -0.805 1.00 0.00 N ATOM 249 CA THR A 12 10.663 8.864 0.222 1.00 0.00 C ATOM 250 C THR A 12 10.574 7.604 1.090 1.00 0.00 C ATOM 251 O THR A 12 11.363 7.433 2.001 1.00 0.00 O ATOM 252 CB THR A 12 10.528 10.098 1.114 1.00 0.00 C ATOM 253 OG1 THR A 12 9.304 10.028 1.832 1.00 0.00 O ATOM 254 CG2 THR A 12 10.544 11.361 0.251 1.00 0.00 C ATOM 0 H THR A 12 8.725 9.360 -0.513 1.00 0.00 H new ATOM 0 HA THR A 12 11.627 8.853 -0.287 1.00 0.00 H new ATOM 0 HB THR A 12 11.361 10.132 1.816 1.00 0.00 H new ATOM 0 HG1 THR A 12 8.722 9.356 1.421 1.00 0.00 H new ATOM 0 HG21 THR A 12 10.448 12.239 0.889 1.00 0.00 H new ATOM 0 HG22 THR A 12 11.483 11.414 -0.299 1.00 0.00 H new ATOM 0 HG23 THR A 12 9.712 11.331 -0.453 1.00 0.00 H new ATOM 262 N ARG A 13 9.632 6.728 0.850 1.00 0.00 N ATOM 263 CA ARG A 13 9.541 5.509 1.714 1.00 0.00 C ATOM 264 C ARG A 13 9.231 4.249 0.896 1.00 0.00 C ATOM 265 O ARG A 13 10.022 3.328 0.844 1.00 0.00 O ATOM 266 CB ARG A 13 8.441 5.711 2.757 1.00 0.00 C ATOM 267 CG ARG A 13 8.838 6.842 3.708 1.00 0.00 C ATOM 268 CD ARG A 13 7.805 6.953 4.831 1.00 0.00 C ATOM 269 NE ARG A 13 8.093 8.161 5.653 1.00 0.00 N ATOM 270 CZ ARG A 13 7.440 8.366 6.766 1.00 0.00 C ATOM 271 NH1 ARG A 13 6.533 7.512 7.155 1.00 0.00 N ATOM 272 NH2 ARG A 13 7.694 9.423 7.487 1.00 0.00 N ATOM 0 H ARG A 13 8.934 6.799 0.109 1.00 0.00 H new ATOM 0 HA ARG A 13 10.509 5.368 2.196 1.00 0.00 H new ATOM 0 HB2 ARG A 13 7.498 5.950 2.265 1.00 0.00 H new ATOM 0 HB3 ARG A 13 8.283 4.789 3.317 1.00 0.00 H new ATOM 0 HG2 ARG A 13 9.826 6.649 4.126 1.00 0.00 H new ATOM 0 HG3 ARG A 13 8.901 7.784 3.163 1.00 0.00 H new ATOM 0 HD2 ARG A 13 6.801 7.017 4.411 1.00 0.00 H new ATOM 0 HD3 ARG A 13 7.833 6.060 5.455 1.00 0.00 H new ATOM 0 HE ARG A 13 8.801 8.829 5.347 1.00 0.00 H new ATOM 0 HH11 ARG A 13 6.335 6.686 6.590 1.00 0.00 H new ATOM 0 HH12 ARG A 13 6.022 7.671 8.024 1.00 0.00 H new ATOM 0 HH21 ARG A 13 8.403 10.090 7.182 1.00 0.00 H new ATOM 0 HH22 ARG A 13 7.184 9.582 8.356 1.00 0.00 H new ATOM 286 N CYS A 14 8.078 4.176 0.291 1.00 0.00 N ATOM 287 CA CYS A 14 7.720 2.946 -0.477 1.00 0.00 C ATOM 288 C CYS A 14 8.645 2.769 -1.686 1.00 0.00 C ATOM 289 O CYS A 14 8.878 1.665 -2.137 1.00 0.00 O ATOM 290 CB CYS A 14 6.269 3.030 -0.951 1.00 0.00 C ATOM 291 SG CYS A 14 5.276 4.051 0.181 1.00 0.00 S ATOM 0 H CYS A 14 7.370 4.910 0.294 1.00 0.00 H new ATOM 0 HA CYS A 14 7.839 2.086 0.182 1.00 0.00 H new ATOM 0 HB2 CYS A 14 6.234 3.453 -1.955 1.00 0.00 H new ATOM 0 HB3 CYS A 14 5.843 2.028 -1.012 1.00 0.00 H new ATOM 296 N LEU A 15 9.169 3.835 -2.221 1.00 0.00 N ATOM 297 CA LEU A 15 10.067 3.702 -3.406 1.00 0.00 C ATOM 298 C LEU A 15 11.210 2.733 -3.093 1.00 0.00 C ATOM 299 O LEU A 15 11.666 2.001 -3.950 1.00 0.00 O ATOM 300 CB LEU A 15 10.644 5.072 -3.765 1.00 0.00 C ATOM 301 CG LEU A 15 11.525 4.956 -5.014 1.00 0.00 C ATOM 302 CD1 LEU A 15 10.658 4.598 -6.223 1.00 0.00 C ATOM 303 CD2 LEU A 15 12.218 6.297 -5.268 1.00 0.00 C ATOM 0 H LEU A 15 9.017 4.789 -1.893 1.00 0.00 H new ATOM 0 HA LEU A 15 9.492 3.314 -4.247 1.00 0.00 H new ATOM 0 HB2 LEU A 15 9.836 5.781 -3.944 1.00 0.00 H new ATOM 0 HB3 LEU A 15 11.229 5.460 -2.931 1.00 0.00 H new ATOM 0 HG LEU A 15 12.272 4.177 -4.861 1.00 0.00 H new ATOM 0 HD11 LEU A 15 11.286 4.516 -7.110 1.00 0.00 H new ATOM 0 HD12 LEU A 15 10.158 3.646 -6.043 1.00 0.00 H new ATOM 0 HD13 LEU A 15 9.911 5.376 -6.378 1.00 0.00 H new ATOM 0 HD21 LEU A 15 12.846 6.220 -6.156 1.00 0.00 H new ATOM 0 HD22 LEU A 15 11.467 7.072 -5.422 1.00 0.00 H new ATOM 0 HD23 LEU A 15 12.836 6.556 -4.408 1.00 0.00 H new ATOM 315 N GLN A 16 11.689 2.730 -1.881 1.00 0.00 N ATOM 316 CA GLN A 16 12.815 1.819 -1.528 1.00 0.00 C ATOM 317 C GLN A 16 12.434 0.360 -1.804 1.00 0.00 C ATOM 318 O GLN A 16 13.251 -0.421 -2.250 1.00 0.00 O ATOM 319 CB GLN A 16 13.150 1.983 -0.044 1.00 0.00 C ATOM 320 CG GLN A 16 13.668 3.400 0.210 1.00 0.00 C ATOM 321 CD GLN A 16 13.955 3.580 1.702 1.00 0.00 C ATOM 322 OE1 GLN A 16 13.499 2.803 2.518 1.00 0.00 O ATOM 323 NE2 GLN A 16 14.696 4.579 2.095 1.00 0.00 N ATOM 0 H GLN A 16 11.351 3.318 -1.119 1.00 0.00 H new ATOM 0 HA GLN A 16 13.681 2.077 -2.138 1.00 0.00 H new ATOM 0 HB2 GLN A 16 12.264 1.794 0.562 1.00 0.00 H new ATOM 0 HB3 GLN A 16 13.901 1.251 0.253 1.00 0.00 H new ATOM 0 HG2 GLN A 16 14.574 3.576 -0.369 1.00 0.00 H new ATOM 0 HG3 GLN A 16 12.931 4.132 -0.120 1.00 0.00 H new ATOM 0 HE21 GLN A 16 15.078 5.231 1.410 1.00 0.00 H new ATOM 0 HE22 GLN A 16 14.893 4.708 3.087 1.00 0.00 H new ATOM 332 N CYS A 17 11.211 -0.020 -1.537 1.00 0.00 N ATOM 333 CA CYS A 17 10.799 -1.438 -1.779 1.00 0.00 C ATOM 334 C CYS A 17 9.799 -1.516 -2.936 1.00 0.00 C ATOM 335 O CYS A 17 9.909 -2.361 -3.802 1.00 0.00 O ATOM 336 CB CYS A 17 10.154 -2.004 -0.513 1.00 0.00 C ATOM 337 SG CYS A 17 11.363 -2.010 0.844 1.00 0.00 S ATOM 0 H CYS A 17 10.481 0.587 -1.163 1.00 0.00 H new ATOM 0 HA CYS A 17 11.683 -2.020 -2.038 1.00 0.00 H new ATOM 0 HB2 CYS A 17 9.286 -1.405 -0.237 1.00 0.00 H new ATOM 0 HB3 CYS A 17 9.796 -3.017 -0.698 1.00 0.00 H new ATOM 342 N HIS A 18 8.820 -0.658 -2.953 1.00 0.00 N ATOM 343 CA HIS A 18 7.813 -0.707 -4.055 1.00 0.00 C ATOM 344 C HIS A 18 8.186 0.271 -5.161 1.00 0.00 C ATOM 345 O HIS A 18 8.809 1.284 -4.931 1.00 0.00 O ATOM 346 CB HIS A 18 6.435 -0.297 -3.537 1.00 0.00 C ATOM 347 CG HIS A 18 5.966 -1.232 -2.464 1.00 0.00 C ATOM 348 ND1 HIS A 18 5.455 -2.496 -2.742 1.00 0.00 N ATOM 349 CD2 HIS A 18 5.868 -1.074 -1.111 1.00 0.00 C ATOM 350 CE1 HIS A 18 5.066 -3.038 -1.569 1.00 0.00 C ATOM 351 NE2 HIS A 18 5.298 -2.205 -0.555 1.00 0.00 N ATOM 0 H HIS A 18 8.671 0.073 -2.257 1.00 0.00 H new ATOM 0 HA HIS A 18 7.794 -1.729 -4.435 1.00 0.00 H new ATOM 0 HB2 HIS A 18 6.477 0.720 -3.146 1.00 0.00 H new ATOM 0 HB3 HIS A 18 5.720 -0.293 -4.359 1.00 0.00 H new ATOM 0 HD1 HIS A 18 5.387 -2.932 -3.662 1.00 0.00 H new ATOM 0 HD2 HIS A 18 6.186 -0.201 -0.560 1.00 0.00 H new ATOM 0 HE1 HIS A 18 4.625 -4.018 -1.466 1.00 0.00 H new ATOM 359 N THR A 19 7.771 -0.018 -6.360 1.00 0.00 N ATOM 360 CA THR A 19 8.050 0.898 -7.497 1.00 0.00 C ATOM 361 C THR A 19 6.716 1.250 -8.158 1.00 0.00 C ATOM 362 O THR A 19 5.924 0.384 -8.470 1.00 0.00 O ATOM 363 CB THR A 19 8.948 0.203 -8.512 1.00 0.00 C ATOM 364 OG1 THR A 19 10.072 -0.358 -7.847 1.00 0.00 O ATOM 365 CG2 THR A 19 9.422 1.214 -9.557 1.00 0.00 C ATOM 0 H THR A 19 7.245 -0.858 -6.603 1.00 0.00 H new ATOM 0 HA THR A 19 8.552 1.798 -7.141 1.00 0.00 H new ATOM 0 HB THR A 19 8.387 -0.590 -9.007 1.00 0.00 H new ATOM 0 HG1 THR A 19 10.895 0.034 -8.207 1.00 0.00 H new ATOM 0 HG21 THR A 19 10.064 0.714 -10.282 1.00 0.00 H new ATOM 0 HG22 THR A 19 8.559 1.639 -10.069 1.00 0.00 H new ATOM 0 HG23 THR A 19 9.981 2.010 -9.066 1.00 0.00 H new ATOM 373 N VAL A 20 6.453 2.508 -8.371 1.00 0.00 N ATOM 374 CA VAL A 20 5.163 2.891 -9.007 1.00 0.00 C ATOM 375 C VAL A 20 5.227 2.599 -10.508 1.00 0.00 C ATOM 376 O VAL A 20 4.219 2.547 -11.184 1.00 0.00 O ATOM 377 CB VAL A 20 4.901 4.378 -8.781 1.00 0.00 C ATOM 378 CG1 VAL A 20 4.891 4.665 -7.281 1.00 0.00 C ATOM 379 CG2 VAL A 20 6.005 5.196 -9.445 1.00 0.00 C ATOM 0 H VAL A 20 7.071 3.284 -8.134 1.00 0.00 H new ATOM 0 HA VAL A 20 4.353 2.313 -8.562 1.00 0.00 H new ATOM 0 HB VAL A 20 3.938 4.649 -9.214 1.00 0.00 H new ATOM 0 HG11 VAL A 20 4.704 5.726 -7.115 1.00 0.00 H new ATOM 0 HG12 VAL A 20 4.105 4.079 -6.804 1.00 0.00 H new ATOM 0 HG13 VAL A 20 5.856 4.395 -6.852 1.00 0.00 H new ATOM 0 HG21 VAL A 20 5.818 6.258 -9.284 1.00 0.00 H new ATOM 0 HG22 VAL A 20 6.968 4.927 -9.011 1.00 0.00 H new ATOM 0 HG23 VAL A 20 6.018 4.988 -10.515 1.00 0.00 H new ATOM 389 N GLU A 21 6.405 2.406 -11.032 1.00 0.00 N ATOM 390 CA GLU A 21 6.535 2.116 -12.487 1.00 0.00 C ATOM 391 C GLU A 21 6.104 0.674 -12.759 1.00 0.00 C ATOM 392 O GLU A 21 6.356 -0.219 -11.973 1.00 0.00 O ATOM 393 CB GLU A 21 7.993 2.303 -12.917 1.00 0.00 C ATOM 394 CG GLU A 21 8.101 2.149 -14.435 1.00 0.00 C ATOM 395 CD GLU A 21 9.570 2.234 -14.853 1.00 0.00 C ATOM 396 OE1 GLU A 21 10.407 2.375 -13.977 1.00 0.00 O ATOM 397 OE2 GLU A 21 9.833 2.158 -16.041 1.00 0.00 O ATOM 0 H GLU A 21 7.284 2.437 -10.515 1.00 0.00 H new ATOM 0 HA GLU A 21 5.900 2.798 -13.052 1.00 0.00 H new ATOM 0 HB2 GLU A 21 8.349 3.288 -12.614 1.00 0.00 H new ATOM 0 HB3 GLU A 21 8.627 1.568 -12.420 1.00 0.00 H new ATOM 0 HG2 GLU A 21 7.678 1.193 -14.745 1.00 0.00 H new ATOM 0 HG3 GLU A 21 7.525 2.929 -14.932 1.00 0.00 H new ATOM 404 N LYS A 22 5.452 0.439 -13.864 1.00 0.00 N ATOM 405 CA LYS A 22 4.999 -0.943 -14.186 1.00 0.00 C ATOM 406 C LYS A 22 6.217 -1.839 -14.421 1.00 0.00 C ATOM 407 O LYS A 22 7.163 -1.457 -15.082 1.00 0.00 O ATOM 408 CB LYS A 22 4.139 -0.910 -15.451 1.00 0.00 C ATOM 409 CG LYS A 22 3.492 -2.279 -15.671 1.00 0.00 C ATOM 410 CD LYS A 22 2.686 -2.258 -16.970 1.00 0.00 C ATOM 411 CE LYS A 22 1.885 -3.555 -17.097 1.00 0.00 C ATOM 412 NZ LYS A 22 1.277 -3.633 -18.455 1.00 0.00 N ATOM 0 H LYS A 22 5.213 1.146 -14.559 1.00 0.00 H new ATOM 0 HA LYS A 22 4.414 -1.338 -13.355 1.00 0.00 H new ATOM 0 HB2 LYS A 22 3.369 -0.144 -15.359 1.00 0.00 H new ATOM 0 HB3 LYS A 22 4.752 -0.644 -16.312 1.00 0.00 H new ATOM 0 HG2 LYS A 22 4.259 -3.052 -15.719 1.00 0.00 H new ATOM 0 HG3 LYS A 22 2.842 -2.525 -14.831 1.00 0.00 H new ATOM 0 HD2 LYS A 22 2.013 -1.401 -16.979 1.00 0.00 H new ATOM 0 HD3 LYS A 22 3.355 -2.147 -17.823 1.00 0.00 H new ATOM 0 HE2 LYS A 22 2.534 -4.414 -16.928 1.00 0.00 H new ATOM 0 HE3 LYS A 22 1.106 -3.590 -16.336 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 0.732 -4.515 -18.541 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 0.645 -2.820 -18.600 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 2.029 -3.619 -19.173 1.00 0.00 H new ATOM 426 N GLY A 23 6.204 -3.030 -13.885 1.00 0.00 N ATOM 427 CA GLY A 23 7.363 -3.947 -14.079 1.00 0.00 C ATOM 428 C GLY A 23 8.501 -3.540 -13.142 1.00 0.00 C ATOM 429 O GLY A 23 9.651 -3.497 -13.529 1.00 0.00 O ATOM 0 H GLY A 23 5.442 -3.407 -13.322 1.00 0.00 H new ATOM 0 HA2 GLY A 23 7.063 -4.976 -13.878 1.00 0.00 H new ATOM 0 HA3 GLY A 23 7.700 -3.909 -15.115 1.00 0.00 H new ATOM 433 N GLY A 24 8.189 -3.239 -11.913 1.00 0.00 N ATOM 434 CA GLY A 24 9.252 -2.830 -10.952 1.00 0.00 C ATOM 435 C GLY A 24 10.271 -3.968 -10.802 1.00 0.00 C ATOM 436 O GLY A 24 9.949 -5.124 -10.987 1.00 0.00 O ATOM 0 H GLY A 24 7.243 -3.258 -11.531 1.00 0.00 H new ATOM 0 HA2 GLY A 24 9.749 -1.927 -11.306 1.00 0.00 H new ATOM 0 HA3 GLY A 24 8.811 -2.593 -9.984 1.00 0.00 H new ATOM 440 N PRO A 25 11.496 -3.638 -10.476 1.00 0.00 N ATOM 441 CA PRO A 25 12.589 -4.644 -10.309 1.00 0.00 C ATOM 442 C PRO A 25 12.400 -5.543 -9.079 1.00 0.00 C ATOM 443 O PRO A 25 13.024 -6.578 -8.963 1.00 0.00 O ATOM 444 CB PRO A 25 13.853 -3.794 -10.152 1.00 0.00 C ATOM 445 CG PRO A 25 13.381 -2.464 -9.667 1.00 0.00 C ATOM 446 CD PRO A 25 11.975 -2.268 -10.231 1.00 0.00 C ATOM 0 HA PRO A 25 12.620 -5.330 -11.155 1.00 0.00 H new ATOM 0 HB2 PRO A 25 14.545 -4.247 -9.443 1.00 0.00 H new ATOM 0 HB3 PRO A 25 14.383 -3.701 -11.100 1.00 0.00 H new ATOM 0 HG2 PRO A 25 13.370 -2.431 -8.578 1.00 0.00 H new ATOM 0 HG3 PRO A 25 14.048 -1.670 -10.003 1.00 0.00 H new ATOM 0 HD2 PRO A 25 11.332 -1.740 -9.526 1.00 0.00 H new ATOM 0 HD3 PRO A 25 11.991 -1.681 -11.149 1.00 0.00 H new ATOM 454 N HIS A 26 11.561 -5.154 -8.155 1.00 0.00 N ATOM 455 CA HIS A 26 11.360 -5.992 -6.935 1.00 0.00 C ATOM 456 C HIS A 26 12.710 -6.202 -6.244 1.00 0.00 C ATOM 457 O HIS A 26 13.021 -7.286 -5.791 1.00 0.00 O ATOM 458 CB HIS A 26 10.782 -7.357 -7.323 1.00 0.00 C ATOM 459 CG HIS A 26 9.538 -7.181 -8.140 1.00 0.00 C ATOM 460 ND1 HIS A 26 8.380 -6.616 -7.625 1.00 0.00 N ATOM 461 CD2 HIS A 26 9.253 -7.514 -9.434 1.00 0.00 C ATOM 462 CE1 HIS A 26 7.456 -6.630 -8.605 1.00 0.00 C ATOM 463 NE2 HIS A 26 7.941 -7.165 -9.726 1.00 0.00 N ATOM 0 H HIS A 26 11.009 -4.297 -8.191 1.00 0.00 H new ATOM 0 HA HIS A 26 10.667 -5.485 -6.264 1.00 0.00 H new ATOM 0 HB2 HIS A 26 11.520 -7.925 -7.890 1.00 0.00 H new ATOM 0 HB3 HIS A 26 10.557 -7.933 -6.425 1.00 0.00 H new ATOM 0 HD1 HIS A 26 8.252 -6.256 -6.679 1.00 0.00 H new ATOM 0 HD2 HIS A 26 9.942 -7.978 -10.124 1.00 0.00 H new ATOM 0 HE1 HIS A 26 6.449 -6.255 -8.496 1.00 0.00 H new ATOM 472 N LYS A 27 13.522 -5.183 -6.173 1.00 0.00 N ATOM 473 CA LYS A 27 14.857 -5.339 -5.528 1.00 0.00 C ATOM 474 C LYS A 27 14.695 -5.842 -4.091 1.00 0.00 C ATOM 475 O LYS A 27 15.353 -6.775 -3.675 1.00 0.00 O ATOM 476 CB LYS A 27 15.571 -3.985 -5.512 1.00 0.00 C ATOM 477 CG LYS A 27 16.984 -4.158 -4.954 1.00 0.00 C ATOM 478 CD LYS A 27 17.672 -2.794 -4.878 1.00 0.00 C ATOM 479 CE LYS A 27 19.135 -2.982 -4.474 1.00 0.00 C ATOM 480 NZ LYS A 27 19.603 -1.777 -3.733 1.00 0.00 N ATOM 0 H LYS A 27 13.319 -4.250 -6.533 1.00 0.00 H new ATOM 0 HA LYS A 27 15.443 -6.063 -6.094 1.00 0.00 H new ATOM 0 HB2 LYS A 27 15.615 -3.574 -6.520 1.00 0.00 H new ATOM 0 HB3 LYS A 27 15.012 -3.275 -4.902 1.00 0.00 H new ATOM 0 HG2 LYS A 27 16.943 -4.612 -3.964 1.00 0.00 H new ATOM 0 HG3 LYS A 27 17.558 -4.832 -5.590 1.00 0.00 H new ATOM 0 HD2 LYS A 27 17.612 -2.290 -5.843 1.00 0.00 H new ATOM 0 HD3 LYS A 27 17.163 -2.158 -4.154 1.00 0.00 H new ATOM 0 HE2 LYS A 27 19.240 -3.870 -3.850 1.00 0.00 H new ATOM 0 HE3 LYS A 27 19.751 -3.140 -5.359 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 20.598 -1.903 -3.458 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 19.516 -0.939 -4.343 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 19.022 -1.646 -2.881 1.00 0.00 H new ATOM 494 N VAL A 28 13.827 -5.238 -3.327 1.00 0.00 N ATOM 495 CA VAL A 28 13.634 -5.692 -1.921 1.00 0.00 C ATOM 496 C VAL A 28 12.413 -6.610 -1.841 1.00 0.00 C ATOM 497 O VAL A 28 12.532 -7.804 -1.648 1.00 0.00 O ATOM 498 CB VAL A 28 13.417 -4.482 -1.018 1.00 0.00 C ATOM 499 CG1 VAL A 28 13.384 -4.933 0.444 1.00 0.00 C ATOM 500 CG2 VAL A 28 14.558 -3.483 -1.219 1.00 0.00 C ATOM 0 H VAL A 28 13.244 -4.452 -3.615 1.00 0.00 H new ATOM 0 HA VAL A 28 14.520 -6.236 -1.594 1.00 0.00 H new ATOM 0 HB VAL A 28 12.470 -4.006 -1.272 1.00 0.00 H new ATOM 0 HG11 VAL A 28 13.229 -4.068 1.088 1.00 0.00 H new ATOM 0 HG12 VAL A 28 12.569 -5.643 0.587 1.00 0.00 H new ATOM 0 HG13 VAL A 28 14.330 -5.410 0.699 1.00 0.00 H new ATOM 0 HG21 VAL A 28 14.403 -2.618 -0.574 1.00 0.00 H new ATOM 0 HG22 VAL A 28 15.506 -3.958 -0.967 1.00 0.00 H new ATOM 0 HG23 VAL A 28 14.579 -3.160 -2.260 1.00 0.00 H new ATOM 510 N GLY A 29 11.242 -6.054 -1.988 1.00 0.00 N ATOM 511 CA GLY A 29 10.000 -6.875 -1.923 1.00 0.00 C ATOM 512 C GLY A 29 9.189 -6.660 -3.199 1.00 0.00 C ATOM 513 O GLY A 29 9.527 -5.832 -4.022 1.00 0.00 O ATOM 0 H GLY A 29 11.091 -5.059 -2.152 1.00 0.00 H new ATOM 0 HA2 GLY A 29 10.252 -7.930 -1.811 1.00 0.00 H new ATOM 0 HA3 GLY A 29 9.409 -6.594 -1.051 1.00 0.00 H new ATOM 517 N PRO A 30 8.124 -7.395 -3.362 1.00 0.00 N ATOM 518 CA PRO A 30 7.257 -7.270 -4.559 1.00 0.00 C ATOM 519 C PRO A 30 6.843 -5.817 -4.790 1.00 0.00 C ATOM 520 O PRO A 30 6.662 -5.061 -3.857 1.00 0.00 O ATOM 521 CB PRO A 30 6.030 -8.131 -4.246 1.00 0.00 C ATOM 522 CG PRO A 30 6.403 -9.011 -3.094 1.00 0.00 C ATOM 523 CD PRO A 30 7.641 -8.413 -2.421 1.00 0.00 C ATOM 0 HA PRO A 30 7.771 -7.590 -5.465 1.00 0.00 H new ATOM 0 HB2 PRO A 30 5.173 -7.506 -3.994 1.00 0.00 H new ATOM 0 HB3 PRO A 30 5.745 -8.728 -5.112 1.00 0.00 H new ATOM 0 HG2 PRO A 30 5.579 -9.078 -2.384 1.00 0.00 H new ATOM 0 HG3 PRO A 30 6.609 -10.024 -3.440 1.00 0.00 H new ATOM 0 HD2 PRO A 30 7.393 -7.973 -1.455 1.00 0.00 H new ATOM 0 HD3 PRO A 30 8.399 -9.175 -2.239 1.00 0.00 H new ATOM 531 N ASN A 31 6.706 -5.413 -6.021 1.00 0.00 N ATOM 532 CA ASN A 31 6.320 -4.002 -6.289 1.00 0.00 C ATOM 533 C ASN A 31 4.810 -3.918 -6.508 1.00 0.00 C ATOM 534 O ASN A 31 4.232 -4.681 -7.257 1.00 0.00 O ATOM 535 CB ASN A 31 7.063 -3.500 -7.525 1.00 0.00 C ATOM 536 CG ASN A 31 8.560 -3.752 -7.336 1.00 0.00 C ATOM 537 OD1 ASN A 31 9.263 -4.056 -8.279 1.00 0.00 O ATOM 538 ND2 ASN A 31 9.079 -3.647 -6.143 1.00 0.00 N ATOM 0 H ASN A 31 6.844 -5.995 -6.848 1.00 0.00 H new ATOM 0 HA ASN A 31 6.587 -3.378 -5.436 1.00 0.00 H new ATOM 0 HB2 ASN A 31 6.703 -4.014 -8.416 1.00 0.00 H new ATOM 0 HB3 ASN A 31 6.875 -2.437 -7.673 1.00 0.00 H new ATOM 0 HD21 ASN A 31 10.074 -3.820 -6.003 1.00 0.00 H new ATOM 0 HD22 ASN A 31 8.489 -3.392 -5.351 1.00 0.00 H new ATOM 545 N LEU A 32 4.169 -3.004 -5.838 1.00 0.00 N ATOM 546 CA LEU A 32 2.693 -2.865 -5.973 1.00 0.00 C ATOM 547 C LEU A 32 2.347 -2.162 -7.289 1.00 0.00 C ATOM 548 O LEU A 32 2.757 -2.578 -8.354 1.00 0.00 O ATOM 549 CB LEU A 32 2.167 -2.030 -4.805 1.00 0.00 C ATOM 550 CG LEU A 32 0.658 -2.231 -4.671 1.00 0.00 C ATOM 551 CD1 LEU A 32 0.364 -3.674 -4.248 1.00 0.00 C ATOM 552 CD2 LEU A 32 0.103 -1.273 -3.613 1.00 0.00 C ATOM 0 H LEU A 32 4.607 -2.342 -5.198 1.00 0.00 H new ATOM 0 HA LEU A 32 2.236 -3.854 -5.968 1.00 0.00 H new ATOM 0 HB2 LEU A 32 2.667 -2.322 -3.881 1.00 0.00 H new ATOM 0 HB3 LEU A 32 2.391 -0.976 -4.968 1.00 0.00 H new ATOM 0 HG LEU A 32 0.185 -2.029 -5.632 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -0.713 -3.813 -4.154 1.00 0.00 H new ATOM 0 HD12 LEU A 32 0.754 -4.360 -5.000 1.00 0.00 H new ATOM 0 HD13 LEU A 32 0.841 -3.877 -3.289 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -0.973 -1.418 -3.519 1.00 0.00 H new ATOM 0 HD22 LEU A 32 0.581 -1.473 -2.654 1.00 0.00 H new ATOM 0 HD23 LEU A 32 0.306 -0.244 -3.911 1.00 0.00 H new ATOM 564 N HIS A 33 1.586 -1.101 -7.214 1.00 0.00 N ATOM 565 CA HIS A 33 1.196 -0.361 -8.446 1.00 0.00 C ATOM 566 C HIS A 33 0.310 -1.250 -9.320 1.00 0.00 C ATOM 567 O HIS A 33 0.577 -1.445 -10.489 1.00 0.00 O ATOM 568 CB HIS A 33 2.450 0.036 -9.227 1.00 0.00 C ATOM 569 CG HIS A 33 2.120 1.165 -10.164 1.00 0.00 C ATOM 570 ND1 HIS A 33 1.807 2.438 -9.707 1.00 0.00 N ATOM 571 CD2 HIS A 33 2.051 1.230 -11.535 1.00 0.00 C ATOM 572 CE1 HIS A 33 1.564 3.208 -10.785 1.00 0.00 C ATOM 573 NE2 HIS A 33 1.699 2.519 -11.919 1.00 0.00 N ATOM 0 H HIS A 33 1.217 -0.715 -6.345 1.00 0.00 H new ATOM 0 HA HIS A 33 0.645 0.537 -8.167 1.00 0.00 H new ATOM 0 HB2 HIS A 33 3.239 0.339 -8.539 1.00 0.00 H new ATOM 0 HB3 HIS A 33 2.827 -0.819 -9.789 1.00 0.00 H new ATOM 0 HD2 HIS A 33 2.241 0.408 -12.209 1.00 0.00 H new ATOM 0 HE1 HIS A 33 1.294 4.253 -10.737 1.00 0.00 H new ATOM 0 HE2 HIS A 33 1.571 2.866 -12.870 1.00 0.00 H new ATOM 582 N GLY A 34 -0.743 -1.793 -8.769 1.00 0.00 N ATOM 583 CA GLY A 34 -1.632 -2.664 -9.589 1.00 0.00 C ATOM 584 C GLY A 34 -2.701 -3.324 -8.711 1.00 0.00 C ATOM 585 O GLY A 34 -3.099 -4.446 -8.955 1.00 0.00 O ATOM 0 H GLY A 34 -1.024 -1.672 -7.796 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -2.110 -2.072 -10.370 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -1.039 -3.431 -10.088 1.00 0.00 H new ATOM 589 N ILE A 35 -3.181 -2.643 -7.699 1.00 0.00 N ATOM 590 CA ILE A 35 -4.234 -3.250 -6.834 1.00 0.00 C ATOM 591 C ILE A 35 -5.344 -2.228 -6.571 1.00 0.00 C ATOM 592 O ILE A 35 -5.984 -1.752 -7.488 1.00 0.00 O ATOM 593 CB ILE A 35 -3.633 -3.723 -5.505 1.00 0.00 C ATOM 594 CG1 ILE A 35 -2.922 -2.566 -4.802 1.00 0.00 C ATOM 595 CG2 ILE A 35 -2.618 -4.833 -5.778 1.00 0.00 C ATOM 596 CD1 ILE A 35 -3.118 -2.685 -3.289 1.00 0.00 C ATOM 0 H ILE A 35 -2.891 -1.701 -7.438 1.00 0.00 H new ATOM 0 HA ILE A 35 -4.654 -4.113 -7.351 1.00 0.00 H new ATOM 0 HB ILE A 35 -4.436 -4.092 -4.867 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -1.859 -2.579 -5.043 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -3.318 -1.614 -5.156 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -2.188 -5.173 -4.836 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -3.116 -5.668 -6.271 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -1.826 -4.451 -6.422 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -2.610 -1.859 -2.790 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -4.182 -2.650 -3.056 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -2.701 -3.630 -2.941 1.00 0.00 H new ATOM 608 N PHE A 36 -5.596 -1.900 -5.329 1.00 0.00 N ATOM 609 CA PHE A 36 -6.682 -0.925 -5.021 1.00 0.00 C ATOM 610 C PHE A 36 -7.998 -1.444 -5.608 1.00 0.00 C ATOM 611 O PHE A 36 -9.032 -0.818 -5.498 1.00 0.00 O ATOM 612 CB PHE A 36 -6.347 0.441 -5.632 1.00 0.00 C ATOM 613 CG PHE A 36 -5.525 1.262 -4.662 1.00 0.00 C ATOM 614 CD1 PHE A 36 -6.164 2.059 -3.704 1.00 0.00 C ATOM 615 CD2 PHE A 36 -4.124 1.245 -4.732 1.00 0.00 C ATOM 616 CE1 PHE A 36 -5.410 2.838 -2.820 1.00 0.00 C ATOM 617 CE2 PHE A 36 -3.370 2.021 -3.843 1.00 0.00 C ATOM 618 CZ PHE A 36 -4.013 2.817 -2.888 1.00 0.00 C ATOM 0 H PHE A 36 -5.097 -2.265 -4.518 1.00 0.00 H new ATOM 0 HA PHE A 36 -6.777 -0.814 -3.941 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -5.796 0.306 -6.563 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -7.266 0.971 -5.880 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -7.242 2.072 -3.648 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -3.627 0.634 -5.471 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -5.906 3.455 -2.086 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -2.291 2.005 -3.894 1.00 0.00 H new ATOM 0 HZ PHE A 36 -3.430 3.415 -2.203 1.00 0.00 H new ATOM 628 N GLY A 37 -7.959 -2.594 -6.230 1.00 0.00 N ATOM 629 CA GLY A 37 -9.195 -3.176 -6.827 1.00 0.00 C ATOM 630 C GLY A 37 -8.942 -4.645 -7.177 1.00 0.00 C ATOM 631 O GLY A 37 -9.638 -5.232 -7.983 1.00 0.00 O ATOM 0 H GLY A 37 -7.117 -3.158 -6.350 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -10.025 -3.095 -6.125 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -9.478 -2.620 -7.721 1.00 0.00 H new ATOM 635 N ARG A 38 -7.946 -5.239 -6.576 1.00 0.00 N ATOM 636 CA ARG A 38 -7.630 -6.669 -6.860 1.00 0.00 C ATOM 637 C ARG A 38 -7.543 -7.440 -5.546 1.00 0.00 C ATOM 638 O ARG A 38 -7.526 -6.864 -4.476 1.00 0.00 O ATOM 639 CB ARG A 38 -6.284 -6.768 -7.585 1.00 0.00 C ATOM 640 CG ARG A 38 -6.415 -6.247 -9.019 1.00 0.00 C ATOM 641 CD ARG A 38 -7.007 -7.341 -9.916 1.00 0.00 C ATOM 642 NE ARG A 38 -6.925 -6.910 -11.340 1.00 0.00 N ATOM 643 CZ ARG A 38 -7.054 -7.789 -12.296 1.00 0.00 C ATOM 644 NH1 ARG A 38 -7.256 -9.045 -12.005 1.00 0.00 N ATOM 645 NH2 ARG A 38 -6.980 -7.412 -13.544 1.00 0.00 N ATOM 0 H ARG A 38 -7.333 -4.791 -5.895 1.00 0.00 H new ATOM 0 HA ARG A 38 -8.415 -7.091 -7.487 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -5.531 -6.191 -7.048 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -5.944 -7.804 -7.596 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -7.053 -5.363 -9.038 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -5.438 -5.943 -9.396 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -6.464 -8.276 -9.775 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -8.045 -7.531 -9.641 1.00 0.00 H new ATOM 0 HE ARG A 38 -6.768 -5.928 -11.568 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -7.313 -9.340 -11.030 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -7.357 -9.732 -12.752 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -6.821 -6.430 -13.772 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -7.081 -8.099 -14.291 1.00 0.00 H new ATOM 659 N HIS A 39 -7.482 -8.740 -5.617 1.00 0.00 N ATOM 660 CA HIS A 39 -7.390 -9.544 -4.371 1.00 0.00 C ATOM 661 C HIS A 39 -5.931 -9.644 -3.942 1.00 0.00 C ATOM 662 O HIS A 39 -5.041 -9.808 -4.753 1.00 0.00 O ATOM 663 CB HIS A 39 -7.955 -10.941 -4.617 1.00 0.00 C ATOM 664 CG HIS A 39 -9.455 -10.888 -4.506 1.00 0.00 C ATOM 665 ND1 HIS A 39 -10.227 -10.133 -5.374 1.00 0.00 N ATOM 666 CD2 HIS A 39 -10.339 -11.485 -3.641 1.00 0.00 C ATOM 667 CE1 HIS A 39 -11.514 -10.294 -5.021 1.00 0.00 C ATOM 668 NE2 HIS A 39 -11.636 -11.108 -3.972 1.00 0.00 N ATOM 0 H HIS A 39 -7.492 -9.278 -6.483 1.00 0.00 H new ATOM 0 HA HIS A 39 -7.967 -9.061 -3.582 1.00 0.00 H new ATOM 0 HB2 HIS A 39 -7.663 -11.297 -5.605 1.00 0.00 H new ATOM 0 HB3 HIS A 39 -7.548 -11.645 -3.891 1.00 0.00 H new ATOM 0 HD2 HIS A 39 -10.069 -12.145 -2.830 1.00 0.00 H new ATOM 0 HE1 HIS A 39 -12.345 -9.823 -5.524 1.00 0.00 H new ATOM 0 HE2 HIS A 39 -12.499 -11.394 -3.510 1.00 0.00 H new ATOM 677 N SER A 40 -5.681 -9.534 -2.671 1.00 0.00 N ATOM 678 CA SER A 40 -4.282 -9.607 -2.179 1.00 0.00 C ATOM 679 C SER A 40 -3.590 -10.832 -2.765 1.00 0.00 C ATOM 680 O SER A 40 -4.136 -11.914 -2.789 1.00 0.00 O ATOM 681 CB SER A 40 -4.285 -9.726 -0.658 1.00 0.00 C ATOM 682 OG SER A 40 -3.358 -8.795 -0.113 1.00 0.00 O ATOM 0 H SER A 40 -6.388 -9.396 -1.949 1.00 0.00 H new ATOM 0 HA SER A 40 -3.751 -8.705 -2.484 1.00 0.00 H new ATOM 0 HB2 SER A 40 -5.284 -9.532 -0.268 1.00 0.00 H new ATOM 0 HB3 SER A 40 -4.018 -10.740 -0.360 1.00 0.00 H new ATOM 0 HG SER A 40 -3.781 -7.914 -0.044 1.00 0.00 H new ATOM 688 N GLY A 41 -2.385 -10.667 -3.221 1.00 0.00 N ATOM 689 CA GLY A 41 -1.639 -11.822 -3.792 1.00 0.00 C ATOM 690 C GLY A 41 -1.530 -11.692 -5.309 1.00 0.00 C ATOM 691 O GLY A 41 -0.772 -12.397 -5.944 1.00 0.00 O ATOM 0 H GLY A 41 -1.881 -9.780 -3.224 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -0.643 -11.872 -3.353 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -2.146 -12.752 -3.537 1.00 0.00 H new ATOM 695 N GLN A 42 -2.276 -10.803 -5.903 1.00 0.00 N ATOM 696 CA GLN A 42 -2.194 -10.652 -7.381 1.00 0.00 C ATOM 697 C GLN A 42 -1.277 -9.480 -7.738 1.00 0.00 C ATOM 698 O GLN A 42 -1.550 -8.340 -7.416 1.00 0.00 O ATOM 699 CB GLN A 42 -3.595 -10.408 -7.938 1.00 0.00 C ATOM 700 CG GLN A 42 -4.445 -11.653 -7.686 1.00 0.00 C ATOM 701 CD GLN A 42 -5.869 -11.416 -8.190 1.00 0.00 C ATOM 702 OE1 GLN A 42 -6.260 -10.291 -8.435 1.00 0.00 O ATOM 703 NE2 GLN A 42 -6.667 -12.434 -8.355 1.00 0.00 N ATOM 0 H GLN A 42 -2.933 -10.180 -5.434 1.00 0.00 H new ATOM 0 HA GLN A 42 -1.782 -11.562 -7.817 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -4.046 -9.539 -7.459 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -3.545 -10.194 -9.006 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -4.008 -12.513 -8.194 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -4.460 -11.885 -6.621 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -6.339 -13.378 -8.149 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -7.619 -12.287 -8.690 1.00 0.00 H new ATOM 712 N ALA A 43 -0.194 -9.756 -8.414 1.00 0.00 N ATOM 713 CA ALA A 43 0.743 -8.669 -8.809 1.00 0.00 C ATOM 714 C ALA A 43 1.410 -9.039 -10.136 1.00 0.00 C ATOM 715 O ALA A 43 1.892 -10.141 -10.315 1.00 0.00 O ATOM 716 CB ALA A 43 1.815 -8.493 -7.730 1.00 0.00 C ATOM 0 H ALA A 43 0.082 -10.692 -8.710 1.00 0.00 H new ATOM 0 HA ALA A 43 0.191 -7.736 -8.921 1.00 0.00 H new ATOM 0 HB1 ALA A 43 2.499 -7.696 -8.023 1.00 0.00 H new ATOM 0 HB2 ALA A 43 1.340 -8.234 -6.784 1.00 0.00 H new ATOM 0 HB3 ALA A 43 2.371 -9.424 -7.614 1.00 0.00 H new ATOM 722 N GLU A 44 1.439 -8.129 -11.068 1.00 0.00 N ATOM 723 CA GLU A 44 2.070 -8.422 -12.385 1.00 0.00 C ATOM 724 C GLU A 44 3.589 -8.415 -12.237 1.00 0.00 C ATOM 725 O GLU A 44 4.281 -9.250 -12.787 1.00 0.00 O ATOM 726 CB GLU A 44 1.652 -7.356 -13.400 1.00 0.00 C ATOM 727 CG GLU A 44 2.188 -7.732 -14.783 1.00 0.00 C ATOM 728 CD GLU A 44 1.855 -6.619 -15.778 1.00 0.00 C ATOM 729 OE1 GLU A 44 1.267 -5.636 -15.360 1.00 0.00 O ATOM 730 OE2 GLU A 44 2.195 -6.769 -16.940 1.00 0.00 O ATOM 0 H GLU A 44 1.051 -7.190 -10.974 1.00 0.00 H new ATOM 0 HA GLU A 44 1.744 -9.403 -12.732 1.00 0.00 H new ATOM 0 HB2 GLU A 44 0.566 -7.272 -13.429 1.00 0.00 H new ATOM 0 HB3 GLU A 44 2.039 -6.382 -13.101 1.00 0.00 H new ATOM 0 HG2 GLU A 44 3.266 -7.884 -14.738 1.00 0.00 H new ATOM 0 HG3 GLU A 44 1.747 -8.673 -15.112 1.00 0.00 H new ATOM 737 N GLY A 45 4.118 -7.477 -11.501 1.00 0.00 N ATOM 738 CA GLY A 45 5.594 -7.418 -11.325 1.00 0.00 C ATOM 739 C GLY A 45 6.079 -8.721 -10.695 1.00 0.00 C ATOM 740 O GLY A 45 6.983 -9.364 -11.192 1.00 0.00 O ATOM 0 H GLY A 45 3.592 -6.751 -11.015 1.00 0.00 H new ATOM 0 HA2 GLY A 45 6.081 -7.263 -12.288 1.00 0.00 H new ATOM 0 HA3 GLY A 45 5.863 -6.572 -10.692 1.00 0.00 H new ATOM 744 N TYR A 46 5.483 -9.124 -9.607 1.00 0.00 N ATOM 745 CA TYR A 46 5.914 -10.391 -8.958 1.00 0.00 C ATOM 746 C TYR A 46 4.808 -10.925 -8.058 1.00 0.00 C ATOM 747 O TYR A 46 4.087 -10.178 -7.427 1.00 0.00 O ATOM 748 CB TYR A 46 7.177 -10.141 -8.127 1.00 0.00 C ATOM 749 CG TYR A 46 7.365 -11.261 -7.126 1.00 0.00 C ATOM 750 CD1 TYR A 46 7.274 -12.597 -7.536 1.00 0.00 C ATOM 751 CD2 TYR A 46 7.628 -10.960 -5.783 1.00 0.00 C ATOM 752 CE1 TYR A 46 7.447 -13.629 -6.605 1.00 0.00 C ATOM 753 CE2 TYR A 46 7.800 -11.992 -4.850 1.00 0.00 C ATOM 754 CZ TYR A 46 7.710 -13.327 -5.262 1.00 0.00 C ATOM 755 OH TYR A 46 7.879 -14.344 -4.347 1.00 0.00 O ATOM 0 H TYR A 46 4.720 -8.632 -9.142 1.00 0.00 H new ATOM 0 HA TYR A 46 6.127 -11.128 -9.732 1.00 0.00 H new ATOM 0 HB2 TYR A 46 8.046 -10.076 -8.781 1.00 0.00 H new ATOM 0 HB3 TYR A 46 7.098 -9.186 -7.607 1.00 0.00 H new ATOM 0 HD1 TYR A 46 7.070 -12.832 -8.570 1.00 0.00 H new ATOM 0 HD2 TYR A 46 7.698 -9.930 -5.466 1.00 0.00 H new ATOM 0 HE1 TYR A 46 7.378 -14.659 -6.923 1.00 0.00 H new ATOM 0 HE2 TYR A 46 8.002 -11.758 -3.815 1.00 0.00 H new ATOM 0 HH TYR A 46 8.055 -13.962 -3.462 1.00 0.00 H new ATOM 765 N SER A 47 4.677 -12.220 -7.982 1.00 0.00 N ATOM 766 CA SER A 47 3.630 -12.801 -7.108 1.00 0.00 C ATOM 767 C SER A 47 4.064 -12.608 -5.658 1.00 0.00 C ATOM 768 O SER A 47 5.217 -12.776 -5.318 1.00 0.00 O ATOM 769 CB SER A 47 3.478 -14.293 -7.410 1.00 0.00 C ATOM 770 OG SER A 47 4.532 -15.010 -6.780 1.00 0.00 O ATOM 0 H SER A 47 5.250 -12.896 -8.487 1.00 0.00 H new ATOM 0 HA SER A 47 2.673 -12.310 -7.283 1.00 0.00 H new ATOM 0 HB2 SER A 47 2.513 -14.652 -7.051 1.00 0.00 H new ATOM 0 HB3 SER A 47 3.501 -14.462 -8.487 1.00 0.00 H new ATOM 0 HG SER A 47 5.357 -14.483 -6.822 1.00 0.00 H new ATOM 776 N TYR A 48 3.158 -12.244 -4.803 1.00 0.00 N ATOM 777 CA TYR A 48 3.529 -12.027 -3.379 1.00 0.00 C ATOM 778 C TYR A 48 4.002 -13.336 -2.745 1.00 0.00 C ATOM 779 O TYR A 48 4.129 -14.351 -3.400 1.00 0.00 O ATOM 780 CB TYR A 48 2.320 -11.494 -2.623 1.00 0.00 C ATOM 781 CG TYR A 48 1.990 -10.110 -3.125 1.00 0.00 C ATOM 782 CD1 TYR A 48 1.179 -9.945 -4.254 1.00 0.00 C ATOM 783 CD2 TYR A 48 2.496 -8.991 -2.458 1.00 0.00 C ATOM 784 CE1 TYR A 48 0.875 -8.658 -4.714 1.00 0.00 C ATOM 785 CE2 TYR A 48 2.193 -7.704 -2.917 1.00 0.00 C ATOM 786 CZ TYR A 48 1.382 -7.537 -4.045 1.00 0.00 C ATOM 787 OH TYR A 48 1.080 -6.269 -4.495 1.00 0.00 O ATOM 0 H TYR A 48 2.175 -12.087 -5.026 1.00 0.00 H new ATOM 0 HA TYR A 48 4.343 -11.304 -3.328 1.00 0.00 H new ATOM 0 HB2 TYR A 48 1.467 -12.158 -2.764 1.00 0.00 H new ATOM 0 HB3 TYR A 48 2.529 -11.466 -1.554 1.00 0.00 H new ATOM 0 HD1 TYR A 48 0.788 -10.810 -4.770 1.00 0.00 H new ATOM 0 HD2 TYR A 48 3.122 -9.120 -1.587 1.00 0.00 H new ATOM 0 HE1 TYR A 48 0.249 -8.530 -5.585 1.00 0.00 H new ATOM 0 HE2 TYR A 48 2.585 -6.840 -2.401 1.00 0.00 H new ATOM 0 HH TYR A 48 1.104 -6.255 -5.475 1.00 0.00 H new ATOM 797 N THR A 49 4.274 -13.310 -1.469 1.00 0.00 N ATOM 798 CA THR A 49 4.750 -14.536 -0.770 1.00 0.00 C ATOM 799 C THR A 49 3.620 -15.562 -0.694 1.00 0.00 C ATOM 800 O THR A 49 2.461 -15.217 -0.583 1.00 0.00 O ATOM 801 CB THR A 49 5.195 -14.165 0.645 1.00 0.00 C ATOM 802 OG1 THR A 49 6.057 -13.038 0.584 1.00 0.00 O ATOM 803 CG2 THR A 49 5.936 -15.344 1.277 1.00 0.00 C ATOM 0 H THR A 49 4.186 -12.484 -0.876 1.00 0.00 H new ATOM 0 HA THR A 49 5.587 -14.966 -1.321 1.00 0.00 H new ATOM 0 HB THR A 49 4.321 -13.925 1.251 1.00 0.00 H new ATOM 0 HG1 THR A 49 5.665 -12.298 1.094 1.00 0.00 H new ATOM 0 HG21 THR A 49 6.252 -15.077 2.285 1.00 0.00 H new ATOM 0 HG22 THR A 49 5.274 -16.208 1.321 1.00 0.00 H new ATOM 0 HG23 THR A 49 6.811 -15.588 0.675 1.00 0.00 H new ATOM 811 N ASP A 50 3.948 -16.824 -0.755 1.00 0.00 N ATOM 812 CA ASP A 50 2.892 -17.873 -0.689 1.00 0.00 C ATOM 813 C ASP A 50 1.971 -17.594 0.501 1.00 0.00 C ATOM 814 O ASP A 50 0.774 -17.792 0.428 1.00 0.00 O ATOM 815 CB ASP A 50 3.546 -19.245 -0.515 1.00 0.00 C ATOM 816 CG ASP A 50 2.488 -20.340 -0.667 1.00 0.00 C ATOM 817 OD1 ASP A 50 1.359 -20.004 -0.987 1.00 0.00 O ATOM 818 OD2 ASP A 50 2.825 -21.494 -0.460 1.00 0.00 O ATOM 0 H ASP A 50 4.902 -17.174 -0.848 1.00 0.00 H new ATOM 0 HA ASP A 50 2.310 -17.862 -1.611 1.00 0.00 H new ATOM 0 HB2 ASP A 50 4.333 -19.381 -1.256 1.00 0.00 H new ATOM 0 HB3 ASP A 50 4.016 -19.313 0.466 1.00 0.00 H new ATOM 823 N ALA A 51 2.512 -17.129 1.595 1.00 0.00 N ATOM 824 CA ALA A 51 1.651 -16.838 2.777 1.00 0.00 C ATOM 825 C ALA A 51 0.665 -15.730 2.412 1.00 0.00 C ATOM 826 O ALA A 51 -0.535 -15.882 2.541 1.00 0.00 O ATOM 827 CB ALA A 51 2.525 -16.383 3.947 1.00 0.00 C ATOM 0 H ALA A 51 3.506 -16.939 1.721 1.00 0.00 H new ATOM 0 HA ALA A 51 1.105 -17.736 3.066 1.00 0.00 H new ATOM 0 HB1 ALA A 51 1.895 -16.170 4.811 1.00 0.00 H new ATOM 0 HB2 ALA A 51 3.234 -17.172 4.200 1.00 0.00 H new ATOM 0 HB3 ALA A 51 3.070 -15.482 3.665 1.00 0.00 H new ATOM 833 N ASN A 52 1.161 -14.620 1.942 1.00 0.00 N ATOM 834 CA ASN A 52 0.252 -13.507 1.550 1.00 0.00 C ATOM 835 C ASN A 52 -0.685 -13.992 0.447 1.00 0.00 C ATOM 836 O ASN A 52 -1.869 -13.721 0.456 1.00 0.00 O ATOM 837 CB ASN A 52 1.078 -12.327 1.034 1.00 0.00 C ATOM 838 CG ASN A 52 0.141 -11.188 0.635 1.00 0.00 C ATOM 839 OD1 ASN A 52 -1.046 -11.246 0.891 1.00 0.00 O ATOM 840 ND2 ASN A 52 0.623 -10.145 0.015 1.00 0.00 N ATOM 0 H ASN A 52 2.156 -14.435 1.812 1.00 0.00 H new ATOM 0 HA ASN A 52 -0.330 -13.188 2.415 1.00 0.00 H new ATOM 0 HB2 ASN A 52 1.771 -11.989 1.804 1.00 0.00 H new ATOM 0 HB3 ASN A 52 1.678 -12.636 0.178 1.00 0.00 H new ATOM 0 HD21 ASN A 52 0.004 -9.380 -0.254 1.00 0.00 H new ATOM 0 HD22 ASN A 52 1.619 -10.095 -0.200 1.00 0.00 H new ATOM 847 N ILE A 53 -0.159 -14.713 -0.502 1.00 0.00 N ATOM 848 CA ILE A 53 -1.008 -15.226 -1.609 1.00 0.00 C ATOM 849 C ILE A 53 -2.024 -16.221 -1.056 1.00 0.00 C ATOM 850 O ILE A 53 -3.128 -16.334 -1.551 1.00 0.00 O ATOM 851 CB ILE A 53 -0.128 -15.910 -2.649 1.00 0.00 C ATOM 852 CG1 ILE A 53 0.841 -14.880 -3.239 1.00 0.00 C ATOM 853 CG2 ILE A 53 -1.005 -16.490 -3.759 1.00 0.00 C ATOM 854 CD1 ILE A 53 1.825 -15.581 -4.178 1.00 0.00 C ATOM 0 H ILE A 53 0.827 -14.970 -0.558 1.00 0.00 H new ATOM 0 HA ILE A 53 -1.538 -14.396 -2.076 1.00 0.00 H new ATOM 0 HB ILE A 53 0.436 -16.717 -2.182 1.00 0.00 H new ATOM 0 HG12 ILE A 53 0.287 -14.114 -3.782 1.00 0.00 H new ATOM 0 HG13 ILE A 53 1.383 -14.375 -2.439 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -0.375 -16.979 -4.502 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -1.696 -17.218 -3.334 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -1.570 -15.687 -4.233 1.00 0.00 H new ATOM 0 HD11 ILE A 53 2.514 -14.847 -4.597 1.00 0.00 H new ATOM 0 HD12 ILE A 53 2.388 -16.331 -3.622 1.00 0.00 H new ATOM 0 HD13 ILE A 53 1.275 -16.065 -4.985 1.00 0.00 H new ATOM 866 N LYS A 54 -1.669 -16.943 -0.029 1.00 0.00 N ATOM 867 CA LYS A 54 -2.628 -17.921 0.549 1.00 0.00 C ATOM 868 C LYS A 54 -3.917 -17.189 0.910 1.00 0.00 C ATOM 869 O LYS A 54 -5.007 -17.656 0.644 1.00 0.00 O ATOM 870 CB LYS A 54 -2.025 -18.547 1.804 1.00 0.00 C ATOM 871 CG LYS A 54 -2.994 -19.585 2.371 1.00 0.00 C ATOM 872 CD LYS A 54 -2.414 -20.173 3.660 1.00 0.00 C ATOM 873 CE LYS A 54 -3.306 -21.317 4.147 1.00 0.00 C ATOM 874 NZ LYS A 54 -2.667 -21.980 5.319 1.00 0.00 N ATOM 0 H LYS A 54 -0.760 -16.897 0.432 1.00 0.00 H new ATOM 0 HA LYS A 54 -2.839 -18.708 -0.175 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -1.070 -19.016 1.567 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -1.825 -17.776 2.548 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -3.961 -19.124 2.572 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -3.164 -20.377 1.641 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -1.402 -20.537 3.483 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -2.345 -19.400 4.426 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -4.289 -20.934 4.423 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -3.459 -22.040 3.345 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -3.273 -22.758 5.651 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -1.739 -22.358 5.041 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -2.543 -21.287 6.085 1.00 0.00 H new ATOM 888 N LYS A 55 -3.798 -16.033 1.501 1.00 0.00 N ATOM 889 CA LYS A 55 -5.012 -15.252 1.864 1.00 0.00 C ATOM 890 C LYS A 55 -5.172 -14.105 0.863 1.00 0.00 C ATOM 891 O LYS A 55 -4.300 -13.270 0.725 1.00 0.00 O ATOM 892 CB LYS A 55 -4.850 -14.682 3.275 1.00 0.00 C ATOM 893 CG LYS A 55 -6.187 -14.104 3.746 1.00 0.00 C ATOM 894 CD LYS A 55 -6.015 -13.486 5.135 1.00 0.00 C ATOM 895 CE LYS A 55 -7.381 -13.061 5.677 1.00 0.00 C ATOM 896 NZ LYS A 55 -7.754 -13.937 6.823 1.00 0.00 N ATOM 0 H LYS A 55 -2.911 -15.595 1.748 1.00 0.00 H new ATOM 0 HA LYS A 55 -5.892 -15.895 1.838 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -4.518 -15.463 3.959 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -4.084 -13.907 3.280 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -6.538 -13.350 3.042 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -6.944 -14.888 3.776 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -5.552 -14.206 5.810 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -5.349 -12.625 5.082 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -7.349 -12.019 5.997 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -8.134 -13.131 4.892 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -8.683 -13.649 7.192 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -7.800 -14.926 6.504 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -7.040 -13.849 7.574 1.00 0.00 H new ATOM 910 N ASN A 56 -6.273 -14.062 0.161 1.00 0.00 N ATOM 911 CA ASN A 56 -6.481 -12.972 -0.835 1.00 0.00 C ATOM 912 C ASN A 56 -7.711 -12.151 -0.449 1.00 0.00 C ATOM 913 O ASN A 56 -8.768 -12.688 -0.186 1.00 0.00 O ATOM 914 CB ASN A 56 -6.711 -13.578 -2.217 1.00 0.00 C ATOM 915 CG ASN A 56 -6.392 -15.074 -2.183 1.00 0.00 C ATOM 916 OD1 ASN A 56 -7.116 -15.874 -2.742 1.00 0.00 O ATOM 917 ND2 ASN A 56 -5.333 -15.489 -1.544 1.00 0.00 N ATOM 0 H ASN A 56 -7.037 -14.734 0.234 1.00 0.00 H new ATOM 0 HA ASN A 56 -5.598 -12.333 -0.851 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -7.745 -13.424 -2.525 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -6.081 -13.079 -2.953 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -5.113 -16.485 -1.514 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -4.725 -14.818 -1.075 1.00 0.00 H new ATOM 924 N VAL A 57 -7.580 -10.855 -0.420 1.00 0.00 N ATOM 925 CA VAL A 57 -8.737 -9.995 -0.060 1.00 0.00 C ATOM 926 C VAL A 57 -8.879 -8.871 -1.084 1.00 0.00 C ATOM 927 O VAL A 57 -7.913 -8.239 -1.462 1.00 0.00 O ATOM 928 CB VAL A 57 -8.515 -9.396 1.326 1.00 0.00 C ATOM 929 CG1 VAL A 57 -9.745 -8.586 1.738 1.00 0.00 C ATOM 930 CG2 VAL A 57 -8.283 -10.520 2.338 1.00 0.00 C ATOM 0 H VAL A 57 -6.717 -10.354 -0.631 1.00 0.00 H new ATOM 0 HA VAL A 57 -9.646 -10.596 -0.055 1.00 0.00 H new ATOM 0 HB VAL A 57 -7.643 -8.743 1.301 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -9.585 -8.159 2.728 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -9.910 -7.783 1.019 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -10.619 -9.237 1.761 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -8.124 -10.092 3.328 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -9.154 -11.174 2.361 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -7.405 -11.096 2.047 1.00 0.00 H new ATOM 940 N LEU A 58 -10.077 -8.607 -1.527 1.00 0.00 N ATOM 941 CA LEU A 58 -10.272 -7.514 -2.516 1.00 0.00 C ATOM 942 C LEU A 58 -9.661 -6.238 -1.957 1.00 0.00 C ATOM 943 O LEU A 58 -9.684 -5.998 -0.766 1.00 0.00 O ATOM 944 CB LEU A 58 -11.762 -7.297 -2.761 1.00 0.00 C ATOM 945 CG LEU A 58 -11.952 -6.177 -3.783 1.00 0.00 C ATOM 946 CD1 LEU A 58 -11.357 -6.603 -5.128 1.00 0.00 C ATOM 947 CD2 LEU A 58 -13.446 -5.904 -3.956 1.00 0.00 C ATOM 0 H LEU A 58 -10.925 -9.099 -1.247 1.00 0.00 H new ATOM 0 HA LEU A 58 -9.792 -7.780 -3.458 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -12.220 -8.217 -3.125 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -12.261 -7.040 -1.827 1.00 0.00 H new ATOM 0 HG LEU A 58 -11.449 -5.275 -3.433 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -11.493 -5.803 -5.856 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -10.293 -6.806 -5.007 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -11.861 -7.503 -5.480 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -13.588 -5.106 -4.684 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -13.943 -6.808 -4.307 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -13.874 -5.603 -3.000 1.00 0.00 H new ATOM 959 N TRP A 59 -9.100 -5.422 -2.802 1.00 0.00 N ATOM 960 CA TRP A 59 -8.475 -4.174 -2.309 1.00 0.00 C ATOM 961 C TRP A 59 -9.409 -2.982 -2.511 1.00 0.00 C ATOM 962 O TRP A 59 -10.071 -2.853 -3.521 1.00 0.00 O ATOM 963 CB TRP A 59 -7.163 -3.943 -3.054 1.00 0.00 C ATOM 964 CG TRP A 59 -6.086 -4.753 -2.408 1.00 0.00 C ATOM 965 CD1 TRP A 59 -5.346 -5.711 -3.018 1.00 0.00 C ATOM 966 CD2 TRP A 59 -5.629 -4.700 -1.028 1.00 0.00 C ATOM 967 NE1 TRP A 59 -4.452 -6.231 -2.102 1.00 0.00 N ATOM 968 CE2 TRP A 59 -4.591 -5.644 -0.861 1.00 0.00 C ATOM 969 CE3 TRP A 59 -6.007 -3.926 0.085 1.00 0.00 C ATOM 970 CZ2 TRP A 59 -3.952 -5.817 0.364 1.00 0.00 C ATOM 971 CZ3 TRP A 59 -5.366 -4.101 1.320 1.00 0.00 C ATOM 972 CH2 TRP A 59 -4.342 -5.044 1.459 1.00 0.00 C ATOM 0 H TRP A 59 -9.049 -5.568 -3.810 1.00 0.00 H new ATOM 0 HA TRP A 59 -8.280 -4.273 -1.241 1.00 0.00 H new ATOM 0 HB2 TRP A 59 -7.270 -4.226 -4.101 1.00 0.00 H new ATOM 0 HB3 TRP A 59 -6.901 -2.885 -3.035 1.00 0.00 H new ATOM 0 HD1 TRP A 59 -5.440 -6.017 -4.049 1.00 0.00 H new ATOM 0 HE1 TRP A 59 -3.772 -6.960 -2.317 1.00 0.00 H new ATOM 0 HE3 TRP A 59 -6.795 -3.194 -0.012 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 -3.160 -6.544 0.466 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 -5.665 -3.504 2.169 1.00 0.00 H new ATOM 0 HH2 TRP A 59 -3.853 -5.174 2.413 1.00 0.00 H new ATOM 983 N ASP A 60 -9.455 -2.107 -1.543 1.00 0.00 N ATOM 984 CA ASP A 60 -10.327 -0.906 -1.640 1.00 0.00 C ATOM 985 C ASP A 60 -9.612 0.257 -0.952 1.00 0.00 C ATOM 986 O ASP A 60 -8.757 0.055 -0.113 1.00 0.00 O ATOM 987 CB ASP A 60 -11.657 -1.182 -0.937 1.00 0.00 C ATOM 988 CG ASP A 60 -12.636 -0.045 -1.229 1.00 0.00 C ATOM 989 OD1 ASP A 60 -12.323 0.778 -2.071 1.00 0.00 O ATOM 990 OD2 ASP A 60 -13.684 -0.017 -0.604 1.00 0.00 O ATOM 0 H ASP A 60 -8.918 -2.176 -0.679 1.00 0.00 H new ATOM 0 HA ASP A 60 -10.524 -0.663 -2.684 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -12.072 -2.130 -1.280 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -11.500 -1.273 0.138 1.00 0.00 H new ATOM 995 N GLU A 61 -9.937 1.470 -1.296 1.00 0.00 N ATOM 996 CA GLU A 61 -9.247 2.620 -0.652 1.00 0.00 C ATOM 997 C GLU A 61 -9.403 2.522 0.867 1.00 0.00 C ATOM 998 O GLU A 61 -8.488 2.804 1.613 1.00 0.00 O ATOM 999 CB GLU A 61 -9.868 3.927 -1.145 1.00 0.00 C ATOM 1000 CG GLU A 61 -9.643 4.059 -2.654 1.00 0.00 C ATOM 1001 CD GLU A 61 -10.693 3.240 -3.409 1.00 0.00 C ATOM 1002 OE1 GLU A 61 -11.682 2.868 -2.800 1.00 0.00 O ATOM 1003 OE2 GLU A 61 -10.490 3.000 -4.589 1.00 0.00 O ATOM 0 H GLU A 61 -10.644 1.714 -1.989 1.00 0.00 H new ATOM 0 HA GLU A 61 -8.188 2.600 -0.911 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -10.935 3.942 -0.922 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -9.422 4.774 -0.624 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -9.704 5.106 -2.950 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -8.643 3.712 -2.913 1.00 0.00 H new ATOM 1010 N ASN A 62 -10.551 2.117 1.329 1.00 0.00 N ATOM 1011 CA ASN A 62 -10.759 1.996 2.800 1.00 0.00 C ATOM 1012 C ASN A 62 -9.993 0.782 3.337 1.00 0.00 C ATOM 1013 O ASN A 62 -9.389 0.835 4.391 1.00 0.00 O ATOM 1014 CB ASN A 62 -12.251 1.822 3.089 1.00 0.00 C ATOM 1015 CG ASN A 62 -13.006 3.083 2.664 1.00 0.00 C ATOM 1016 OD1 ASN A 62 -12.411 4.125 2.471 1.00 0.00 O ATOM 1017 ND2 ASN A 62 -14.301 3.032 2.508 1.00 0.00 N ATOM 0 H ASN A 62 -11.355 1.864 0.754 1.00 0.00 H new ATOM 0 HA ASN A 62 -10.391 2.898 3.289 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -12.637 0.956 2.552 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -12.407 1.633 4.151 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -14.814 3.867 2.224 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -14.800 2.157 2.670 1.00 0.00 H new ATOM 1024 N ASN A 63 -10.023 -0.315 2.628 1.00 0.00 N ATOM 1025 CA ASN A 63 -9.311 -1.532 3.101 1.00 0.00 C ATOM 1026 C ASN A 63 -7.800 -1.293 3.130 1.00 0.00 C ATOM 1027 O ASN A 63 -7.105 -1.759 4.011 1.00 0.00 O ATOM 1028 CB ASN A 63 -9.623 -2.692 2.157 1.00 0.00 C ATOM 1029 CG ASN A 63 -11.112 -3.032 2.240 1.00 0.00 C ATOM 1030 OD1 ASN A 63 -11.786 -2.638 3.170 1.00 0.00 O ATOM 1031 ND2 ASN A 63 -11.657 -3.753 1.297 1.00 0.00 N ATOM 0 H ASN A 63 -10.512 -0.418 1.739 1.00 0.00 H new ATOM 0 HA ASN A 63 -9.646 -1.769 4.111 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -9.357 -2.424 1.134 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -9.025 -3.563 2.424 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -12.649 -3.985 1.342 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -11.090 -4.084 0.516 1.00 0.00 H new ATOM 1038 N MET A 64 -7.284 -0.583 2.166 1.00 0.00 N ATOM 1039 CA MET A 64 -5.817 -0.332 2.132 1.00 0.00 C ATOM 1040 C MET A 64 -5.372 0.451 3.368 1.00 0.00 C ATOM 1041 O MET A 64 -4.302 0.225 3.895 1.00 0.00 O ATOM 1042 CB MET A 64 -5.466 0.450 0.864 1.00 0.00 C ATOM 1043 CG MET A 64 -5.579 -0.468 -0.358 1.00 0.00 C ATOM 1044 SD MET A 64 -4.659 0.254 -1.737 1.00 0.00 S ATOM 1045 CE MET A 64 -3.001 -0.229 -1.181 1.00 0.00 C ATOM 0 H MET A 64 -7.814 -0.166 1.401 1.00 0.00 H new ATOM 0 HA MET A 64 -5.296 -1.289 2.129 1.00 0.00 H new ATOM 0 HB2 MET A 64 -6.136 1.302 0.754 1.00 0.00 H new ATOM 0 HB3 MET A 64 -4.454 0.848 0.939 1.00 0.00 H new ATOM 0 HG2 MET A 64 -5.186 -1.457 -0.122 1.00 0.00 H new ATOM 0 HG3 MET A 64 -6.626 -0.599 -0.633 1.00 0.00 H new ATOM 0 HE1 MET A 64 -2.289 -0.088 -1.994 1.00 0.00 H new ATOM 0 HE2 MET A 64 -2.708 0.388 -0.331 1.00 0.00 H new ATOM 0 HE3 MET A 64 -3.008 -1.277 -0.883 1.00 0.00 H new ATOM 1055 N SER A 65 -6.168 1.367 3.841 1.00 0.00 N ATOM 1056 CA SER A 65 -5.755 2.147 5.042 1.00 0.00 C ATOM 1057 C SER A 65 -5.488 1.194 6.210 1.00 0.00 C ATOM 1058 O SER A 65 -4.543 1.359 6.959 1.00 0.00 O ATOM 1059 CB SER A 65 -6.872 3.120 5.423 1.00 0.00 C ATOM 1060 OG SER A 65 -7.199 3.925 4.298 1.00 0.00 O ATOM 0 H SER A 65 -7.080 1.609 3.453 1.00 0.00 H new ATOM 0 HA SER A 65 -4.845 2.704 4.817 1.00 0.00 H new ATOM 0 HB2 SER A 65 -7.751 2.569 5.758 1.00 0.00 H new ATOM 0 HB3 SER A 65 -6.554 3.749 6.254 1.00 0.00 H new ATOM 0 HG SER A 65 -7.916 4.548 4.539 1.00 0.00 H new ATOM 1066 N GLU A 66 -6.314 0.198 6.375 1.00 0.00 N ATOM 1067 CA GLU A 66 -6.109 -0.761 7.498 1.00 0.00 C ATOM 1068 C GLU A 66 -4.814 -1.551 7.286 1.00 0.00 C ATOM 1069 O GLU A 66 -4.097 -1.841 8.222 1.00 0.00 O ATOM 1070 CB GLU A 66 -7.291 -1.731 7.557 1.00 0.00 C ATOM 1071 CG GLU A 66 -8.569 -0.960 7.891 1.00 0.00 C ATOM 1072 CD GLU A 66 -9.740 -1.938 8.011 1.00 0.00 C ATOM 1073 OE1 GLU A 66 -9.554 -3.096 7.676 1.00 0.00 O ATOM 1074 OE2 GLU A 66 -10.801 -1.512 8.437 1.00 0.00 O ATOM 0 H GLU A 66 -7.121 0.006 5.782 1.00 0.00 H new ATOM 0 HA GLU A 66 -6.038 -0.206 8.433 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -7.402 -2.244 6.601 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -7.109 -2.497 8.310 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -8.442 -0.412 8.825 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -8.775 -0.223 7.115 1.00 0.00 H new ATOM 1081 N TYR A 67 -4.513 -1.911 6.068 1.00 0.00 N ATOM 1082 CA TYR A 67 -3.269 -2.692 5.812 1.00 0.00 C ATOM 1083 C TYR A 67 -2.037 -1.860 6.180 1.00 0.00 C ATOM 1084 O TYR A 67 -1.121 -2.341 6.816 1.00 0.00 O ATOM 1085 CB TYR A 67 -3.193 -3.065 4.333 1.00 0.00 C ATOM 1086 CG TYR A 67 -1.986 -3.940 4.107 1.00 0.00 C ATOM 1087 CD1 TYR A 67 -2.095 -5.332 4.218 1.00 0.00 C ATOM 1088 CD2 TYR A 67 -0.753 -3.358 3.790 1.00 0.00 C ATOM 1089 CE1 TYR A 67 -0.974 -6.141 4.008 1.00 0.00 C ATOM 1090 CE2 TYR A 67 0.369 -4.169 3.580 1.00 0.00 C ATOM 1091 CZ TYR A 67 0.259 -5.560 3.689 1.00 0.00 C ATOM 1092 OH TYR A 67 1.365 -6.358 3.482 1.00 0.00 O ATOM 0 H TYR A 67 -5.072 -1.699 5.242 1.00 0.00 H new ATOM 0 HA TYR A 67 -3.291 -3.595 6.422 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -4.100 -3.589 4.030 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -3.125 -2.165 3.721 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -3.046 -5.781 4.466 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -0.667 -2.285 3.707 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -1.059 -7.214 4.092 1.00 0.00 H new ATOM 0 HE2 TYR A 67 1.320 -3.721 3.334 1.00 0.00 H new ATOM 0 HH TYR A 67 1.896 -6.401 4.305 1.00 0.00 H new ATOM 1102 N LEU A 68 -2.004 -0.618 5.779 1.00 0.00 N ATOM 1103 CA LEU A 68 -0.829 0.239 6.098 1.00 0.00 C ATOM 1104 C LEU A 68 -0.599 0.266 7.610 1.00 0.00 C ATOM 1105 O LEU A 68 0.515 0.401 8.074 1.00 0.00 O ATOM 1106 CB LEU A 68 -1.093 1.661 5.602 1.00 0.00 C ATOM 1107 CG LEU A 68 -1.316 1.648 4.089 1.00 0.00 C ATOM 1108 CD1 LEU A 68 -1.576 3.074 3.599 1.00 0.00 C ATOM 1109 CD2 LEU A 68 -0.070 1.095 3.397 1.00 0.00 C ATOM 0 H LEU A 68 -2.742 -0.160 5.244 1.00 0.00 H new ATOM 0 HA LEU A 68 0.056 -0.167 5.608 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -1.967 2.075 6.104 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -0.249 2.305 5.849 1.00 0.00 H new ATOM 0 HG LEU A 68 -2.175 1.019 3.854 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -1.735 3.065 2.521 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -2.462 3.473 4.093 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -0.716 3.702 3.834 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -0.227 1.085 2.318 1.00 0.00 H new ATOM 0 HD22 LEU A 68 0.787 1.725 3.633 1.00 0.00 H new ATOM 0 HD23 LEU A 68 0.119 0.080 3.746 1.00 0.00 H new ATOM 1121 N THR A 69 -1.642 0.156 8.381 1.00 0.00 N ATOM 1122 CA THR A 69 -1.485 0.194 9.858 1.00 0.00 C ATOM 1123 C THR A 69 -0.412 -0.803 10.315 1.00 0.00 C ATOM 1124 O THR A 69 0.396 -0.498 11.170 1.00 0.00 O ATOM 1125 CB THR A 69 -2.821 -0.165 10.504 1.00 0.00 C ATOM 1126 OG1 THR A 69 -3.847 0.646 9.950 1.00 0.00 O ATOM 1127 CG2 THR A 69 -2.738 0.076 12.007 1.00 0.00 C ATOM 0 H THR A 69 -2.600 0.041 8.050 1.00 0.00 H new ATOM 0 HA THR A 69 -1.176 1.195 10.158 1.00 0.00 H new ATOM 0 HB THR A 69 -3.046 -1.215 10.316 1.00 0.00 H new ATOM 0 HG1 THR A 69 -4.705 0.415 10.363 1.00 0.00 H new ATOM 0 HG21 THR A 69 -3.691 -0.180 12.470 1.00 0.00 H new ATOM 0 HG22 THR A 69 -1.950 -0.545 12.432 1.00 0.00 H new ATOM 0 HG23 THR A 69 -2.514 1.126 12.195 1.00 0.00 H new ATOM 1135 N ASN A 70 -0.395 -1.988 9.766 1.00 0.00 N ATOM 1136 CA ASN A 70 0.632 -2.989 10.193 1.00 0.00 C ATOM 1137 C ASN A 70 1.199 -3.726 8.977 1.00 0.00 C ATOM 1138 O ASN A 70 1.698 -4.827 9.092 1.00 0.00 O ATOM 1139 CB ASN A 70 -0.007 -4.011 11.133 1.00 0.00 C ATOM 1140 CG ASN A 70 -0.532 -3.308 12.384 1.00 0.00 C ATOM 1141 OD1 ASN A 70 -0.161 -2.187 12.668 1.00 0.00 O ATOM 1142 ND2 ASN A 70 -1.386 -3.928 13.151 1.00 0.00 N ATOM 0 H ASN A 70 -1.042 -2.307 9.045 1.00 0.00 H new ATOM 0 HA ASN A 70 1.438 -2.461 10.703 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -0.823 -4.526 10.625 1.00 0.00 H new ATOM 0 HB3 ASN A 70 0.724 -4.770 11.411 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -1.743 -3.471 13.990 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -1.697 -4.869 12.911 1.00 0.00 H new ATOM 1149 N HIS A 71 1.125 -3.144 7.816 1.00 0.00 N ATOM 1150 CA HIS A 71 1.662 -3.839 6.612 1.00 0.00 C ATOM 1151 C HIS A 71 1.103 -5.261 6.563 1.00 0.00 C ATOM 1152 O HIS A 71 1.567 -6.089 5.805 1.00 0.00 O ATOM 1153 CB HIS A 71 3.187 -3.916 6.696 1.00 0.00 C ATOM 1154 CG HIS A 71 3.799 -3.161 5.550 1.00 0.00 C ATOM 1155 ND1 HIS A 71 4.405 -1.926 5.731 1.00 0.00 N ATOM 1156 CD2 HIS A 71 3.908 -3.443 4.203 1.00 0.00 C ATOM 1157 CE1 HIS A 71 4.849 -1.512 4.533 1.00 0.00 C ATOM 1158 NE2 HIS A 71 4.573 -2.398 3.575 1.00 0.00 N ATOM 0 H HIS A 71 0.719 -2.224 7.646 1.00 0.00 H new ATOM 0 HA HIS A 71 1.370 -3.286 5.719 1.00 0.00 H new ATOM 0 HB2 HIS A 71 3.530 -3.498 7.643 1.00 0.00 H new ATOM 0 HB3 HIS A 71 3.510 -4.957 6.671 1.00 0.00 H new ATOM 0 HD1 HIS A 71 4.497 -1.424 6.614 1.00 0.00 H new ATOM 0 HD2 HIS A 71 3.536 -4.333 3.716 1.00 0.00 H new ATOM 0 HE1 HIS A 71 5.365 -0.578 4.366 1.00 0.00 H new ATOM 1166 N ALA A 72 0.124 -5.557 7.375 1.00 0.00 N ATOM 1167 CA ALA A 72 -0.444 -6.936 7.379 1.00 0.00 C ATOM 1168 C ALA A 72 -1.613 -7.014 8.365 1.00 0.00 C ATOM 1169 O ALA A 72 -2.017 -8.084 8.776 1.00 0.00 O ATOM 1170 CB ALA A 72 0.641 -7.917 7.819 1.00 0.00 C ATOM 0 H ALA A 72 -0.306 -4.907 8.033 1.00 0.00 H new ATOM 0 HA ALA A 72 -0.797 -7.185 6.378 1.00 0.00 H new ATOM 0 HB1 ALA A 72 0.236 -8.929 7.825 1.00 0.00 H new ATOM 0 HB2 ALA A 72 1.480 -7.867 7.125 1.00 0.00 H new ATOM 0 HB3 ALA A 72 0.982 -7.657 8.821 1.00 0.00 H new ATOM 1176 N LYS A 73 -2.159 -5.894 8.755 1.00 0.00 N ATOM 1177 CA LYS A 73 -3.295 -5.922 9.721 1.00 0.00 C ATOM 1178 C LYS A 73 -4.434 -6.765 9.148 1.00 0.00 C ATOM 1179 O LYS A 73 -5.099 -7.493 9.857 1.00 0.00 O ATOM 1180 CB LYS A 73 -3.799 -4.498 9.966 1.00 0.00 C ATOM 1181 CG LYS A 73 -4.871 -4.520 11.058 1.00 0.00 C ATOM 1182 CD LYS A 73 -5.419 -3.108 11.267 1.00 0.00 C ATOM 1183 CE LYS A 73 -6.379 -3.102 12.457 1.00 0.00 C ATOM 1184 NZ LYS A 73 -7.189 -4.353 12.447 1.00 0.00 N ATOM 0 H LYS A 73 -1.870 -4.965 8.449 1.00 0.00 H new ATOM 0 HA LYS A 73 -2.954 -6.356 10.661 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -2.972 -3.854 10.265 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -4.210 -4.082 9.046 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -5.678 -5.196 10.776 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -4.449 -4.899 11.989 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -4.600 -2.411 11.444 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -5.935 -2.771 10.368 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -5.819 -3.026 13.389 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -7.033 -2.232 12.406 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -8.021 -4.233 13.060 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -7.501 -4.557 11.476 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -6.611 -5.143 12.798 1.00 0.00 H new ATOM 1198 N TYR A 74 -4.668 -6.666 7.869 1.00 0.00 N ATOM 1199 CA TYR A 74 -5.770 -7.453 7.252 1.00 0.00 C ATOM 1200 C TYR A 74 -5.242 -8.813 6.787 1.00 0.00 C ATOM 1201 O TYR A 74 -6.003 -9.697 6.449 1.00 0.00 O ATOM 1202 CB TYR A 74 -6.323 -6.687 6.049 1.00 0.00 C ATOM 1203 CG TYR A 74 -7.821 -6.861 5.987 1.00 0.00 C ATOM 1204 CD1 TYR A 74 -8.370 -8.016 5.419 1.00 0.00 C ATOM 1205 CD2 TYR A 74 -8.660 -5.865 6.500 1.00 0.00 C ATOM 1206 CE1 TYR A 74 -9.760 -8.176 5.364 1.00 0.00 C ATOM 1207 CE2 TYR A 74 -10.050 -6.025 6.445 1.00 0.00 C ATOM 1208 CZ TYR A 74 -10.600 -7.180 5.877 1.00 0.00 C ATOM 1209 OH TYR A 74 -11.970 -7.337 5.822 1.00 0.00 O ATOM 0 H TYR A 74 -4.143 -6.074 7.225 1.00 0.00 H new ATOM 0 HA TYR A 74 -6.559 -7.607 7.988 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -6.072 -5.629 6.131 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -5.865 -7.053 5.130 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -7.722 -8.784 5.023 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -8.236 -4.974 6.938 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -10.184 -9.067 4.926 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -10.698 -5.257 6.841 1.00 0.00 H new ATOM 0 HH TYR A 74 -12.405 -6.555 6.222 1.00 0.00 H new ATOM 1219 N ILE A 75 -3.945 -8.982 6.754 1.00 0.00 N ATOM 1220 CA ILE A 75 -3.373 -10.282 6.293 1.00 0.00 C ATOM 1221 C ILE A 75 -2.376 -10.823 7.320 1.00 0.00 C ATOM 1222 O ILE A 75 -1.181 -10.662 7.176 1.00 0.00 O ATOM 1223 CB ILE A 75 -2.638 -10.078 4.972 1.00 0.00 C ATOM 1224 CG1 ILE A 75 -3.389 -9.073 4.103 1.00 0.00 C ATOM 1225 CG2 ILE A 75 -2.541 -11.412 4.231 1.00 0.00 C ATOM 1226 CD1 ILE A 75 -2.608 -8.873 2.806 1.00 0.00 C ATOM 0 H ILE A 75 -3.259 -8.278 7.026 1.00 0.00 H new ATOM 0 HA ILE A 75 -4.191 -10.992 6.169 1.00 0.00 H new ATOM 0 HB ILE A 75 -1.638 -9.696 5.178 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -4.394 -9.436 3.888 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -3.498 -8.125 4.629 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -2.016 -11.266 3.287 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -1.995 -12.129 4.843 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -3.543 -11.792 4.034 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -3.132 -8.157 2.173 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -1.612 -8.494 3.036 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -2.522 -9.825 2.283 1.00 0.00 H new ATOM 1238 N PRO A 76 -2.854 -11.473 8.340 1.00 0.00 N ATOM 1239 CA PRO A 76 -1.972 -12.056 9.385 1.00 0.00 C ATOM 1240 C PRO A 76 -1.010 -13.084 8.789 1.00 0.00 C ATOM 1241 O PRO A 76 -1.392 -13.921 7.995 1.00 0.00 O ATOM 1242 CB PRO A 76 -2.936 -12.724 10.373 1.00 0.00 C ATOM 1243 CG PRO A 76 -4.288 -12.159 10.076 1.00 0.00 C ATOM 1244 CD PRO A 76 -4.274 -11.722 8.612 1.00 0.00 C ATOM 0 HA PRO A 76 -1.346 -11.300 9.859 1.00 0.00 H new ATOM 0 HB2 PRO A 76 -2.931 -13.807 10.251 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -2.644 -12.517 11.403 1.00 0.00 H new ATOM 0 HG2 PRO A 76 -5.065 -12.904 10.249 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -4.506 -11.314 10.729 1.00 0.00 H new ATOM 0 HD2 PRO A 76 -4.678 -12.496 7.959 1.00 0.00 H new ATOM 0 HD3 PRO A 76 -4.875 -10.827 8.455 1.00 0.00 H new ATOM 1252 N GLY A 77 0.238 -13.020 9.158 1.00 0.00 N ATOM 1253 CA GLY A 77 1.226 -13.984 8.603 1.00 0.00 C ATOM 1254 C GLY A 77 1.929 -13.343 7.407 1.00 0.00 C ATOM 1255 O GLY A 77 2.923 -13.842 6.916 1.00 0.00 O ATOM 0 H GLY A 77 0.616 -12.342 9.820 1.00 0.00 H new ATOM 0 HA2 GLY A 77 1.955 -14.257 9.366 1.00 0.00 H new ATOM 0 HA3 GLY A 77 0.725 -14.902 8.297 1.00 0.00 H new ATOM 1259 N THR A 78 1.421 -12.236 6.934 1.00 0.00 N ATOM 1260 CA THR A 78 2.057 -11.559 5.776 1.00 0.00 C ATOM 1261 C THR A 78 3.360 -10.887 6.223 1.00 0.00 C ATOM 1262 O THR A 78 3.480 -10.433 7.342 1.00 0.00 O ATOM 1263 CB THR A 78 1.088 -10.523 5.208 1.00 0.00 C ATOM 1264 OG1 THR A 78 -0.025 -11.195 4.640 1.00 0.00 O ATOM 1265 CG2 THR A 78 1.786 -9.692 4.136 1.00 0.00 C ATOM 0 H THR A 78 0.590 -11.773 7.304 1.00 0.00 H new ATOM 0 HA THR A 78 2.292 -12.289 5.002 1.00 0.00 H new ATOM 0 HB THR A 78 0.753 -9.861 6.006 1.00 0.00 H new ATOM 0 HG1 THR A 78 0.155 -11.385 3.696 1.00 0.00 H new ATOM 0 HG21 THR A 78 1.089 -8.956 3.736 1.00 0.00 H new ATOM 0 HG22 THR A 78 2.643 -9.180 4.573 1.00 0.00 H new ATOM 0 HG23 THR A 78 2.125 -10.346 3.332 1.00 0.00 H new ATOM 1273 N LYS A 79 4.344 -10.841 5.363 1.00 0.00 N ATOM 1274 CA LYS A 79 5.647 -10.220 5.744 1.00 0.00 C ATOM 1275 C LYS A 79 5.423 -8.794 6.256 1.00 0.00 C ATOM 1276 O LYS A 79 4.627 -8.048 5.720 1.00 0.00 O ATOM 1277 CB LYS A 79 6.569 -10.161 4.521 1.00 0.00 C ATOM 1278 CG LYS A 79 6.880 -11.572 4.019 1.00 0.00 C ATOM 1279 CD LYS A 79 7.896 -11.482 2.875 1.00 0.00 C ATOM 1280 CE LYS A 79 8.121 -12.866 2.262 1.00 0.00 C ATOM 1281 NZ LYS A 79 9.348 -13.475 2.849 1.00 0.00 N ATOM 0 H LYS A 79 4.301 -11.207 4.412 1.00 0.00 H new ATOM 0 HA LYS A 79 6.103 -10.824 6.529 1.00 0.00 H new ATOM 0 HB2 LYS A 79 6.095 -9.582 3.728 1.00 0.00 H new ATOM 0 HB3 LYS A 79 7.495 -9.648 4.780 1.00 0.00 H new ATOM 0 HG2 LYS A 79 7.279 -12.181 4.830 1.00 0.00 H new ATOM 0 HG3 LYS A 79 5.968 -12.059 3.675 1.00 0.00 H new ATOM 0 HD2 LYS A 79 7.536 -10.792 2.112 1.00 0.00 H new ATOM 0 HD3 LYS A 79 8.840 -11.082 3.247 1.00 0.00 H new ATOM 0 HE2 LYS A 79 7.258 -13.505 2.452 1.00 0.00 H new ATOM 0 HE3 LYS A 79 8.225 -12.784 1.180 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 9.502 -14.416 2.433 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 10.168 -12.868 2.646 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 9.232 -13.567 3.878 1.00 0.00 H new ATOM 1295 N MET A 80 6.135 -8.408 7.282 1.00 0.00 N ATOM 1296 CA MET A 80 5.985 -7.027 7.827 1.00 0.00 C ATOM 1297 C MET A 80 7.375 -6.411 8.009 1.00 0.00 C ATOM 1298 O MET A 80 8.336 -7.102 8.277 1.00 0.00 O ATOM 1299 CB MET A 80 5.277 -7.078 9.183 1.00 0.00 C ATOM 1300 CG MET A 80 3.855 -7.607 9.003 1.00 0.00 C ATOM 1301 SD MET A 80 2.960 -7.470 10.571 1.00 0.00 S ATOM 1302 CE MET A 80 4.070 -8.506 11.555 1.00 0.00 C ATOM 0 H MET A 80 6.816 -8.992 7.767 1.00 0.00 H new ATOM 0 HA MET A 80 5.395 -6.425 7.136 1.00 0.00 H new ATOM 0 HB2 MET A 80 5.830 -7.720 9.869 1.00 0.00 H new ATOM 0 HB3 MET A 80 5.252 -6.083 9.628 1.00 0.00 H new ATOM 0 HG2 MET A 80 3.340 -7.041 8.227 1.00 0.00 H new ATOM 0 HG3 MET A 80 3.880 -8.646 8.676 1.00 0.00 H new ATOM 0 HE1 MET A 80 3.518 -8.941 12.388 1.00 0.00 H new ATOM 0 HE2 MET A 80 4.472 -9.304 10.930 1.00 0.00 H new ATOM 0 HE3 MET A 80 4.889 -7.898 11.940 1.00 0.00 H new ATOM 1312 N ALA A 81 7.492 -5.118 7.873 1.00 0.00 N ATOM 1313 CA ALA A 81 8.826 -4.477 8.047 1.00 0.00 C ATOM 1314 C ALA A 81 8.768 -3.020 7.583 1.00 0.00 C ATOM 1315 O ALA A 81 9.325 -2.665 6.563 1.00 0.00 O ATOM 1316 CB ALA A 81 9.866 -5.234 7.219 1.00 0.00 C ATOM 0 H ALA A 81 6.727 -4.481 7.650 1.00 0.00 H new ATOM 0 HA ALA A 81 9.104 -4.507 9.101 1.00 0.00 H new ATOM 0 HB1 ALA A 81 10.842 -4.766 7.345 1.00 0.00 H new ATOM 0 HB2 ALA A 81 9.914 -6.270 7.554 1.00 0.00 H new ATOM 0 HB3 ALA A 81 9.584 -5.206 6.167 1.00 0.00 H new ATOM 1322 N PHE A 82 8.104 -2.174 8.327 1.00 0.00 N ATOM 1323 CA PHE A 82 8.018 -0.739 7.933 1.00 0.00 C ATOM 1324 C PHE A 82 8.437 0.153 9.104 1.00 0.00 C ATOM 1325 O PHE A 82 9.592 0.496 9.256 1.00 0.00 O ATOM 1326 CB PHE A 82 6.584 -0.389 7.530 1.00 0.00 C ATOM 1327 CG PHE A 82 6.496 1.101 7.318 1.00 0.00 C ATOM 1328 CD1 PHE A 82 7.028 1.675 6.159 1.00 0.00 C ATOM 1329 CD2 PHE A 82 5.904 1.911 8.294 1.00 0.00 C ATOM 1330 CE1 PHE A 82 6.964 3.060 5.972 1.00 0.00 C ATOM 1331 CE2 PHE A 82 5.843 3.294 8.110 1.00 0.00 C ATOM 1332 CZ PHE A 82 6.372 3.870 6.949 1.00 0.00 C ATOM 0 H PHE A 82 7.618 -2.416 9.190 1.00 0.00 H new ATOM 0 HA PHE A 82 8.686 -0.572 7.088 1.00 0.00 H new ATOM 0 HB2 PHE A 82 6.307 -0.918 6.618 1.00 0.00 H new ATOM 0 HB3 PHE A 82 5.885 -0.703 8.305 1.00 0.00 H new ATOM 0 HD1 PHE A 82 7.488 1.049 5.409 1.00 0.00 H new ATOM 0 HD2 PHE A 82 5.495 1.467 9.189 1.00 0.00 H new ATOM 0 HE1 PHE A 82 7.371 3.504 5.075 1.00 0.00 H new ATOM 0 HE2 PHE A 82 5.388 3.919 8.864 1.00 0.00 H new ATOM 0 HZ PHE A 82 6.324 4.939 6.807 1.00 0.00 H new ATOM 1342 N GLY A 83 7.500 0.542 9.926 1.00 0.00 N ATOM 1343 CA GLY A 83 7.837 1.422 11.080 1.00 0.00 C ATOM 1344 C GLY A 83 6.567 1.734 11.878 1.00 0.00 C ATOM 1345 O GLY A 83 6.119 0.937 12.679 1.00 0.00 O ATOM 0 H GLY A 83 6.515 0.288 9.848 1.00 0.00 H new ATOM 0 HA2 GLY A 83 8.570 0.933 11.721 1.00 0.00 H new ATOM 0 HA3 GLY A 83 8.291 2.347 10.724 1.00 0.00 H new ATOM 1349 N GLY A 84 5.985 2.888 11.674 1.00 0.00 N ATOM 1350 CA GLY A 84 4.749 3.235 12.436 1.00 0.00 C ATOM 1351 C GLY A 84 3.876 4.209 11.637 1.00 0.00 C ATOM 1352 O GLY A 84 3.660 5.334 12.042 1.00 0.00 O ATOM 0 H GLY A 84 6.309 3.599 11.019 1.00 0.00 H new ATOM 0 HA2 GLY A 84 4.184 2.329 12.655 1.00 0.00 H new ATOM 0 HA3 GLY A 84 5.019 3.682 13.393 1.00 0.00 H new ATOM 1356 N LEU A 85 3.361 3.785 10.514 1.00 0.00 N ATOM 1357 CA LEU A 85 2.488 4.687 9.705 1.00 0.00 C ATOM 1358 C LEU A 85 1.087 4.691 10.320 1.00 0.00 C ATOM 1359 O LEU A 85 0.128 5.113 9.708 1.00 0.00 O ATOM 1360 CB LEU A 85 2.414 4.175 8.262 1.00 0.00 C ATOM 1361 CG LEU A 85 2.355 5.367 7.298 1.00 0.00 C ATOM 1362 CD1 LEU A 85 3.750 5.978 7.149 1.00 0.00 C ATOM 1363 CD2 LEU A 85 1.868 4.907 5.921 1.00 0.00 C ATOM 0 H LEU A 85 3.506 2.855 10.122 1.00 0.00 H new ATOM 0 HA LEU A 85 2.898 5.697 9.702 1.00 0.00 H new ATOM 0 HB2 LEU A 85 3.283 3.556 8.039 1.00 0.00 H new ATOM 0 HB3 LEU A 85 1.534 3.546 8.133 1.00 0.00 H new ATOM 0 HG LEU A 85 1.664 6.108 7.700 1.00 0.00 H new ATOM 0 HD11 LEU A 85 3.705 6.824 6.464 1.00 0.00 H new ATOM 0 HD12 LEU A 85 4.104 6.317 8.122 1.00 0.00 H new ATOM 0 HD13 LEU A 85 4.436 5.228 6.755 1.00 0.00 H new ATOM 0 HD21 LEU A 85 1.830 5.761 5.245 1.00 0.00 H new ATOM 0 HD22 LEU A 85 2.554 4.159 5.523 1.00 0.00 H new ATOM 0 HD23 LEU A 85 0.873 4.473 6.014 1.00 0.00 H new ATOM 1375 N LYS A 86 0.966 4.218 11.531 1.00 0.00 N ATOM 1376 CA LYS A 86 -0.369 4.184 12.193 1.00 0.00 C ATOM 1377 C LYS A 86 -1.001 5.576 12.151 1.00 0.00 C ATOM 1378 O LYS A 86 -2.207 5.717 12.114 1.00 0.00 O ATOM 1379 CB LYS A 86 -0.201 3.745 13.650 1.00 0.00 C ATOM 1380 CG LYS A 86 -1.578 3.589 14.300 1.00 0.00 C ATOM 1381 CD LYS A 86 -1.408 3.221 15.775 1.00 0.00 C ATOM 1382 CE LYS A 86 -2.778 2.949 16.400 1.00 0.00 C ATOM 1383 NZ LYS A 86 -3.206 4.135 17.193 1.00 0.00 N ATOM 0 H LYS A 86 1.736 3.853 12.091 1.00 0.00 H new ATOM 0 HA LYS A 86 -1.015 3.479 11.669 1.00 0.00 H new ATOM 0 HB2 LYS A 86 0.343 2.802 13.696 1.00 0.00 H new ATOM 0 HB3 LYS A 86 0.389 4.481 14.196 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -2.142 4.517 14.209 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -2.149 2.817 13.785 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -0.773 2.340 15.869 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -0.909 4.031 16.307 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -3.509 2.736 15.620 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -2.729 2.068 17.040 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -4.137 3.951 17.618 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -2.512 4.318 17.946 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -3.268 4.965 16.570 1.00 0.00 H new ATOM 1397 N LYS A 87 -0.201 6.606 12.162 1.00 0.00 N ATOM 1398 CA LYS A 87 -0.769 7.983 12.127 1.00 0.00 C ATOM 1399 C LYS A 87 -1.672 8.130 10.900 1.00 0.00 C ATOM 1400 O LYS A 87 -1.266 7.878 9.783 1.00 0.00 O ATOM 1401 CB LYS A 87 0.370 9.001 12.048 1.00 0.00 C ATOM 1402 CG LYS A 87 1.220 8.914 13.318 1.00 0.00 C ATOM 1403 CD LYS A 87 2.290 10.008 13.294 1.00 0.00 C ATOM 1404 CE LYS A 87 3.217 9.839 14.499 1.00 0.00 C ATOM 1405 NZ LYS A 87 4.065 8.628 14.308 1.00 0.00 N ATOM 0 H LYS A 87 0.817 6.555 12.194 1.00 0.00 H new ATOM 0 HA LYS A 87 -1.352 8.160 13.031 1.00 0.00 H new ATOM 0 HB2 LYS A 87 0.987 8.806 11.171 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -0.034 10.007 11.936 1.00 0.00 H new ATOM 0 HG2 LYS A 87 0.589 9.028 14.199 1.00 0.00 H new ATOM 0 HG3 LYS A 87 1.690 7.933 13.387 1.00 0.00 H new ATOM 0 HD2 LYS A 87 2.864 9.951 12.369 1.00 0.00 H new ATOM 0 HD3 LYS A 87 1.821 10.992 13.317 1.00 0.00 H new ATOM 0 HE2 LYS A 87 3.846 10.722 14.614 1.00 0.00 H new ATOM 0 HE3 LYS A 87 2.630 9.744 15.413 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 4.902 8.690 14.922 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 3.517 7.779 14.553 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 4.368 8.570 13.315 1.00 0.00 H new ATOM 1419 N GLU A 88 -2.896 8.533 11.104 1.00 0.00 N ATOM 1420 CA GLU A 88 -3.837 8.695 9.959 1.00 0.00 C ATOM 1421 C GLU A 88 -3.349 9.809 9.031 1.00 0.00 C ATOM 1422 O GLU A 88 -3.601 9.791 7.842 1.00 0.00 O ATOM 1423 CB GLU A 88 -5.225 9.054 10.489 1.00 0.00 C ATOM 1424 CG GLU A 88 -5.788 7.880 11.293 1.00 0.00 C ATOM 1425 CD GLU A 88 -7.196 8.224 11.780 1.00 0.00 C ATOM 1426 OE1 GLU A 88 -7.592 9.369 11.627 1.00 0.00 O ATOM 1427 OE2 GLU A 88 -7.857 7.337 12.296 1.00 0.00 O ATOM 0 H GLU A 88 -3.287 8.758 12.019 1.00 0.00 H new ATOM 0 HA GLU A 88 -3.883 7.759 9.402 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -5.167 9.943 11.117 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -5.891 9.293 9.660 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -5.815 6.982 10.676 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -5.141 7.664 12.143 1.00 0.00 H new ATOM 1434 N LYS A 89 -2.668 10.787 9.562 1.00 0.00 N ATOM 1435 CA LYS A 89 -2.188 11.906 8.709 1.00 0.00 C ATOM 1436 C LYS A 89 -1.336 11.366 7.560 1.00 0.00 C ATOM 1437 O LYS A 89 -1.510 11.744 6.419 1.00 0.00 O ATOM 1438 CB LYS A 89 -1.348 12.856 9.561 1.00 0.00 C ATOM 1439 CG LYS A 89 -2.228 13.491 10.640 1.00 0.00 C ATOM 1440 CD LYS A 89 -1.413 14.526 11.418 1.00 0.00 C ATOM 1441 CE LYS A 89 -2.252 15.072 12.576 1.00 0.00 C ATOM 1442 NZ LYS A 89 -1.807 14.441 13.851 1.00 0.00 N ATOM 0 H LYS A 89 -2.424 10.858 10.550 1.00 0.00 H new ATOM 0 HA LYS A 89 -3.046 12.435 8.294 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -0.523 12.314 10.023 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -0.908 13.631 8.933 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -3.097 13.965 10.183 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -2.603 12.723 11.317 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -0.499 14.072 11.800 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -1.113 15.339 10.757 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -2.146 16.155 12.637 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -3.308 14.864 12.404 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -2.376 14.811 14.639 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -1.930 13.410 13.790 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -0.804 14.661 14.016 1.00 0.00 H new ATOM 1456 N ASP A 90 -0.417 10.486 7.844 1.00 0.00 N ATOM 1457 CA ASP A 90 0.436 9.933 6.757 1.00 0.00 C ATOM 1458 C ASP A 90 -0.399 9.012 5.865 1.00 0.00 C ATOM 1459 O ASP A 90 -0.394 9.129 4.656 1.00 0.00 O ATOM 1460 CB ASP A 90 1.586 9.139 7.371 1.00 0.00 C ATOM 1461 CG ASP A 90 2.499 10.083 8.156 1.00 0.00 C ATOM 1462 OD1 ASP A 90 2.370 11.283 7.977 1.00 0.00 O ATOM 1463 OD2 ASP A 90 3.309 9.591 8.923 1.00 0.00 O ATOM 0 H ASP A 90 -0.220 10.127 8.778 1.00 0.00 H new ATOM 0 HA ASP A 90 0.835 10.752 6.158 1.00 0.00 H new ATOM 0 HB2 ASP A 90 1.195 8.363 8.030 1.00 0.00 H new ATOM 0 HB3 ASP A 90 2.153 8.636 6.588 1.00 0.00 H new ATOM 1468 N ARG A 91 -1.111 8.091 6.456 1.00 0.00 N ATOM 1469 CA ARG A 91 -1.943 7.154 5.645 1.00 0.00 C ATOM 1470 C ARG A 91 -2.978 7.929 4.826 1.00 0.00 C ATOM 1471 O ARG A 91 -3.300 7.561 3.714 1.00 0.00 O ATOM 1472 CB ARG A 91 -2.662 6.173 6.576 1.00 0.00 C ATOM 1473 CG ARG A 91 -1.633 5.257 7.237 1.00 0.00 C ATOM 1474 CD ARG A 91 -2.347 4.217 8.103 1.00 0.00 C ATOM 1475 NE ARG A 91 -3.151 4.906 9.152 1.00 0.00 N ATOM 1476 CZ ARG A 91 -4.033 4.234 9.840 1.00 0.00 C ATOM 1477 NH1 ARG A 91 -4.222 2.966 9.598 1.00 0.00 N ATOM 1478 NH2 ARG A 91 -4.726 4.831 10.770 1.00 0.00 N ATOM 0 H ARG A 91 -1.153 7.946 7.465 1.00 0.00 H new ATOM 0 HA ARG A 91 -1.292 6.607 4.963 1.00 0.00 H new ATOM 0 HB2 ARG A 91 -3.221 6.719 7.336 1.00 0.00 H new ATOM 0 HB3 ARG A 91 -3.384 5.581 6.012 1.00 0.00 H new ATOM 0 HG2 ARG A 91 -1.033 4.759 6.475 1.00 0.00 H new ATOM 0 HG3 ARG A 91 -0.948 5.845 7.848 1.00 0.00 H new ATOM 0 HD2 ARG A 91 -2.994 3.596 7.484 1.00 0.00 H new ATOM 0 HD3 ARG A 91 -1.618 3.553 8.567 1.00 0.00 H new ATOM 0 HE ARG A 91 -3.012 5.900 9.332 1.00 0.00 H new ATOM 0 HH11 ARG A 91 -3.680 2.499 8.871 1.00 0.00 H new ATOM 0 HH12 ARG A 91 -4.912 2.441 10.136 1.00 0.00 H new ATOM 0 HH21 ARG A 91 -4.578 5.822 10.959 1.00 0.00 H new ATOM 0 HH22 ARG A 91 -5.416 4.306 11.308 1.00 0.00 H new ATOM 1492 N ASN A 92 -3.511 8.990 5.364 1.00 0.00 N ATOM 1493 CA ASN A 92 -4.531 9.765 4.609 1.00 0.00 C ATOM 1494 C ASN A 92 -3.911 10.366 3.348 1.00 0.00 C ATOM 1495 O ASN A 92 -4.310 10.060 2.243 1.00 0.00 O ATOM 1496 CB ASN A 92 -5.064 10.892 5.493 1.00 0.00 C ATOM 1497 CG ASN A 92 -5.845 10.303 6.668 1.00 0.00 C ATOM 1498 OD1 ASN A 92 -6.018 9.104 6.759 1.00 0.00 O ATOM 1499 ND2 ASN A 92 -6.338 11.105 7.569 1.00 0.00 N ATOM 0 H ASN A 92 -3.285 9.352 6.290 1.00 0.00 H new ATOM 0 HA ASN A 92 -5.344 9.098 4.323 1.00 0.00 H new ATOM 0 HB2 ASN A 92 -4.237 11.499 5.862 1.00 0.00 H new ATOM 0 HB3 ASN A 92 -5.708 11.550 4.910 1.00 0.00 H new ATOM 0 HD21 ASN A 92 -6.870 10.726 8.352 1.00 0.00 H new ATOM 0 HD22 ASN A 92 -6.192 12.111 7.491 1.00 0.00 H new ATOM 1506 N ASP A 93 -2.943 11.221 3.505 1.00 0.00 N ATOM 1507 CA ASP A 93 -2.299 11.852 2.315 1.00 0.00 C ATOM 1508 C ASP A 93 -1.630 10.776 1.460 1.00 0.00 C ATOM 1509 O ASP A 93 -1.644 10.831 0.247 1.00 0.00 O ATOM 1510 CB ASP A 93 -1.246 12.860 2.781 1.00 0.00 C ATOM 1511 CG ASP A 93 -1.935 14.024 3.496 1.00 0.00 C ATOM 1512 OD1 ASP A 93 -3.146 14.128 3.386 1.00 0.00 O ATOM 1513 OD2 ASP A 93 -1.240 14.791 4.143 1.00 0.00 O ATOM 0 H ASP A 93 -2.567 11.513 4.407 1.00 0.00 H new ATOM 0 HA ASP A 93 -3.058 12.363 1.723 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -0.536 12.376 3.452 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -0.677 13.229 1.927 1.00 0.00 H new ATOM 1518 N LEU A 94 -1.043 9.800 2.088 1.00 0.00 N ATOM 1519 CA LEU A 94 -0.366 8.714 1.328 1.00 0.00 C ATOM 1520 C LEU A 94 -1.311 8.151 0.274 1.00 0.00 C ATOM 1521 O LEU A 94 -1.059 8.223 -0.913 1.00 0.00 O ATOM 1522 CB LEU A 94 0.011 7.602 2.308 1.00 0.00 C ATOM 1523 CG LEU A 94 0.606 6.410 1.557 1.00 0.00 C ATOM 1524 CD1 LEU A 94 1.873 6.839 0.821 1.00 0.00 C ATOM 1525 CD2 LEU A 94 0.947 5.315 2.564 1.00 0.00 C ATOM 0 H LEU A 94 -1.002 9.706 3.103 1.00 0.00 H new ATOM 0 HA LEU A 94 0.523 9.108 0.835 1.00 0.00 H new ATOM 0 HB2 LEU A 94 0.731 7.978 3.035 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -0.870 7.286 2.866 1.00 0.00 H new ATOM 0 HG LEU A 94 -0.116 6.037 0.830 1.00 0.00 H new ATOM 0 HD11 LEU A 94 2.291 5.985 0.288 1.00 0.00 H new ATOM 0 HD12 LEU A 94 1.631 7.628 0.109 1.00 0.00 H new ATOM 0 HD13 LEU A 94 2.603 7.211 1.540 1.00 0.00 H new ATOM 0 HD21 LEU A 94 1.372 4.459 2.040 1.00 0.00 H new ATOM 0 HD22 LEU A 94 1.671 5.696 3.285 1.00 0.00 H new ATOM 0 HD23 LEU A 94 0.042 5.007 3.087 1.00 0.00 H new ATOM 1537 N ILE A 95 -2.388 7.576 0.708 1.00 0.00 N ATOM 1538 CA ILE A 95 -3.358 6.982 -0.238 1.00 0.00 C ATOM 1539 C ILE A 95 -3.990 8.067 -1.108 1.00 0.00 C ATOM 1540 O ILE A 95 -4.374 7.822 -2.233 1.00 0.00 O ATOM 1541 CB ILE A 95 -4.428 6.253 0.560 1.00 0.00 C ATOM 1542 CG1 ILE A 95 -3.771 5.102 1.324 1.00 0.00 C ATOM 1543 CG2 ILE A 95 -5.484 5.709 -0.392 1.00 0.00 C ATOM 1544 CD1 ILE A 95 -4.811 4.404 2.202 1.00 0.00 C ATOM 0 H ILE A 95 -2.641 7.491 1.692 1.00 0.00 H new ATOM 0 HA ILE A 95 -2.846 6.281 -0.897 1.00 0.00 H new ATOM 0 HB ILE A 95 -4.904 6.935 1.264 1.00 0.00 H new ATOM 0 HG12 ILE A 95 -3.336 4.390 0.623 1.00 0.00 H new ATOM 0 HG13 ILE A 95 -2.956 5.481 1.941 1.00 0.00 H new ATOM 0 HG21 ILE A 95 -6.252 5.186 0.177 1.00 0.00 H new ATOM 0 HG22 ILE A 95 -5.938 6.534 -0.942 1.00 0.00 H new ATOM 0 HG23 ILE A 95 -5.019 5.017 -1.094 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -4.339 3.585 2.744 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -5.225 5.119 2.913 1.00 0.00 H new ATOM 0 HD13 ILE A 95 -5.611 4.010 1.575 1.00 0.00 H new ATOM 1556 N THR A 96 -4.104 9.264 -0.607 1.00 0.00 N ATOM 1557 CA THR A 96 -4.710 10.344 -1.423 1.00 0.00 C ATOM 1558 C THR A 96 -3.988 10.412 -2.769 1.00 0.00 C ATOM 1559 O THR A 96 -4.599 10.575 -3.806 1.00 0.00 O ATOM 1560 CB THR A 96 -4.557 11.674 -0.685 1.00 0.00 C ATOM 1561 OG1 THR A 96 -5.034 11.534 0.645 1.00 0.00 O ATOM 1562 CG2 THR A 96 -5.366 12.748 -1.401 1.00 0.00 C ATOM 0 H THR A 96 -3.804 9.538 0.329 1.00 0.00 H new ATOM 0 HA THR A 96 -5.769 10.143 -1.588 1.00 0.00 H new ATOM 0 HB THR A 96 -3.505 11.961 -0.668 1.00 0.00 H new ATOM 0 HG1 THR A 96 -4.466 10.901 1.131 1.00 0.00 H new ATOM 0 HG21 THR A 96 -5.257 13.697 -0.875 1.00 0.00 H new ATOM 0 HG22 THR A 96 -5.003 12.856 -2.423 1.00 0.00 H new ATOM 0 HG23 THR A 96 -6.417 12.461 -1.418 1.00 0.00 H new ATOM 1570 N TYR A 97 -2.690 10.275 -2.760 1.00 0.00 N ATOM 1571 CA TYR A 97 -1.925 10.319 -4.036 1.00 0.00 C ATOM 1572 C TYR A 97 -2.110 9.005 -4.797 1.00 0.00 C ATOM 1573 O TYR A 97 -2.341 8.994 -5.991 1.00 0.00 O ATOM 1574 CB TYR A 97 -0.443 10.535 -3.724 1.00 0.00 C ATOM 1575 CG TYR A 97 0.357 10.458 -5.000 1.00 0.00 C ATOM 1576 CD1 TYR A 97 0.401 11.550 -5.875 1.00 0.00 C ATOM 1577 CD2 TYR A 97 1.056 9.288 -5.306 1.00 0.00 C ATOM 1578 CE1 TYR A 97 1.146 11.468 -7.058 1.00 0.00 C ATOM 1579 CE2 TYR A 97 1.801 9.204 -6.486 1.00 0.00 C ATOM 1580 CZ TYR A 97 1.846 10.294 -7.364 1.00 0.00 C ATOM 1581 OH TYR A 97 2.581 10.212 -8.529 1.00 0.00 O ATOM 0 H TYR A 97 -2.126 10.134 -1.922 1.00 0.00 H new ATOM 0 HA TYR A 97 -2.291 11.139 -4.654 1.00 0.00 H new ATOM 0 HB2 TYR A 97 -0.298 11.506 -3.250 1.00 0.00 H new ATOM 0 HB3 TYR A 97 -0.095 9.780 -3.018 1.00 0.00 H new ATOM 0 HD1 TYR A 97 -0.139 12.455 -5.638 1.00 0.00 H new ATOM 0 HD2 TYR A 97 1.021 8.447 -4.630 1.00 0.00 H new ATOM 0 HE1 TYR A 97 1.181 12.310 -7.734 1.00 0.00 H new ATOM 0 HE2 TYR A 97 2.342 8.299 -6.720 1.00 0.00 H new ATOM 0 HH TYR A 97 3.005 9.330 -8.587 1.00 0.00 H new ATOM 1591 N LEU A 98 -2.004 7.896 -4.118 1.00 0.00 N ATOM 1592 CA LEU A 98 -2.167 6.580 -4.802 1.00 0.00 C ATOM 1593 C LEU A 98 -3.571 6.475 -5.393 1.00 0.00 C ATOM 1594 O LEU A 98 -3.756 6.045 -6.514 1.00 0.00 O ATOM 1595 CB LEU A 98 -1.964 5.456 -3.783 1.00 0.00 C ATOM 1596 CG LEU A 98 -0.578 5.586 -3.147 1.00 0.00 C ATOM 1597 CD1 LEU A 98 -0.437 4.564 -2.019 1.00 0.00 C ATOM 1598 CD2 LEU A 98 0.493 5.319 -4.203 1.00 0.00 C ATOM 0 H LEU A 98 -1.811 7.843 -3.118 1.00 0.00 H new ATOM 0 HA LEU A 98 -1.432 6.494 -5.602 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -2.735 5.505 -3.014 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -2.062 4.486 -4.271 1.00 0.00 H new ATOM 0 HG LEU A 98 -0.456 6.593 -2.747 1.00 0.00 H new ATOM 0 HD11 LEU A 98 0.550 4.656 -1.566 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -1.202 4.748 -1.264 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -0.559 3.558 -2.422 1.00 0.00 H new ATOM 0 HD21 LEU A 98 1.481 5.411 -3.751 1.00 0.00 H new ATOM 0 HD22 LEU A 98 0.369 4.312 -4.601 1.00 0.00 H new ATOM 0 HD23 LEU A 98 0.395 6.043 -5.012 1.00 0.00 H new ATOM 1610 N LYS A 99 -4.563 6.869 -4.647 1.00 0.00 N ATOM 1611 CA LYS A 99 -5.958 6.800 -5.162 1.00 0.00 C ATOM 1612 C LYS A 99 -6.087 7.689 -6.399 1.00 0.00 C ATOM 1613 O LYS A 99 -6.754 7.348 -7.356 1.00 0.00 O ATOM 1614 CB LYS A 99 -6.922 7.272 -4.076 1.00 0.00 C ATOM 1615 CG LYS A 99 -8.362 7.164 -4.581 1.00 0.00 C ATOM 1616 CD LYS A 99 -9.316 7.737 -3.530 1.00 0.00 C ATOM 1617 CE LYS A 99 -10.762 7.475 -3.954 1.00 0.00 C ATOM 1618 NZ LYS A 99 -10.778 6.875 -5.319 1.00 0.00 N ATOM 0 H LYS A 99 -4.468 7.237 -3.700 1.00 0.00 H new ATOM 0 HA LYS A 99 -6.201 5.773 -5.434 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -6.796 6.669 -3.177 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -6.699 8.303 -3.802 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -8.471 7.706 -5.520 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -8.610 6.122 -4.784 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -9.122 7.279 -2.560 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -9.148 8.808 -3.417 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -11.245 6.803 -3.244 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -11.329 8.406 -3.948 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -11.758 6.822 -5.663 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -10.216 7.466 -5.964 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -10.371 5.918 -5.283 1.00 0.00 H new ATOM 1632 N LYS A 100 -5.449 8.827 -6.389 1.00 0.00 N ATOM 1633 CA LYS A 100 -5.529 9.739 -7.564 1.00 0.00 C ATOM 1634 C LYS A 100 -5.006 9.011 -8.797 1.00 0.00 C ATOM 1635 O LYS A 100 -5.578 9.076 -9.867 1.00 0.00 O ATOM 1636 CB LYS A 100 -4.656 10.966 -7.307 1.00 0.00 C ATOM 1637 CG LYS A 100 -4.925 12.022 -8.381 1.00 0.00 C ATOM 1638 CD LYS A 100 -4.006 13.224 -8.158 1.00 0.00 C ATOM 1639 CE LYS A 100 -4.381 14.341 -9.135 1.00 0.00 C ATOM 1640 NZ LYS A 100 -5.410 15.222 -8.513 1.00 0.00 N ATOM 0 H LYS A 100 -4.875 9.165 -5.616 1.00 0.00 H new ATOM 0 HA LYS A 100 -6.563 10.045 -7.722 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -4.868 11.375 -6.319 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -3.603 10.684 -7.316 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -4.755 11.600 -9.371 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -5.968 12.337 -8.343 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -4.096 13.579 -7.131 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -2.966 12.932 -8.304 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -3.497 14.924 -9.394 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -4.765 13.914 -10.062 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -5.665 15.981 -9.177 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -6.256 14.661 -8.287 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -5.028 15.639 -7.640 1.00 0.00 H new ATOM 1654 N ALA A 101 -3.921 8.311 -8.644 1.00 0.00 N ATOM 1655 CA ALA A 101 -3.346 7.560 -9.794 1.00 0.00 C ATOM 1656 C ALA A 101 -4.300 6.428 -10.154 1.00 0.00 C ATOM 1657 O ALA A 101 -4.669 6.248 -11.298 1.00 0.00 O ATOM 1658 CB ALA A 101 -1.984 6.982 -9.403 1.00 0.00 C ATOM 0 H ALA A 101 -3.404 8.225 -7.769 1.00 0.00 H new ATOM 0 HA ALA A 101 -3.214 8.225 -10.648 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -1.566 6.433 -10.247 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -1.310 7.793 -9.128 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -2.105 6.308 -8.555 1.00 0.00 H new ATOM 1664 N THR A 102 -4.722 5.677 -9.176 1.00 0.00 N ATOM 1665 CA THR A 102 -5.675 4.573 -9.448 1.00 0.00 C ATOM 1666 C THR A 102 -6.966 5.181 -9.987 1.00 0.00 C ATOM 1667 O THR A 102 -7.668 4.583 -10.778 1.00 0.00 O ATOM 1668 CB THR A 102 -5.967 3.811 -8.152 1.00 0.00 C ATOM 1669 OG1 THR A 102 -4.744 3.370 -7.579 1.00 0.00 O ATOM 1670 CG2 THR A 102 -6.856 2.605 -8.456 1.00 0.00 C ATOM 0 H THR A 102 -4.446 5.782 -8.200 1.00 0.00 H new ATOM 0 HA THR A 102 -5.251 3.880 -10.175 1.00 0.00 H new ATOM 0 HB THR A 102 -6.481 4.469 -7.451 1.00 0.00 H new ATOM 0 HG1 THR A 102 -4.300 4.123 -7.136 1.00 0.00 H new ATOM 0 HG21 THR A 102 -7.063 2.064 -7.533 1.00 0.00 H new ATOM 0 HG22 THR A 102 -7.794 2.946 -8.895 1.00 0.00 H new ATOM 0 HG23 THR A 102 -6.346 1.945 -9.157 1.00 0.00 H new ATOM 1678 N GLU A 103 -7.281 6.375 -9.559 1.00 0.00 N ATOM 1679 CA GLU A 103 -8.525 7.036 -10.041 1.00 0.00 C ATOM 1680 C GLU A 103 -8.424 7.278 -11.549 1.00 0.00 C ATOM 1681 O GLU A 103 -9.418 7.411 -12.235 1.00 0.00 O ATOM 1682 CB GLU A 103 -8.705 8.374 -9.322 1.00 0.00 C ATOM 1683 CG GLU A 103 -10.048 8.991 -9.719 1.00 0.00 C ATOM 1684 CD GLU A 103 -10.183 10.373 -9.076 1.00 0.00 C ATOM 1685 OE1 GLU A 103 -9.256 10.782 -8.396 1.00 0.00 O ATOM 1686 OE2 GLU A 103 -11.211 11.000 -9.276 1.00 0.00 O ATOM 0 H GLU A 103 -6.729 6.920 -8.896 1.00 0.00 H new ATOM 0 HA GLU A 103 -9.380 6.393 -9.832 1.00 0.00 H new ATOM 0 HB2 GLU A 103 -8.665 8.227 -8.243 1.00 0.00 H new ATOM 0 HB3 GLU A 103 -7.891 9.051 -9.582 1.00 0.00 H new ATOM 0 HG2 GLU A 103 -10.116 9.074 -10.804 1.00 0.00 H new ATOM 0 HG3 GLU A 103 -10.866 8.347 -9.397 1.00 0.00 H new TER 1693 GLU A 103 HETATM 1694 FE HEC A 104 4.910 -2.332 1.502 1.00 0.00 FE HETATM 1695 CHA HEC A 104 2.907 -5.013 0.971 1.00 0.00 C HETATM 1696 CHB HEC A 104 2.247 -0.279 1.150 1.00 0.00 C HETATM 1697 CHC HEC A 104 6.911 0.347 2.025 1.00 0.00 C HETATM 1698 CHD HEC A 104 7.583 -4.388 1.787 1.00 0.00 C HETATM 1699 NA HEC A 104 2.998 -2.589 1.153 1.00 0.00 N HETATM 1700 C1A HEC A 104 2.316 -3.774 0.951 1.00 0.00 C HETATM 1701 C2A HEC A 104 0.898 -3.539 0.749 1.00 0.00 C HETATM 1702 C3A HEC A 104 0.734 -2.200 0.762 1.00 0.00 C HETATM 1703 C4A HEC A 104 2.020 -1.625 1.048 1.00 0.00 C HETATM 1704 CMA HEC A 104 -0.511 -1.461 0.418 1.00 0.00 C HETATM 1705 CAA HEC A 104 -0.206 -4.549 0.759 1.00 0.00 C HETATM 1706 CBA HEC A 104 -0.814 -4.754 -0.630 1.00 0.00 C HETATM 1707 CGA HEC A 104 -0.594 -6.200 -1.079 1.00 0.00 C HETATM 1708 O1A HEC A 104 0.541 -6.545 -1.359 1.00 0.00 O HETATM 1709 O2A HEC A 104 -1.565 -6.936 -1.137 1.00 0.00 O HETATM 1710 NB HEC A 104 4.639 -0.391 1.562 1.00 0.00 N HETATM 1711 C1B HEC A 104 3.465 0.304 1.384 1.00 0.00 C HETATM 1712 C2B HEC A 104 3.659 1.721 1.531 1.00 0.00 C HETATM 1713 C3B HEC A 104 4.976 1.916 1.741 1.00 0.00 C HETATM 1714 C4B HEC A 104 5.576 0.596 1.803 1.00 0.00 C HETATM 1715 CMB HEC A 104 2.594 2.745 1.674 1.00 0.00 C HETATM 1716 CAB HEC A 104 5.669 3.242 1.760 1.00 0.00 C HETATM 1717 CBB HEC A 104 5.188 4.137 2.904 1.00 0.00 C HETATM 1718 NC HEC A 104 6.819 -2.076 1.843 1.00 0.00 N HETATM 1719 C1C HEC A 104 7.492 -0.890 2.036 1.00 0.00 C HETATM 1720 C2C HEC A 104 8.892 -1.104 2.262 1.00 0.00 C HETATM 1721 C3C HEC A 104 9.108 -2.428 2.132 1.00 0.00 C HETATM 1722 C4C HEC A 104 7.807 -3.035 1.924 1.00 0.00 C HETATM 1723 CMC HEC A 104 9.871 -0.095 2.750 1.00 0.00 C HETATM 1724 CAC HEC A 104 10.442 -3.070 1.994 1.00 0.00 C HETATM 1725 CBC HEC A 104 11.201 -3.172 3.318 1.00 0.00 C HETATM 1726 ND HEC A 104 5.181 -4.269 1.422 1.00 0.00 N HETATM 1727 C1D HEC A 104 6.363 -4.966 1.548 1.00 0.00 C HETATM 1728 C2D HEC A 104 6.156 -6.387 1.419 1.00 0.00 C HETATM 1729 C3D HEC A 104 4.851 -6.563 1.144 1.00 0.00 C HETATM 1730 C4D HEC A 104 4.241 -5.252 1.188 1.00 0.00 C HETATM 1731 CMD HEC A 104 7.121 -7.460 1.766 1.00 0.00 C HETATM 1732 CAD HEC A 104 4.213 -7.847 0.733 1.00 0.00 C HETATM 1733 CBD HEC A 104 3.769 -8.676 1.931 1.00 0.00 C HETATM 1734 CGD HEC A 104 3.903 -10.164 1.598 1.00 0.00 C HETATM 1735 O1D HEC A 104 3.522 -10.544 0.502 1.00 0.00 O HETATM 1736 O2D HEC A 104 4.385 -10.898 2.444 1.00 0.00 O HETATM 0 HMD3 HEC A 104 8.027 -7.341 1.171 1.00 0.00 H new HETATM 0 HMD2 HEC A 104 7.371 -7.396 2.825 1.00 0.00 H new HETATM 0 HMD1 HEC A 104 6.675 -8.432 1.557 1.00 0.00 H new HETATM 0 HMC3 HEC A 104 9.908 0.742 2.053 1.00 0.00 H new HETATM 0 HMC2 HEC A 104 9.564 0.264 3.732 1.00 0.00 H new HETATM 0 HMC1 HEC A 104 10.858 -0.551 2.822 1.00 0.00 H new HETATM 0 HMB3 HEC A 104 1.948 2.724 0.796 1.00 0.00 H new HETATM 0 HMB2 HEC A 104 2.002 2.533 2.565 1.00 0.00 H new HETATM 0 HMB1 HEC A 104 3.048 3.732 1.767 1.00 0.00 H new HETATM 0 HMA3 HEC A 104 -0.795 -1.686 -0.610 1.00 0.00 H new HETATM 0 HMA2 HEC A 104 -1.313 -1.766 1.091 1.00 0.00 H new HETATM 0 HMA1 HEC A 104 -0.338 -0.390 0.521 1.00 0.00 H new HETATM 0 HBD2 HEC A 104 4.377 -8.431 2.802 1.00 0.00 H new HETATM 0 HBD1 HEC A 104 2.736 -8.441 2.187 1.00 0.00 H new HETATM 0 HBC3 HEC A 104 11.357 -2.173 3.726 1.00 0.00 H new HETATM 0 HBC2 HEC A 104 10.622 -3.766 4.025 1.00 0.00 H new HETATM 0 HBC1 HEC A 104 12.166 -3.650 3.148 1.00 0.00 H new HETATM 0 HBB3 HEC A 104 4.118 4.319 2.799 1.00 0.00 H new HETATM 0 HBB2 HEC A 104 5.380 3.644 3.857 1.00 0.00 H new HETATM 0 HBB1 HEC A 104 5.722 5.087 2.872 1.00 0.00 H new HETATM 0 HBA2 HEC A 104 -1.880 -4.528 -0.608 1.00 0.00 H new HETATM 0 HBA1 HEC A 104 -0.357 -4.068 -1.343 1.00 0.00 H new HETATM 0 HAD2 HEC A 104 3.352 -7.637 0.099 1.00 0.00 H new HETATM 0 HAD1 HEC A 104 4.916 -8.425 0.133 1.00 0.00 H new HETATM 0 HAA2 HEC A 104 0.177 -5.500 1.130 1.00 0.00 H new HETATM 0 HAA1 HEC A 104 -0.984 -4.227 1.451 1.00 0.00 H new HETATM 0 HHD HEC A 104 8.444 -5.051 1.876 1.00 0.00 H new HETATM 0 HHC HEC A 104 7.557 1.206 2.207 1.00 0.00 H new HETATM 0 HHB HEC A 104 1.389 0.383 1.036 1.00 0.00 H new HETATM 0 HHA HEC A 104 2.265 -5.877 0.801 1.00 0.00 H new