USER MOD reduce.3.24.130724 H: found=0, std=0, add=1028, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 1031 hydrogens (14 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: B 287 ALY H2 : B 287 ALY N : B 286 ILE C :(H bumps) USER MOD Set 1.1: A 6 GLN : amide:sc= -0.689 X(o=-3,f=-3.3) USER MOD Set 1.2: A 110 MET CE :methyl 143:sc= -2.34 (180deg=-4.44!) USER MOD Set 2.1: A 69 GLN : amide:sc= -0.0825 X(o=-0.082,f=-0.42) USER MOD Set 2.2: A 107 TYR OH : rot 180:sc= 0 USER MOD Set 3.1: A 82 CYS SG : rot 36:sc= 1 USER MOD Set 3.2: A 86 ASN : amide:sc= -4.59! C(o=-3.6!,f=-3.7!) USER MOD Set 4.1: A 59 LYS NZ :NH3+ 148:sc= 1.02 (180deg=0.556) USER MOD Set 4.2: A 65 TYR OH : rot 50:sc= -0.0206 USER MOD Set 5.1: A 31 LYS NZ :NH3+ -157:sc= -0.163 (180deg=-0.676) USER MOD Set 5.2: A 54 SER OG : rot 180:sc= 0 USER MOD Set 6.1: A 22 HIS : no HD1:sc= 0.251 K(o=0.29,f=-4.3!) USER MOD Set 6.2: A 25 TYR OH : rot -27:sc= 0.0395 USER MOD Set 7.1: A 10 CYS SG : rot -18:sc= -2.62! USER MOD Set 7.2: A 60 MET CE :methyl -158:sc= -3.8 (180deg=-1.67) USER MOD Single : A 1 GLY N :NH3+ -172:sc= 0 (180deg=-0.0624) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ 170:sc= -0.0034 (180deg=-0.138) USER MOD Single : A 9 HIS : no HD1:sc= -0.846 K(o=-0.85,f=-0.2) USER MOD Single : A 11 ASN : amide:sc= 1.06 K(o=1.1,f=0) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 SER OG : rot 22:sc= 1.16 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 LYS NZ :NH3+ 167:sc=-0.00117 (180deg=-0.11) USER MOD Single : A 30 TYR OH : rot -140:sc= -0.0656 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 41 HIS : no HD1:sc= -0.302 X(o=-0.3,f=-0.0044) USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 HIS : no HD1:sc= 0 X(o=0,f=-0.0015) USER MOD Single : A 48 LYS NZ :NH3+ -165:sc= -0.0397 (180deg=-0.309) USER MOD Single : A 49 HIS : no HD1:sc= -0.105 X(o=-0.1,f=-0.25) USER MOD Single : A 51 MET CE :methyl 153:sc= -0.061 (180deg=-0.45) USER MOD Single : A 55 THR OG1 : rot 138:sc= 1.09 USER MOD Single : A 57 LYS NZ :NH3+ 153:sc= -0.956 (180deg=-1.85!) USER MOD Single : A 62 ASN : amide:sc= -2.11! K(o=-2.1!,f=-0.06) USER MOD Single : A 78 MET CE :methyl -129:sc= -0.504 (180deg=-3.22!) USER MOD Single : A 80 SER OG : rot 69:sc= 1.23 USER MOD Single : A 81 ASN : amide:sc= -3.41! C(o=-3.4!,f=-3.4!) USER MOD Single : A 83 TYR OH : rot 180:sc= -0.0457 USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 TYR OH : rot -103:sc= 0.918 USER MOD Single : A 90 HIS : no HE2:sc= 1.03 K(o=1,f=-5.4!) USER MOD Single : A 95 MET CE :methyl -115:sc= -2.39! (180deg=-4.87!) USER MOD Single : A 98 LYS NZ :NH3+ 163:sc= -0.0969 (180deg=-0.498) USER MOD Single : A 100 GLN : amide:sc= -0.081 K(o=-0.081,f=-0.62) USER MOD Single : A 109 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 281 HIS : no HD1:sc= 0 X(o=0,f=-0.14) USER MOD Single : B 282 ASN : amide:sc= 0 K(o=0,f=-0.62) USER MOD Single : B 288 GLN : amide:sc= -1.38! K(o=-1.4!,f=-0.056) USER MOD Single : B 291 GLN : amide:sc= 0 X(o=0,f=-0.34) USER MOD Single : B 292 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 22.560 9.569 -2.268 1.00 0.00 N ATOM 2 CA GLY A 1 21.553 10.022 -3.260 1.00 0.00 C ATOM 3 C GLY A 1 21.192 8.936 -4.258 1.00 0.00 C ATOM 4 O GLY A 1 20.039 8.820 -4.671 1.00 0.00 O ATOM 0 H1 GLY A 1 22.673 10.295 -1.531 1.00 0.00 H new ATOM 0 H2 GLY A 1 22.242 8.680 -1.832 1.00 0.00 H new ATOM 0 H3 GLY A 1 23.472 9.415 -2.744 1.00 0.00 H new ATOM 0 HA2 GLY A 1 20.653 10.345 -2.738 1.00 0.00 H new ATOM 0 HA3 GLY A 1 21.939 10.889 -3.795 1.00 0.00 H new ATOM 10 N LYS A 2 22.170 8.124 -4.637 1.00 0.00 N ATOM 11 CA LYS A 2 21.950 7.047 -5.593 1.00 0.00 C ATOM 12 C LYS A 2 21.466 5.779 -4.896 1.00 0.00 C ATOM 13 O LYS A 2 21.868 4.675 -5.258 1.00 0.00 O ATOM 14 CB LYS A 2 23.228 6.761 -6.380 1.00 0.00 C ATOM 15 CG LYS A 2 23.583 7.850 -7.377 1.00 0.00 C ATOM 16 CD LYS A 2 22.543 7.939 -8.482 1.00 0.00 C ATOM 17 CE LYS A 2 22.869 9.029 -9.487 1.00 0.00 C ATOM 18 NZ LYS A 2 21.883 9.060 -10.598 1.00 0.00 N ATOM 0 H LYS A 2 23.128 8.192 -4.295 1.00 0.00 H new ATOM 0 HA LYS A 2 21.173 7.370 -6.286 1.00 0.00 H new ATOM 0 HB2 LYS A 2 24.055 6.636 -5.681 1.00 0.00 H new ATOM 0 HB3 LYS A 2 23.114 5.816 -6.911 1.00 0.00 H new ATOM 0 HG2 LYS A 2 23.655 8.809 -6.863 1.00 0.00 H new ATOM 0 HG3 LYS A 2 24.562 7.646 -7.810 1.00 0.00 H new ATOM 0 HD2 LYS A 2 22.478 6.980 -8.996 1.00 0.00 H new ATOM 0 HD3 LYS A 2 21.564 8.132 -8.043 1.00 0.00 H new ATOM 0 HE2 LYS A 2 22.882 9.996 -8.984 1.00 0.00 H new ATOM 0 HE3 LYS A 2 23.868 8.866 -9.891 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 22.136 9.816 -11.266 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 21.888 8.145 -11.093 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 20.933 9.241 -10.214 1.00 0.00 H new ATOM 32 N LEU A 3 20.586 5.962 -3.915 1.00 0.00 N ATOM 33 CA LEU A 3 20.022 4.865 -3.133 1.00 0.00 C ATOM 34 C LEU A 3 21.088 4.165 -2.301 1.00 0.00 C ATOM 35 O LEU A 3 21.853 3.340 -2.803 1.00 0.00 O ATOM 36 CB LEU A 3 19.313 3.836 -4.017 1.00 0.00 C ATOM 37 CG LEU A 3 18.086 4.337 -4.775 1.00 0.00 C ATOM 38 CD1 LEU A 3 17.576 3.257 -5.717 1.00 0.00 C ATOM 39 CD2 LEU A 3 16.993 4.753 -3.801 1.00 0.00 C ATOM 0 H LEU A 3 20.242 6.882 -3.638 1.00 0.00 H new ATOM 0 HA LEU A 3 19.287 5.314 -2.465 1.00 0.00 H new ATOM 0 HB2 LEU A 3 20.031 3.452 -4.741 1.00 0.00 H new ATOM 0 HB3 LEU A 3 19.011 2.996 -3.392 1.00 0.00 H new ATOM 0 HG LEU A 3 18.371 5.209 -5.364 1.00 0.00 H new ATOM 0 HD11 LEU A 3 16.701 3.625 -6.253 1.00 0.00 H new ATOM 0 HD12 LEU A 3 18.357 2.999 -6.432 1.00 0.00 H new ATOM 0 HD13 LEU A 3 17.304 2.372 -5.142 1.00 0.00 H new ATOM 0 HD21 LEU A 3 16.125 5.108 -4.357 1.00 0.00 H new ATOM 0 HD22 LEU A 3 16.707 3.898 -3.189 1.00 0.00 H new ATOM 0 HD23 LEU A 3 17.363 5.552 -3.158 1.00 0.00 H new ATOM 51 N SER A 4 21.125 4.500 -1.028 1.00 0.00 N ATOM 52 CA SER A 4 21.993 3.824 -0.084 1.00 0.00 C ATOM 53 C SER A 4 21.429 2.435 0.222 1.00 0.00 C ATOM 54 O SER A 4 20.361 2.086 -0.276 1.00 0.00 O ATOM 55 CB SER A 4 22.112 4.664 1.188 1.00 0.00 C ATOM 56 OG SER A 4 22.447 6.006 0.874 1.00 0.00 O ATOM 0 H SER A 4 20.559 5.243 -0.620 1.00 0.00 H new ATOM 0 HA SER A 4 22.989 3.703 -0.510 1.00 0.00 H new ATOM 0 HB2 SER A 4 21.170 4.638 1.736 1.00 0.00 H new ATOM 0 HB3 SER A 4 22.873 4.237 1.841 1.00 0.00 H new ATOM 0 HG SER A 4 22.517 6.528 1.701 1.00 0.00 H new ATOM 62 N GLU A 5 22.130 1.656 1.041 1.00 0.00 N ATOM 63 CA GLU A 5 21.738 0.272 1.337 1.00 0.00 C ATOM 64 C GLU A 5 20.263 0.167 1.731 1.00 0.00 C ATOM 65 O GLU A 5 19.515 -0.636 1.171 1.00 0.00 O ATOM 66 CB GLU A 5 22.613 -0.296 2.456 1.00 0.00 C ATOM 67 CG GLU A 5 22.408 -1.782 2.687 1.00 0.00 C ATOM 68 CD GLU A 5 22.632 -2.595 1.428 1.00 0.00 C ATOM 69 OE1 GLU A 5 23.744 -2.532 0.864 1.00 0.00 O ATOM 70 OE2 GLU A 5 21.695 -3.301 0.993 1.00 0.00 O ATOM 0 H GLU A 5 22.980 1.958 1.517 1.00 0.00 H new ATOM 0 HA GLU A 5 21.883 -0.309 0.426 1.00 0.00 H new ATOM 0 HB2 GLU A 5 23.661 -0.114 2.215 1.00 0.00 H new ATOM 0 HB3 GLU A 5 22.401 0.240 3.381 1.00 0.00 H new ATOM 0 HG2 GLU A 5 23.091 -2.124 3.464 1.00 0.00 H new ATOM 0 HG3 GLU A 5 21.396 -1.954 3.053 1.00 0.00 H new ATOM 77 N GLN A 6 19.849 0.996 2.679 1.00 0.00 N ATOM 78 CA GLN A 6 18.474 0.975 3.170 1.00 0.00 C ATOM 79 C GLN A 6 17.492 1.318 2.048 1.00 0.00 C ATOM 80 O GLN A 6 16.456 0.674 1.902 1.00 0.00 O ATOM 81 CB GLN A 6 18.301 1.952 4.344 1.00 0.00 C ATOM 82 CG GLN A 6 18.858 1.463 5.684 1.00 0.00 C ATOM 83 CD GLN A 6 20.187 0.737 5.573 1.00 0.00 C ATOM 84 OE1 GLN A 6 21.247 1.356 5.607 1.00 0.00 O ATOM 85 NE2 GLN A 6 20.140 -0.581 5.467 1.00 0.00 N ATOM 0 H GLN A 6 20.445 1.693 3.125 1.00 0.00 H new ATOM 0 HA GLN A 6 18.258 -0.033 3.523 1.00 0.00 H new ATOM 0 HB2 GLN A 6 18.787 2.893 4.088 1.00 0.00 H new ATOM 0 HB3 GLN A 6 17.239 2.165 4.466 1.00 0.00 H new ATOM 0 HG2 GLN A 6 18.977 2.318 6.350 1.00 0.00 H new ATOM 0 HG3 GLN A 6 18.130 0.797 6.147 1.00 0.00 H new ATOM 0 HE21 GLN A 6 19.239 -1.059 5.442 1.00 0.00 H new ATOM 0 HE22 GLN A 6 21.005 -1.119 5.410 1.00 0.00 H new ATOM 94 N LEU A 7 17.841 2.309 1.232 1.00 0.00 N ATOM 95 CA LEU A 7 16.953 2.755 0.161 1.00 0.00 C ATOM 96 C LEU A 7 16.996 1.799 -1.030 1.00 0.00 C ATOM 97 O LEU A 7 16.065 1.739 -1.831 1.00 0.00 O ATOM 98 CB LEU A 7 17.303 4.175 -0.279 1.00 0.00 C ATOM 99 CG LEU A 7 17.074 5.245 0.785 1.00 0.00 C ATOM 100 CD1 LEU A 7 17.642 6.576 0.324 1.00 0.00 C ATOM 101 CD2 LEU A 7 15.592 5.382 1.102 1.00 0.00 C ATOM 0 H LEU A 7 18.725 2.815 1.290 1.00 0.00 H new ATOM 0 HA LEU A 7 15.936 2.756 0.554 1.00 0.00 H new ATOM 0 HB2 LEU A 7 18.350 4.200 -0.581 1.00 0.00 H new ATOM 0 HB3 LEU A 7 16.711 4.425 -1.160 1.00 0.00 H new ATOM 0 HG LEU A 7 17.591 4.940 1.695 1.00 0.00 H new ATOM 0 HD11 LEU A 7 17.472 7.330 1.092 1.00 0.00 H new ATOM 0 HD12 LEU A 7 18.713 6.473 0.148 1.00 0.00 H new ATOM 0 HD13 LEU A 7 17.150 6.881 -0.599 1.00 0.00 H new ATOM 0 HD21 LEU A 7 15.452 6.150 1.863 1.00 0.00 H new ATOM 0 HD22 LEU A 7 15.051 5.663 0.198 1.00 0.00 H new ATOM 0 HD23 LEU A 7 15.210 4.431 1.472 1.00 0.00 H new ATOM 113 N LYS A 8 18.072 1.050 -1.152 1.00 0.00 N ATOM 114 CA LYS A 8 18.141 0.008 -2.158 1.00 0.00 C ATOM 115 C LYS A 8 17.264 -1.158 -1.732 1.00 0.00 C ATOM 116 O LYS A 8 16.613 -1.797 -2.556 1.00 0.00 O ATOM 117 CB LYS A 8 19.585 -0.445 -2.373 1.00 0.00 C ATOM 118 CG LYS A 8 19.738 -1.564 -3.397 1.00 0.00 C ATOM 119 CD LYS A 8 19.178 -1.179 -4.762 1.00 0.00 C ATOM 120 CE LYS A 8 19.911 0.005 -5.371 1.00 0.00 C ATOM 121 NZ LYS A 8 21.348 -0.290 -5.608 1.00 0.00 N ATOM 0 H LYS A 8 18.906 1.141 -0.572 1.00 0.00 H new ATOM 0 HA LYS A 8 17.776 0.401 -3.107 1.00 0.00 H new ATOM 0 HB2 LYS A 8 20.179 0.411 -2.693 1.00 0.00 H new ATOM 0 HB3 LYS A 8 19.996 -0.780 -1.420 1.00 0.00 H new ATOM 0 HG2 LYS A 8 20.793 -1.819 -3.498 1.00 0.00 H new ATOM 0 HG3 LYS A 8 19.227 -2.457 -3.036 1.00 0.00 H new ATOM 0 HD2 LYS A 8 19.248 -2.033 -5.436 1.00 0.00 H new ATOM 0 HD3 LYS A 8 18.120 -0.937 -4.663 1.00 0.00 H new ATOM 0 HE2 LYS A 8 19.437 0.278 -6.314 1.00 0.00 H new ATOM 0 HE3 LYS A 8 19.822 0.866 -4.708 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 21.770 0.473 -6.174 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 21.843 -0.359 -4.696 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 21.438 -1.191 -6.120 1.00 0.00 H new ATOM 135 N HIS A 9 17.224 -1.412 -0.432 1.00 0.00 N ATOM 136 CA HIS A 9 16.388 -2.476 0.095 1.00 0.00 C ATOM 137 C HIS A 9 14.918 -2.075 0.035 1.00 0.00 C ATOM 138 O HIS A 9 14.046 -2.927 -0.138 1.00 0.00 O ATOM 139 CB HIS A 9 16.780 -2.830 1.530 1.00 0.00 C ATOM 140 CG HIS A 9 16.641 -4.293 1.827 1.00 0.00 C ATOM 141 ND1 HIS A 9 17.709 -5.101 2.147 1.00 0.00 N ATOM 142 CD2 HIS A 9 15.550 -5.093 1.846 1.00 0.00 C ATOM 143 CE1 HIS A 9 17.282 -6.333 2.346 1.00 0.00 C ATOM 144 NE2 HIS A 9 15.974 -6.356 2.172 1.00 0.00 N ATOM 0 H HIS A 9 17.757 -0.899 0.271 1.00 0.00 H new ATOM 0 HA HIS A 9 16.541 -3.359 -0.525 1.00 0.00 H new ATOM 0 HB2 HIS A 9 17.812 -2.525 1.706 1.00 0.00 H new ATOM 0 HB3 HIS A 9 16.158 -2.263 2.222 1.00 0.00 H new ATOM 0 HD2 HIS A 9 14.533 -4.792 1.642 1.00 0.00 H new ATOM 0 HE1 HIS A 9 17.899 -7.180 2.607 1.00 0.00 H new ATOM 0 HE2 HIS A 9 15.377 -7.178 2.265 1.00 0.00 H new ATOM 153 N CYS A 10 14.641 -0.779 0.171 1.00 0.00 N ATOM 154 CA CYS A 10 13.272 -0.290 0.052 1.00 0.00 C ATOM 155 C CYS A 10 12.822 -0.375 -1.397 1.00 0.00 C ATOM 156 O CYS A 10 11.638 -0.554 -1.682 1.00 0.00 O ATOM 157 CB CYS A 10 13.126 1.142 0.592 1.00 0.00 C ATOM 158 SG CYS A 10 13.757 2.460 -0.468 1.00 0.00 S ATOM 0 H CYS A 10 15.337 -0.058 0.361 1.00 0.00 H new ATOM 0 HA CYS A 10 12.630 -0.924 0.663 1.00 0.00 H new ATOM 0 HB2 CYS A 10 12.069 1.331 0.782 1.00 0.00 H new ATOM 0 HB3 CYS A 10 13.638 1.200 1.553 1.00 0.00 H new ATOM 0 HG CYS A 10 14.579 1.959 -1.341 1.00 0.00 H new ATOM 164 N ASN A 11 13.783 -0.283 -2.310 1.00 0.00 N ATOM 165 CA ASN A 11 13.501 -0.421 -3.728 1.00 0.00 C ATOM 166 C ASN A 11 13.186 -1.877 -4.051 1.00 0.00 C ATOM 167 O ASN A 11 12.286 -2.173 -4.836 1.00 0.00 O ATOM 168 CB ASN A 11 14.701 0.054 -4.555 1.00 0.00 C ATOM 169 CG ASN A 11 14.395 0.141 -6.039 1.00 0.00 C ATOM 170 OD1 ASN A 11 14.575 -0.823 -6.784 1.00 0.00 O ATOM 171 ND2 ASN A 11 13.934 1.303 -6.476 1.00 0.00 N ATOM 0 H ASN A 11 14.764 -0.113 -2.090 1.00 0.00 H new ATOM 0 HA ASN A 11 12.638 0.195 -3.980 1.00 0.00 H new ATOM 0 HB2 ASN A 11 15.019 1.033 -4.196 1.00 0.00 H new ATOM 0 HB3 ASN A 11 15.536 -0.629 -4.400 1.00 0.00 H new ATOM 0 HD21 ASN A 11 13.713 1.425 -7.464 1.00 0.00 H new ATOM 0 HD22 ASN A 11 13.800 2.076 -5.824 1.00 0.00 H new ATOM 178 N GLY A 12 13.920 -2.778 -3.403 1.00 0.00 N ATOM 179 CA GLY A 12 13.762 -4.200 -3.646 1.00 0.00 C ATOM 180 C GLY A 12 12.442 -4.744 -3.137 1.00 0.00 C ATOM 181 O GLY A 12 11.744 -5.464 -3.853 1.00 0.00 O ATOM 0 H GLY A 12 14.628 -2.544 -2.707 1.00 0.00 H new ATOM 0 HA2 GLY A 12 13.839 -4.391 -4.716 1.00 0.00 H new ATOM 0 HA3 GLY A 12 14.580 -4.738 -3.167 1.00 0.00 H new ATOM 185 N ILE A 13 12.100 -4.412 -1.895 1.00 0.00 N ATOM 186 CA ILE A 13 10.842 -4.846 -1.310 1.00 0.00 C ATOM 187 C ILE A 13 9.652 -4.297 -2.088 1.00 0.00 C ATOM 188 O ILE A 13 8.687 -5.016 -2.354 1.00 0.00 O ATOM 189 CB ILE A 13 10.749 -4.433 0.168 1.00 0.00 C ATOM 190 CG1 ILE A 13 11.894 -5.086 0.941 1.00 0.00 C ATOM 191 CG2 ILE A 13 9.395 -4.808 0.756 1.00 0.00 C ATOM 192 CD1 ILE A 13 11.726 -5.067 2.439 1.00 0.00 C ATOM 0 H ILE A 13 12.679 -3.844 -1.277 1.00 0.00 H new ATOM 0 HA ILE A 13 10.814 -5.934 -1.367 1.00 0.00 H new ATOM 0 HB ILE A 13 10.840 -3.350 0.248 1.00 0.00 H new ATOM 0 HG12 ILE A 13 11.995 -6.120 0.612 1.00 0.00 H new ATOM 0 HG13 ILE A 13 12.824 -4.579 0.686 1.00 0.00 H new ATOM 0 HG21 ILE A 13 9.356 -4.505 1.802 1.00 0.00 H new ATOM 0 HG22 ILE A 13 8.605 -4.302 0.202 1.00 0.00 H new ATOM 0 HG23 ILE A 13 9.254 -5.887 0.685 1.00 0.00 H new ATOM 0 HD11 ILE A 13 12.583 -5.551 2.907 1.00 0.00 H new ATOM 0 HD12 ILE A 13 11.658 -4.035 2.784 1.00 0.00 H new ATOM 0 HD13 ILE A 13 10.815 -5.601 2.710 1.00 0.00 H new ATOM 204 N LEU A 14 9.731 -3.026 -2.458 1.00 0.00 N ATOM 205 CA LEU A 14 8.699 -2.400 -3.278 1.00 0.00 C ATOM 206 C LEU A 14 8.549 -3.156 -4.592 1.00 0.00 C ATOM 207 O LEU A 14 7.443 -3.482 -5.014 1.00 0.00 O ATOM 208 CB LEU A 14 9.053 -0.944 -3.566 1.00 0.00 C ATOM 209 CG LEU A 14 7.889 0.028 -3.476 1.00 0.00 C ATOM 210 CD1 LEU A 14 8.416 1.444 -3.495 1.00 0.00 C ATOM 211 CD2 LEU A 14 6.904 -0.173 -4.613 1.00 0.00 C ATOM 0 H LEU A 14 10.500 -2.406 -2.203 1.00 0.00 H new ATOM 0 HA LEU A 14 7.757 -2.432 -2.730 1.00 0.00 H new ATOM 0 HB2 LEU A 14 9.826 -0.628 -2.866 1.00 0.00 H new ATOM 0 HB3 LEU A 14 9.483 -0.881 -4.565 1.00 0.00 H new ATOM 0 HG LEU A 14 7.359 -0.160 -2.542 1.00 0.00 H new ATOM 0 HD11 LEU A 14 7.582 2.143 -3.431 1.00 0.00 H new ATOM 0 HD12 LEU A 14 9.083 1.595 -2.646 1.00 0.00 H new ATOM 0 HD13 LEU A 14 8.963 1.616 -4.422 1.00 0.00 H new ATOM 0 HD21 LEU A 14 6.085 0.540 -4.515 1.00 0.00 H new ATOM 0 HD22 LEU A 14 7.410 -0.016 -5.565 1.00 0.00 H new ATOM 0 HD23 LEU A 14 6.508 -1.188 -4.576 1.00 0.00 H new ATOM 223 N LYS A 15 9.684 -3.429 -5.220 1.00 0.00 N ATOM 224 CA LYS A 15 9.744 -4.197 -6.444 1.00 0.00 C ATOM 225 C LYS A 15 9.047 -5.544 -6.281 1.00 0.00 C ATOM 226 O LYS A 15 8.370 -6.018 -7.190 1.00 0.00 O ATOM 227 CB LYS A 15 11.215 -4.371 -6.822 1.00 0.00 C ATOM 228 CG LYS A 15 11.543 -5.714 -7.421 1.00 0.00 C ATOM 229 CD LYS A 15 11.206 -5.788 -8.894 1.00 0.00 C ATOM 230 CE LYS A 15 11.935 -6.945 -9.540 1.00 0.00 C ATOM 231 NZ LYS A 15 11.443 -7.224 -10.912 1.00 0.00 N ATOM 0 H LYS A 15 10.596 -3.118 -4.886 1.00 0.00 H new ATOM 0 HA LYS A 15 9.220 -3.671 -7.242 1.00 0.00 H new ATOM 0 HB2 LYS A 15 11.491 -3.592 -7.532 1.00 0.00 H new ATOM 0 HB3 LYS A 15 11.827 -4.223 -5.932 1.00 0.00 H new ATOM 0 HG2 LYS A 15 12.604 -5.920 -7.283 1.00 0.00 H new ATOM 0 HG3 LYS A 15 10.995 -6.490 -6.887 1.00 0.00 H new ATOM 0 HD2 LYS A 15 10.130 -5.909 -9.023 1.00 0.00 H new ATOM 0 HD3 LYS A 15 11.483 -4.855 -9.385 1.00 0.00 H new ATOM 0 HE2 LYS A 15 13.002 -6.725 -9.577 1.00 0.00 H new ATOM 0 HE3 LYS A 15 11.815 -7.837 -8.925 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 11.972 -8.024 -11.314 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 10.431 -7.460 -10.876 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 11.581 -6.383 -11.508 1.00 0.00 H new ATOM 245 N GLU A 16 9.193 -6.134 -5.107 1.00 0.00 N ATOM 246 CA GLU A 16 8.611 -7.444 -4.831 1.00 0.00 C ATOM 247 C GLU A 16 7.097 -7.343 -4.722 1.00 0.00 C ATOM 248 O GLU A 16 6.369 -8.131 -5.322 1.00 0.00 O ATOM 249 CB GLU A 16 9.177 -8.051 -3.549 1.00 0.00 C ATOM 250 CG GLU A 16 8.684 -9.466 -3.293 1.00 0.00 C ATOM 251 CD GLU A 16 9.217 -10.456 -4.302 1.00 0.00 C ATOM 252 OE1 GLU A 16 10.353 -10.265 -4.787 1.00 0.00 O ATOM 253 OE2 GLU A 16 8.509 -11.439 -4.598 1.00 0.00 O ATOM 0 H GLU A 16 9.710 -5.729 -4.326 1.00 0.00 H new ATOM 0 HA GLU A 16 8.872 -8.097 -5.664 1.00 0.00 H new ATOM 0 HB2 GLU A 16 10.265 -8.056 -3.606 1.00 0.00 H new ATOM 0 HB3 GLU A 16 8.905 -7.419 -2.704 1.00 0.00 H new ATOM 0 HG2 GLU A 16 8.983 -9.776 -2.292 1.00 0.00 H new ATOM 0 HG3 GLU A 16 7.594 -9.478 -3.318 1.00 0.00 H new ATOM 260 N LEU A 17 6.626 -6.364 -3.961 1.00 0.00 N ATOM 261 CA LEU A 17 5.191 -6.129 -3.812 1.00 0.00 C ATOM 262 C LEU A 17 4.578 -5.758 -5.166 1.00 0.00 C ATOM 263 O LEU A 17 3.396 -5.990 -5.417 1.00 0.00 O ATOM 264 CB LEU A 17 4.942 -5.017 -2.779 1.00 0.00 C ATOM 265 CG LEU A 17 5.484 -5.289 -1.372 1.00 0.00 C ATOM 266 CD1 LEU A 17 5.659 -3.982 -0.625 1.00 0.00 C ATOM 267 CD2 LEU A 17 4.548 -6.203 -0.592 1.00 0.00 C ATOM 0 H LEU A 17 7.215 -5.718 -3.436 1.00 0.00 H new ATOM 0 HA LEU A 17 4.715 -7.042 -3.455 1.00 0.00 H new ATOM 0 HB2 LEU A 17 5.389 -4.095 -3.149 1.00 0.00 H new ATOM 0 HB3 LEU A 17 3.868 -4.845 -2.708 1.00 0.00 H new ATOM 0 HG LEU A 17 6.449 -5.787 -1.470 1.00 0.00 H new ATOM 0 HD11 LEU A 17 6.045 -4.183 0.375 1.00 0.00 H new ATOM 0 HD12 LEU A 17 6.361 -3.346 -1.164 1.00 0.00 H new ATOM 0 HD13 LEU A 17 4.697 -3.476 -0.548 1.00 0.00 H new ATOM 0 HD21 LEU A 17 4.957 -6.379 0.403 1.00 0.00 H new ATOM 0 HD22 LEU A 17 3.569 -5.731 -0.503 1.00 0.00 H new ATOM 0 HD23 LEU A 17 4.447 -7.153 -1.116 1.00 0.00 H new ATOM 279 N LEU A 18 5.410 -5.211 -6.044 1.00 0.00 N ATOM 280 CA LEU A 18 4.987 -4.829 -7.387 1.00 0.00 C ATOM 281 C LEU A 18 5.170 -5.970 -8.384 1.00 0.00 C ATOM 282 O LEU A 18 4.717 -5.889 -9.526 1.00 0.00 O ATOM 283 CB LEU A 18 5.783 -3.624 -7.864 1.00 0.00 C ATOM 284 CG LEU A 18 5.464 -2.318 -7.149 1.00 0.00 C ATOM 285 CD1 LEU A 18 6.301 -1.193 -7.722 1.00 0.00 C ATOM 286 CD2 LEU A 18 3.987 -1.985 -7.257 1.00 0.00 C ATOM 0 H LEU A 18 6.392 -5.020 -5.847 1.00 0.00 H new ATOM 0 HA LEU A 18 3.927 -4.582 -7.334 1.00 0.00 H new ATOM 0 HB2 LEU A 18 6.845 -3.838 -7.742 1.00 0.00 H new ATOM 0 HB3 LEU A 18 5.605 -3.489 -8.931 1.00 0.00 H new ATOM 0 HG LEU A 18 5.706 -2.438 -6.093 1.00 0.00 H new ATOM 0 HD11 LEU A 18 6.065 -0.264 -7.204 1.00 0.00 H new ATOM 0 HD12 LEU A 18 7.358 -1.423 -7.591 1.00 0.00 H new ATOM 0 HD13 LEU A 18 6.083 -1.082 -8.784 1.00 0.00 H new ATOM 0 HD21 LEU A 18 3.786 -1.048 -6.738 1.00 0.00 H new ATOM 0 HD22 LEU A 18 3.713 -1.884 -8.307 1.00 0.00 H new ATOM 0 HD23 LEU A 18 3.400 -2.784 -6.804 1.00 0.00 H new ATOM 298 N SER A 19 5.867 -7.010 -7.966 1.00 0.00 N ATOM 299 CA SER A 19 6.092 -8.176 -8.810 1.00 0.00 C ATOM 300 C SER A 19 4.784 -8.918 -9.070 1.00 0.00 C ATOM 301 O SER A 19 3.921 -9.024 -8.193 1.00 0.00 O ATOM 302 CB SER A 19 7.108 -9.115 -8.159 1.00 0.00 C ATOM 303 OG SER A 19 8.379 -8.494 -8.047 1.00 0.00 O ATOM 0 H SER A 19 6.291 -7.074 -7.041 1.00 0.00 H new ATOM 0 HA SER A 19 6.489 -7.833 -9.765 1.00 0.00 H new ATOM 0 HB2 SER A 19 6.755 -9.409 -7.170 1.00 0.00 H new ATOM 0 HB3 SER A 19 7.196 -10.027 -8.750 1.00 0.00 H new ATOM 0 HG SER A 19 8.271 -7.520 -8.070 1.00 0.00 H new ATOM 309 N LYS A 20 4.668 -9.446 -10.290 1.00 0.00 N ATOM 310 CA LYS A 20 3.457 -10.115 -10.756 1.00 0.00 C ATOM 311 C LYS A 20 3.131 -11.319 -9.882 1.00 0.00 C ATOM 312 O LYS A 20 1.982 -11.758 -9.812 1.00 0.00 O ATOM 313 CB LYS A 20 3.633 -10.556 -12.209 1.00 0.00 C ATOM 314 CG LYS A 20 2.322 -10.701 -12.960 1.00 0.00 C ATOM 315 CD LYS A 20 1.717 -9.344 -13.283 1.00 0.00 C ATOM 316 CE LYS A 20 0.460 -9.483 -14.124 1.00 0.00 C ATOM 317 NZ LYS A 20 -0.091 -8.162 -14.523 1.00 0.00 N ATOM 0 H LYS A 20 5.416 -9.420 -10.983 1.00 0.00 H new ATOM 0 HA LYS A 20 2.628 -9.411 -10.691 1.00 0.00 H new ATOM 0 HB2 LYS A 20 4.261 -9.831 -12.727 1.00 0.00 H new ATOM 0 HB3 LYS A 20 4.162 -11.509 -12.230 1.00 0.00 H new ATOM 0 HG2 LYS A 20 2.489 -11.256 -13.883 1.00 0.00 H new ATOM 0 HG3 LYS A 20 1.620 -11.281 -12.361 1.00 0.00 H new ATOM 0 HD2 LYS A 20 1.481 -8.820 -12.357 1.00 0.00 H new ATOM 0 HD3 LYS A 20 2.448 -8.736 -13.816 1.00 0.00 H new ATOM 0 HE2 LYS A 20 0.684 -10.067 -15.017 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -0.293 -10.035 -13.562 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -0.948 -8.302 -15.095 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -0.329 -7.614 -13.672 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 0.618 -7.645 -15.081 1.00 0.00 H new ATOM 331 N LYS A 21 4.158 -11.843 -9.225 1.00 0.00 N ATOM 332 CA LYS A 21 4.007 -12.920 -8.257 1.00 0.00 C ATOM 333 C LYS A 21 2.991 -12.550 -7.174 1.00 0.00 C ATOM 334 O LYS A 21 2.199 -13.384 -6.736 1.00 0.00 O ATOM 335 CB LYS A 21 5.366 -13.220 -7.617 1.00 0.00 C ATOM 336 CG LYS A 21 5.297 -14.162 -6.428 1.00 0.00 C ATOM 337 CD LYS A 21 6.652 -14.338 -5.777 1.00 0.00 C ATOM 338 CE LYS A 21 6.634 -15.525 -4.837 1.00 0.00 C ATOM 339 NZ LYS A 21 6.664 -16.817 -5.572 1.00 0.00 N ATOM 0 H LYS A 21 5.121 -11.532 -9.349 1.00 0.00 H new ATOM 0 HA LYS A 21 3.639 -13.805 -8.776 1.00 0.00 H new ATOM 0 HB2 LYS A 21 6.023 -13.652 -8.371 1.00 0.00 H new ATOM 0 HB3 LYS A 21 5.820 -12.282 -7.298 1.00 0.00 H new ATOM 0 HG2 LYS A 21 4.589 -13.774 -5.696 1.00 0.00 H new ATOM 0 HG3 LYS A 21 4.920 -15.132 -6.753 1.00 0.00 H new ATOM 0 HD2 LYS A 21 7.414 -14.483 -6.542 1.00 0.00 H new ATOM 0 HD3 LYS A 21 6.919 -13.435 -5.228 1.00 0.00 H new ATOM 0 HE2 LYS A 21 7.491 -15.469 -4.166 1.00 0.00 H new ATOM 0 HE3 LYS A 21 5.740 -15.482 -4.216 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 6.871 -17.590 -4.908 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 5.740 -16.984 -6.019 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 7.402 -16.783 -6.304 1.00 0.00 H new ATOM 353 N HIS A 22 3.005 -11.288 -6.761 1.00 0.00 N ATOM 354 CA HIS A 22 2.141 -10.837 -5.679 1.00 0.00 C ATOM 355 C HIS A 22 0.974 -10.042 -6.235 1.00 0.00 C ATOM 356 O HIS A 22 -0.010 -9.826 -5.540 1.00 0.00 O ATOM 357 CB HIS A 22 2.927 -9.986 -4.663 1.00 0.00 C ATOM 358 CG HIS A 22 4.094 -10.714 -4.056 1.00 0.00 C ATOM 359 ND1 HIS A 22 3.996 -11.514 -2.928 1.00 0.00 N ATOM 360 CD2 HIS A 22 5.389 -10.774 -4.440 1.00 0.00 C ATOM 361 CE1 HIS A 22 5.182 -12.028 -2.650 1.00 0.00 C ATOM 362 NE2 HIS A 22 6.042 -11.595 -3.554 1.00 0.00 N ATOM 0 H HIS A 22 3.603 -10.563 -7.157 1.00 0.00 H new ATOM 0 HA HIS A 22 1.757 -11.717 -5.162 1.00 0.00 H new ATOM 0 HB2 HIS A 22 3.287 -9.084 -5.157 1.00 0.00 H new ATOM 0 HB3 HIS A 22 2.253 -9.667 -3.868 1.00 0.00 H new ATOM 0 HD2 HIS A 22 5.829 -10.269 -5.287 1.00 0.00 H new ATOM 0 HE1 HIS A 22 5.408 -12.688 -1.826 1.00 0.00 H new ATOM 0 HE2 HIS A 22 7.033 -11.833 -3.589 1.00 0.00 H new ATOM 371 N ALA A 23 1.083 -9.648 -7.505 1.00 0.00 N ATOM 372 CA ALA A 23 0.088 -8.802 -8.166 1.00 0.00 C ATOM 373 C ALA A 23 -1.336 -9.306 -7.975 1.00 0.00 C ATOM 374 O ALA A 23 -2.260 -8.511 -7.849 1.00 0.00 O ATOM 375 CB ALA A 23 0.410 -8.695 -9.642 1.00 0.00 C ATOM 0 H ALA A 23 1.866 -9.907 -8.105 1.00 0.00 H new ATOM 0 HA ALA A 23 0.138 -7.818 -7.699 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -0.332 -8.065 -10.132 1.00 0.00 H new ATOM 0 HB2 ALA A 23 1.399 -8.255 -9.768 1.00 0.00 H new ATOM 0 HB3 ALA A 23 0.395 -9.688 -10.091 1.00 0.00 H new ATOM 381 N ALA A 24 -1.492 -10.625 -7.929 1.00 0.00 N ATOM 382 CA ALA A 24 -2.797 -11.258 -7.745 1.00 0.00 C ATOM 383 C ALA A 24 -3.524 -10.720 -6.508 1.00 0.00 C ATOM 384 O ALA A 24 -4.753 -10.699 -6.454 1.00 0.00 O ATOM 385 CB ALA A 24 -2.615 -12.763 -7.637 1.00 0.00 C ATOM 0 H ALA A 24 -0.720 -11.286 -8.018 1.00 0.00 H new ATOM 0 HA ALA A 24 -3.416 -11.021 -8.610 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -3.586 -13.238 -7.500 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -2.152 -13.140 -8.549 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -1.975 -12.992 -6.785 1.00 0.00 H new ATOM 391 N TYR A 25 -2.756 -10.283 -5.520 1.00 0.00 N ATOM 392 CA TYR A 25 -3.314 -9.722 -4.297 1.00 0.00 C ATOM 393 C TYR A 25 -2.567 -8.448 -3.901 1.00 0.00 C ATOM 394 O TYR A 25 -2.635 -8.001 -2.757 1.00 0.00 O ATOM 395 CB TYR A 25 -3.286 -10.772 -3.173 1.00 0.00 C ATOM 396 CG TYR A 25 -2.008 -11.576 -3.091 1.00 0.00 C ATOM 397 CD1 TYR A 25 -0.847 -11.036 -2.559 1.00 0.00 C ATOM 398 CD2 TYR A 25 -1.975 -12.894 -3.530 1.00 0.00 C ATOM 399 CE1 TYR A 25 0.310 -11.783 -2.476 1.00 0.00 C ATOM 400 CE2 TYR A 25 -0.821 -13.645 -3.450 1.00 0.00 C ATOM 401 CZ TYR A 25 0.318 -13.082 -2.924 1.00 0.00 C ATOM 402 OH TYR A 25 1.470 -13.821 -2.841 1.00 0.00 O ATOM 0 H TYR A 25 -1.737 -10.307 -5.542 1.00 0.00 H new ATOM 0 HA TYR A 25 -4.354 -9.448 -4.472 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -3.444 -10.268 -2.220 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -4.122 -11.457 -3.314 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -0.848 -10.016 -2.204 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -2.869 -13.338 -3.941 1.00 0.00 H new ATOM 0 HE1 TYR A 25 1.207 -11.348 -2.060 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -0.812 -14.667 -3.798 1.00 0.00 H new ATOM 0 HH TYR A 25 2.245 -13.222 -2.861 1.00 0.00 H new ATOM 412 N ALA A 26 -1.859 -7.865 -4.869 1.00 0.00 N ATOM 413 CA ALA A 26 -1.122 -6.622 -4.652 1.00 0.00 C ATOM 414 C ALA A 26 -1.663 -5.490 -5.529 1.00 0.00 C ATOM 415 O ALA A 26 -1.381 -4.311 -5.286 1.00 0.00 O ATOM 416 CB ALA A 26 0.364 -6.822 -4.931 1.00 0.00 C ATOM 0 H ALA A 26 -1.781 -8.237 -5.816 1.00 0.00 H new ATOM 0 HA ALA A 26 -1.257 -6.342 -3.607 1.00 0.00 H new ATOM 0 HB1 ALA A 26 0.895 -5.885 -4.764 1.00 0.00 H new ATOM 0 HB2 ALA A 26 0.760 -7.587 -4.264 1.00 0.00 H new ATOM 0 HB3 ALA A 26 0.501 -7.137 -5.966 1.00 0.00 H new ATOM 422 N TRP A 27 -2.452 -5.845 -6.544 1.00 0.00 N ATOM 423 CA TRP A 27 -2.967 -4.856 -7.489 1.00 0.00 C ATOM 424 C TRP A 27 -3.751 -3.706 -6.817 1.00 0.00 C ATOM 425 O TRP A 27 -3.659 -2.574 -7.290 1.00 0.00 O ATOM 426 CB TRP A 27 -3.810 -5.513 -8.602 1.00 0.00 C ATOM 427 CG TRP A 27 -5.016 -6.286 -8.139 1.00 0.00 C ATOM 428 CD1 TRP A 27 -5.068 -7.620 -7.865 1.00 0.00 C ATOM 429 CD2 TRP A 27 -6.347 -5.783 -7.921 1.00 0.00 C ATOM 430 NE1 TRP A 27 -6.333 -7.978 -7.479 1.00 0.00 N ATOM 431 CE2 TRP A 27 -7.138 -6.872 -7.508 1.00 0.00 C ATOM 432 CE3 TRP A 27 -6.945 -4.521 -8.028 1.00 0.00 C ATOM 433 CZ2 TRP A 27 -8.491 -6.740 -7.204 1.00 0.00 C ATOM 434 CZ3 TRP A 27 -8.288 -4.394 -7.727 1.00 0.00 C ATOM 435 CH2 TRP A 27 -9.048 -5.497 -7.321 1.00 0.00 C ATOM 0 H TRP A 27 -2.746 -6.803 -6.731 1.00 0.00 H new ATOM 0 HA TRP A 27 -2.084 -4.405 -7.942 1.00 0.00 H new ATOM 0 HB2 TRP A 27 -4.142 -4.734 -9.288 1.00 0.00 H new ATOM 0 HB3 TRP A 27 -3.167 -6.185 -9.170 1.00 0.00 H new ATOM 0 HD1 TRP A 27 -4.231 -8.298 -7.941 1.00 0.00 H new ATOM 0 HE1 TRP A 27 -6.627 -8.918 -7.213 1.00 0.00 H new ATOM 0 HE3 TRP A 27 -6.368 -3.663 -8.340 1.00 0.00 H new ATOM 0 HZ2 TRP A 27 -9.079 -7.589 -6.887 1.00 0.00 H new ATOM 0 HZ3 TRP A 27 -8.760 -3.426 -7.807 1.00 0.00 H new ATOM 0 HH2 TRP A 27 -10.096 -5.363 -7.096 1.00 0.00 H new ATOM 446 N PRO A 28 -4.528 -3.942 -5.719 1.00 0.00 N ATOM 447 CA PRO A 28 -5.246 -2.857 -5.033 1.00 0.00 C ATOM 448 C PRO A 28 -4.331 -1.725 -4.575 1.00 0.00 C ATOM 449 O PRO A 28 -4.790 -0.609 -4.340 1.00 0.00 O ATOM 450 CB PRO A 28 -5.878 -3.515 -3.796 1.00 0.00 C ATOM 451 CG PRO A 28 -5.318 -4.899 -3.725 1.00 0.00 C ATOM 452 CD PRO A 28 -4.811 -5.249 -5.095 1.00 0.00 C ATOM 0 HA PRO A 28 -5.967 -2.405 -5.714 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -5.641 -2.953 -2.893 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -6.964 -3.539 -3.881 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -4.512 -4.950 -2.993 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -6.083 -5.607 -3.406 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -3.915 -5.868 -5.042 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -5.553 -5.810 -5.663 1.00 0.00 H new ATOM 460 N PHE A 29 -3.041 -2.016 -4.450 1.00 0.00 N ATOM 461 CA PHE A 29 -2.104 -1.054 -3.872 1.00 0.00 C ATOM 462 C PHE A 29 -1.146 -0.494 -4.914 1.00 0.00 C ATOM 463 O PHE A 29 -0.376 0.423 -4.617 1.00 0.00 O ATOM 464 CB PHE A 29 -1.291 -1.689 -2.749 1.00 0.00 C ATOM 465 CG PHE A 29 -2.061 -2.679 -1.927 1.00 0.00 C ATOM 466 CD1 PHE A 29 -1.722 -4.021 -1.954 1.00 0.00 C ATOM 467 CD2 PHE A 29 -3.121 -2.275 -1.133 1.00 0.00 C ATOM 468 CE1 PHE A 29 -2.422 -4.939 -1.207 1.00 0.00 C ATOM 469 CE2 PHE A 29 -3.827 -3.191 -0.382 1.00 0.00 C ATOM 470 CZ PHE A 29 -3.476 -4.526 -0.420 1.00 0.00 C ATOM 0 H PHE A 29 -2.621 -2.900 -4.737 1.00 0.00 H new ATOM 0 HA PHE A 29 -2.707 -0.237 -3.475 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -0.422 -2.187 -3.179 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -0.916 -0.902 -2.095 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -0.898 -4.351 -2.569 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -3.398 -1.232 -1.102 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -2.146 -5.983 -1.237 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -4.652 -2.865 0.234 1.00 0.00 H new ATOM 0 HZ PHE A 29 -4.027 -5.246 0.167 1.00 0.00 H new ATOM 480 N TYR A 30 -1.156 -1.067 -6.115 1.00 0.00 N ATOM 481 CA TYR A 30 -0.355 -0.526 -7.216 1.00 0.00 C ATOM 482 C TYR A 30 -0.688 0.946 -7.433 1.00 0.00 C ATOM 483 O TYR A 30 0.204 1.793 -7.499 1.00 0.00 O ATOM 484 CB TYR A 30 -0.594 -1.316 -8.508 1.00 0.00 C ATOM 485 CG TYR A 30 0.108 -2.657 -8.540 1.00 0.00 C ATOM 486 CD1 TYR A 30 0.576 -3.234 -7.374 1.00 0.00 C ATOM 487 CD2 TYR A 30 0.313 -3.337 -9.734 1.00 0.00 C ATOM 488 CE1 TYR A 30 1.228 -4.445 -7.383 1.00 0.00 C ATOM 489 CE2 TYR A 30 0.964 -4.557 -9.752 1.00 0.00 C ATOM 490 CZ TYR A 30 1.420 -5.104 -8.571 1.00 0.00 C ATOM 491 OH TYR A 30 2.070 -6.313 -8.576 1.00 0.00 O ATOM 0 H TYR A 30 -1.702 -1.896 -6.352 1.00 0.00 H new ATOM 0 HA TYR A 30 0.698 -0.618 -6.949 1.00 0.00 H new ATOM 0 HB2 TYR A 30 -1.665 -1.473 -8.634 1.00 0.00 H new ATOM 0 HB3 TYR A 30 -0.257 -0.719 -9.356 1.00 0.00 H new ATOM 0 HD1 TYR A 30 0.426 -2.722 -6.435 1.00 0.00 H new ATOM 0 HD2 TYR A 30 -0.040 -2.907 -10.660 1.00 0.00 H new ATOM 0 HE1 TYR A 30 1.587 -4.875 -6.460 1.00 0.00 H new ATOM 0 HE2 TYR A 30 1.114 -5.078 -10.686 1.00 0.00 H new ATOM 0 HH TYR A 30 2.668 -6.360 -9.351 1.00 0.00 H new ATOM 501 N LYS A 31 -1.981 1.233 -7.530 1.00 0.00 N ATOM 502 CA LYS A 31 -2.470 2.592 -7.688 1.00 0.00 C ATOM 503 C LYS A 31 -3.707 2.810 -6.817 1.00 0.00 C ATOM 504 O LYS A 31 -4.392 1.849 -6.469 1.00 0.00 O ATOM 505 CB LYS A 31 -2.800 2.859 -9.154 1.00 0.00 C ATOM 506 CG LYS A 31 -1.570 3.110 -10.006 1.00 0.00 C ATOM 507 CD LYS A 31 -1.940 3.479 -11.430 1.00 0.00 C ATOM 508 CE LYS A 31 -0.725 3.959 -12.204 1.00 0.00 C ATOM 509 NZ LYS A 31 -0.100 5.149 -11.567 1.00 0.00 N ATOM 0 H LYS A 31 -2.718 0.528 -7.501 1.00 0.00 H new ATOM 0 HA LYS A 31 -1.694 3.288 -7.370 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -3.346 2.007 -9.558 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -3.462 3.722 -9.220 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -0.979 3.912 -9.564 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -0.943 2.218 -10.012 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -2.376 2.615 -11.931 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -2.701 4.260 -11.421 1.00 0.00 H new ATOM 0 HE2 LYS A 31 0.007 3.154 -12.267 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -1.018 4.205 -13.225 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 0.448 5.675 -12.277 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -0.842 5.764 -11.177 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 0.532 4.841 -10.801 1.00 0.00 H new ATOM 523 N PRO A 32 -4.003 4.074 -6.452 1.00 0.00 N ATOM 524 CA PRO A 32 -5.155 4.415 -5.605 1.00 0.00 C ATOM 525 C PRO A 32 -6.477 3.996 -6.239 1.00 0.00 C ATOM 526 O PRO A 32 -6.600 3.923 -7.465 1.00 0.00 O ATOM 527 CB PRO A 32 -5.081 5.943 -5.482 1.00 0.00 C ATOM 528 CG PRO A 32 -4.230 6.380 -6.623 1.00 0.00 C ATOM 529 CD PRO A 32 -3.244 5.273 -6.836 1.00 0.00 C ATOM 0 HA PRO A 32 -5.118 3.900 -4.645 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -6.073 6.392 -5.535 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -4.646 6.242 -4.528 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -4.830 6.548 -7.517 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -3.723 7.318 -6.397 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -2.910 5.224 -7.872 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -2.354 5.401 -6.220 1.00 0.00 H new ATOM 537 N VAL A 33 -7.463 3.735 -5.392 1.00 0.00 N ATOM 538 CA VAL A 33 -8.746 3.205 -5.835 1.00 0.00 C ATOM 539 C VAL A 33 -9.490 4.222 -6.701 1.00 0.00 C ATOM 540 O VAL A 33 -9.346 5.436 -6.524 1.00 0.00 O ATOM 541 CB VAL A 33 -9.623 2.780 -4.627 1.00 0.00 C ATOM 542 CG1 VAL A 33 -8.756 2.279 -3.488 1.00 0.00 C ATOM 543 CG2 VAL A 33 -10.543 3.895 -4.155 1.00 0.00 C ATOM 0 H VAL A 33 -7.398 3.883 -4.385 1.00 0.00 H new ATOM 0 HA VAL A 33 -8.545 2.320 -6.439 1.00 0.00 H new ATOM 0 HB VAL A 33 -10.263 1.966 -4.968 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -9.389 1.986 -2.651 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -8.176 1.419 -3.823 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -8.079 3.072 -3.171 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -11.134 3.545 -3.309 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -9.946 4.755 -3.850 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -11.209 4.185 -4.967 1.00 0.00 H new ATOM 553 N ASP A 34 -10.282 3.716 -7.637 1.00 0.00 N ATOM 554 CA ASP A 34 -11.021 4.569 -8.569 1.00 0.00 C ATOM 555 C ASP A 34 -12.319 5.031 -7.933 1.00 0.00 C ATOM 556 O ASP A 34 -13.398 4.644 -8.369 1.00 0.00 O ATOM 557 CB ASP A 34 -11.337 3.831 -9.883 1.00 0.00 C ATOM 558 CG ASP A 34 -10.101 3.466 -10.681 1.00 0.00 C ATOM 559 OD1 ASP A 34 -9.823 4.145 -11.693 1.00 0.00 O ATOM 560 OD2 ASP A 34 -9.409 2.492 -10.318 1.00 0.00 O ATOM 0 H ASP A 34 -10.432 2.716 -7.774 1.00 0.00 H new ATOM 0 HA ASP A 34 -10.391 5.428 -8.799 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -11.895 2.923 -9.656 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -11.984 4.458 -10.496 1.00 0.00 H new ATOM 565 N ALA A 35 -12.203 5.862 -6.905 1.00 0.00 N ATOM 566 CA ALA A 35 -13.352 6.295 -6.115 1.00 0.00 C ATOM 567 C ALA A 35 -14.452 6.905 -6.982 1.00 0.00 C ATOM 568 O ALA A 35 -15.635 6.710 -6.709 1.00 0.00 O ATOM 569 CB ALA A 35 -12.913 7.279 -5.044 1.00 0.00 C ATOM 0 H ALA A 35 -11.314 6.254 -6.595 1.00 0.00 H new ATOM 0 HA ALA A 35 -13.772 5.409 -5.639 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -13.779 7.594 -4.462 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -12.188 6.801 -4.385 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -12.456 8.150 -5.515 1.00 0.00 H new ATOM 575 N SER A 36 -14.065 7.617 -8.032 1.00 0.00 N ATOM 576 CA SER A 36 -15.030 8.237 -8.931 1.00 0.00 C ATOM 577 C SER A 36 -15.875 7.171 -9.632 1.00 0.00 C ATOM 578 O SER A 36 -17.088 7.318 -9.778 1.00 0.00 O ATOM 579 CB SER A 36 -14.305 9.100 -9.964 1.00 0.00 C ATOM 580 OG SER A 36 -13.382 9.979 -9.336 1.00 0.00 O ATOM 0 H SER A 36 -13.090 7.780 -8.282 1.00 0.00 H new ATOM 0 HA SER A 36 -15.694 8.871 -8.343 1.00 0.00 H new ATOM 0 HB2 SER A 36 -13.779 8.460 -10.673 1.00 0.00 H new ATOM 0 HB3 SER A 36 -15.032 9.678 -10.535 1.00 0.00 H new ATOM 0 HG SER A 36 -12.930 10.519 -10.017 1.00 0.00 H new ATOM 586 N ALA A 37 -15.229 6.084 -10.032 1.00 0.00 N ATOM 587 CA ALA A 37 -15.911 4.989 -10.706 1.00 0.00 C ATOM 588 C ALA A 37 -16.571 4.058 -9.693 1.00 0.00 C ATOM 589 O ALA A 37 -17.581 3.416 -9.979 1.00 0.00 O ATOM 590 CB ALA A 37 -14.925 4.220 -11.573 1.00 0.00 C ATOM 0 H ALA A 37 -14.228 5.937 -9.900 1.00 0.00 H new ATOM 0 HA ALA A 37 -16.693 5.404 -11.343 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -15.442 3.402 -12.074 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -14.497 4.890 -12.319 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -14.128 3.817 -10.948 1.00 0.00 H new ATOM 596 N LEU A 38 -15.999 4.012 -8.501 1.00 0.00 N ATOM 597 CA LEU A 38 -16.465 3.131 -7.436 1.00 0.00 C ATOM 598 C LEU A 38 -17.659 3.735 -6.696 1.00 0.00 C ATOM 599 O LEU A 38 -18.288 3.070 -5.875 1.00 0.00 O ATOM 600 CB LEU A 38 -15.310 2.859 -6.463 1.00 0.00 C ATOM 601 CG LEU A 38 -14.188 1.972 -7.013 1.00 0.00 C ATOM 602 CD1 LEU A 38 -12.910 2.153 -6.206 1.00 0.00 C ATOM 603 CD2 LEU A 38 -14.612 0.514 -7.010 1.00 0.00 C ATOM 0 H LEU A 38 -15.196 4.585 -8.241 1.00 0.00 H new ATOM 0 HA LEU A 38 -16.798 2.192 -7.879 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -14.880 3.813 -6.158 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -15.715 2.391 -5.566 1.00 0.00 H new ATOM 0 HG LEU A 38 -13.990 2.275 -8.041 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -12.128 1.513 -6.615 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -12.591 3.194 -6.258 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -13.094 1.881 -5.167 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -13.803 -0.101 -7.404 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -14.840 0.204 -5.990 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -15.498 0.391 -7.634 1.00 0.00 H new ATOM 615 N GLY A 39 -17.963 4.997 -6.986 1.00 0.00 N ATOM 616 CA GLY A 39 -19.078 5.669 -6.336 1.00 0.00 C ATOM 617 C GLY A 39 -18.696 6.207 -4.972 1.00 0.00 C ATOM 618 O GLY A 39 -19.529 6.724 -4.228 1.00 0.00 O ATOM 0 H GLY A 39 -17.456 5.569 -7.662 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -19.425 6.489 -6.965 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -19.910 4.973 -6.232 1.00 0.00 H new ATOM 622 N LEU A 40 -17.420 6.095 -4.654 1.00 0.00 N ATOM 623 CA LEU A 40 -16.903 6.500 -3.365 1.00 0.00 C ATOM 624 C LEU A 40 -16.559 7.989 -3.374 1.00 0.00 C ATOM 625 O LEU A 40 -15.396 8.370 -3.456 1.00 0.00 O ATOM 626 CB LEU A 40 -15.667 5.662 -3.038 1.00 0.00 C ATOM 627 CG LEU A 40 -15.780 4.173 -3.388 1.00 0.00 C ATOM 628 CD1 LEU A 40 -14.578 3.409 -2.872 1.00 0.00 C ATOM 629 CD2 LEU A 40 -17.066 3.569 -2.854 1.00 0.00 C ATOM 0 H LEU A 40 -16.713 5.719 -5.286 1.00 0.00 H new ATOM 0 HA LEU A 40 -17.661 6.336 -2.599 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -14.812 6.080 -3.569 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -15.456 5.754 -1.973 1.00 0.00 H new ATOM 0 HG LEU A 40 -15.803 4.092 -4.475 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -14.678 2.355 -3.131 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -13.671 3.809 -3.325 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -14.519 3.512 -1.789 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -17.111 2.513 -3.122 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -17.092 3.670 -1.769 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -17.920 4.090 -3.288 1.00 0.00 H new ATOM 641 N HIS A 41 -17.588 8.828 -3.276 1.00 0.00 N ATOM 642 CA HIS A 41 -17.423 10.283 -3.406 1.00 0.00 C ATOM 643 C HIS A 41 -16.635 10.877 -2.236 1.00 0.00 C ATOM 644 O HIS A 41 -16.127 11.995 -2.323 1.00 0.00 O ATOM 645 CB HIS A 41 -18.787 10.987 -3.477 1.00 0.00 C ATOM 646 CG HIS A 41 -19.759 10.402 -4.468 1.00 0.00 C ATOM 647 ND1 HIS A 41 -19.826 10.814 -5.783 1.00 0.00 N ATOM 648 CD2 HIS A 41 -20.723 9.446 -4.329 1.00 0.00 C ATOM 649 CE1 HIS A 41 -20.779 10.145 -6.406 1.00 0.00 C ATOM 650 NE2 HIS A 41 -21.335 9.313 -5.547 1.00 0.00 N ATOM 0 H HIS A 41 -18.548 8.529 -3.107 1.00 0.00 H new ATOM 0 HA HIS A 41 -16.868 10.447 -4.329 1.00 0.00 H new ATOM 0 HB2 HIS A 41 -19.243 10.962 -2.487 1.00 0.00 H new ATOM 0 HB3 HIS A 41 -18.624 12.035 -3.727 1.00 0.00 H new ATOM 0 HD2 HIS A 41 -20.959 8.898 -3.429 1.00 0.00 H new ATOM 0 HE1 HIS A 41 -21.056 10.260 -7.443 1.00 0.00 H new ATOM 0 HE2 HIS A 41 -22.100 8.672 -5.757 1.00 0.00 H new ATOM 659 N ASP A 42 -16.536 10.131 -1.147 1.00 0.00 N ATOM 660 CA ASP A 42 -15.937 10.651 0.080 1.00 0.00 C ATOM 661 C ASP A 42 -14.633 9.936 0.408 1.00 0.00 C ATOM 662 O ASP A 42 -14.227 9.874 1.569 1.00 0.00 O ATOM 663 CB ASP A 42 -16.910 10.510 1.252 1.00 0.00 C ATOM 664 CG ASP A 42 -18.013 11.553 1.251 1.00 0.00 C ATOM 665 OD1 ASP A 42 -18.822 11.580 0.301 1.00 0.00 O ATOM 666 OD2 ASP A 42 -18.099 12.334 2.223 1.00 0.00 O ATOM 0 H ASP A 42 -16.860 9.166 -1.084 1.00 0.00 H new ATOM 0 HA ASP A 42 -15.719 11.706 -0.083 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -17.359 9.517 1.224 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -16.354 10.582 2.187 1.00 0.00 H new ATOM 671 N TYR A 43 -13.964 9.416 -0.613 1.00 0.00 N ATOM 672 CA TYR A 43 -12.748 8.641 -0.407 1.00 0.00 C ATOM 673 C TYR A 43 -11.632 9.501 0.180 1.00 0.00 C ATOM 674 O TYR A 43 -10.906 9.058 1.065 1.00 0.00 O ATOM 675 CB TYR A 43 -12.307 7.988 -1.726 1.00 0.00 C ATOM 676 CG TYR A 43 -11.003 7.221 -1.664 1.00 0.00 C ATOM 677 CD1 TYR A 43 -10.968 5.922 -1.182 1.00 0.00 C ATOM 678 CD2 TYR A 43 -9.813 7.783 -2.115 1.00 0.00 C ATOM 679 CE1 TYR A 43 -9.791 5.201 -1.146 1.00 0.00 C ATOM 680 CE2 TYR A 43 -8.629 7.069 -2.079 1.00 0.00 C ATOM 681 CZ TYR A 43 -8.625 5.778 -1.597 1.00 0.00 C ATOM 682 OH TYR A 43 -7.451 5.059 -1.567 1.00 0.00 O ATOM 0 H TYR A 43 -14.242 9.516 -1.589 1.00 0.00 H new ATOM 0 HA TYR A 43 -12.963 7.854 0.315 1.00 0.00 H new ATOM 0 HB2 TYR A 43 -13.093 7.309 -2.057 1.00 0.00 H new ATOM 0 HB3 TYR A 43 -12.217 8.765 -2.485 1.00 0.00 H new ATOM 0 HD1 TYR A 43 -11.880 5.464 -0.827 1.00 0.00 H new ATOM 0 HD2 TYR A 43 -9.814 8.792 -2.499 1.00 0.00 H new ATOM 0 HE1 TYR A 43 -9.785 4.190 -0.766 1.00 0.00 H new ATOM 0 HE2 TYR A 43 -7.712 7.521 -2.427 1.00 0.00 H new ATOM 0 HH TYR A 43 -6.721 5.609 -1.921 1.00 0.00 H new ATOM 692 N HIS A 44 -11.519 10.738 -0.281 1.00 0.00 N ATOM 693 CA HIS A 44 -10.458 11.623 0.197 1.00 0.00 C ATOM 694 C HIS A 44 -10.795 12.215 1.562 1.00 0.00 C ATOM 695 O HIS A 44 -9.942 12.816 2.213 1.00 0.00 O ATOM 696 CB HIS A 44 -10.183 12.746 -0.806 1.00 0.00 C ATOM 697 CG HIS A 44 -9.460 12.293 -2.036 1.00 0.00 C ATOM 698 ND1 HIS A 44 -8.091 12.369 -2.175 1.00 0.00 N ATOM 699 CD2 HIS A 44 -9.923 11.760 -3.191 1.00 0.00 C ATOM 700 CE1 HIS A 44 -7.744 11.906 -3.362 1.00 0.00 C ATOM 701 NE2 HIS A 44 -8.837 11.530 -3.996 1.00 0.00 N ATOM 0 H HIS A 44 -12.139 11.151 -0.977 1.00 0.00 H new ATOM 0 HA HIS A 44 -9.558 11.017 0.300 1.00 0.00 H new ATOM 0 HB2 HIS A 44 -11.130 13.199 -1.099 1.00 0.00 H new ATOM 0 HB3 HIS A 44 -9.596 13.523 -0.316 1.00 0.00 H new ATOM 0 HD2 HIS A 44 -10.955 11.554 -3.433 1.00 0.00 H new ATOM 0 HE1 HIS A 44 -6.737 11.846 -3.748 1.00 0.00 H new ATOM 0 HE2 HIS A 44 -8.870 11.132 -4.935 1.00 0.00 H new ATOM 710 N ASP A 45 -12.035 12.043 1.996 1.00 0.00 N ATOM 711 CA ASP A 45 -12.462 12.551 3.295 1.00 0.00 C ATOM 712 C ASP A 45 -12.121 11.564 4.398 1.00 0.00 C ATOM 713 O ASP A 45 -11.828 11.953 5.530 1.00 0.00 O ATOM 714 CB ASP A 45 -13.960 12.852 3.302 1.00 0.00 C ATOM 715 CG ASP A 45 -14.282 14.149 2.592 1.00 0.00 C ATOM 716 OD1 ASP A 45 -14.134 15.220 3.214 1.00 0.00 O ATOM 717 OD2 ASP A 45 -14.679 14.105 1.410 1.00 0.00 O ATOM 0 H ASP A 45 -12.762 11.557 1.471 1.00 0.00 H new ATOM 0 HA ASP A 45 -11.924 13.481 3.480 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -14.496 12.033 2.822 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -14.314 12.905 4.332 1.00 0.00 H new ATOM 722 N ILE A 46 -12.169 10.283 4.069 1.00 0.00 N ATOM 723 CA ILE A 46 -11.793 9.243 5.014 1.00 0.00 C ATOM 724 C ILE A 46 -10.301 8.975 4.911 1.00 0.00 C ATOM 725 O ILE A 46 -9.602 8.877 5.921 1.00 0.00 O ATOM 726 CB ILE A 46 -12.587 7.928 4.787 1.00 0.00 C ATOM 727 CG1 ILE A 46 -14.029 8.062 5.271 1.00 0.00 C ATOM 728 CG2 ILE A 46 -11.938 6.750 5.510 1.00 0.00 C ATOM 729 CD1 ILE A 46 -14.873 9.073 4.523 1.00 0.00 C ATOM 0 H ILE A 46 -12.464 9.938 3.156 1.00 0.00 H new ATOM 0 HA ILE A 46 -12.039 9.600 6.014 1.00 0.00 H new ATOM 0 HB ILE A 46 -12.578 7.741 3.713 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -14.511 7.087 5.199 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -14.017 8.334 6.326 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -12.520 5.847 5.329 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -10.923 6.609 5.137 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -11.906 6.953 6.580 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -15.878 9.091 4.944 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -14.423 10.062 4.615 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -14.926 8.795 3.470 1.00 0.00 H new ATOM 741 N ILE A 47 -9.817 8.883 3.684 1.00 0.00 N ATOM 742 CA ILE A 47 -8.410 8.648 3.437 1.00 0.00 C ATOM 743 C ILE A 47 -7.651 9.968 3.417 1.00 0.00 C ATOM 744 O ILE A 47 -7.712 10.717 2.440 1.00 0.00 O ATOM 745 CB ILE A 47 -8.185 7.917 2.101 1.00 0.00 C ATOM 746 CG1 ILE A 47 -9.037 6.652 2.021 1.00 0.00 C ATOM 747 CG2 ILE A 47 -6.716 7.574 1.940 1.00 0.00 C ATOM 748 CD1 ILE A 47 -8.603 5.576 2.975 1.00 0.00 C ATOM 0 H ILE A 47 -10.384 8.969 2.841 1.00 0.00 H new ATOM 0 HA ILE A 47 -8.038 8.018 4.245 1.00 0.00 H new ATOM 0 HB ILE A 47 -8.487 8.580 1.290 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -10.076 6.910 2.225 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -8.999 6.262 1.004 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -6.565 7.057 0.992 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -6.125 8.490 1.952 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -6.401 6.928 2.760 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -9.252 4.707 2.864 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -7.574 5.290 2.757 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -8.668 5.948 3.997 1.00 0.00 H new ATOM 760 N LYS A 48 -6.946 10.252 4.500 1.00 0.00 N ATOM 761 CA LYS A 48 -6.198 11.494 4.612 1.00 0.00 C ATOM 762 C LYS A 48 -4.814 11.353 3.997 1.00 0.00 C ATOM 763 O LYS A 48 -4.229 12.327 3.526 1.00 0.00 O ATOM 764 CB LYS A 48 -6.078 11.913 6.074 1.00 0.00 C ATOM 765 CG LYS A 48 -7.399 12.353 6.692 1.00 0.00 C ATOM 766 CD LYS A 48 -7.942 13.621 6.059 1.00 0.00 C ATOM 767 CE LYS A 48 -7.041 14.792 6.330 1.00 0.00 C ATOM 768 NZ LYS A 48 -6.944 15.106 7.781 1.00 0.00 N ATOM 0 H LYS A 48 -6.876 9.640 5.313 1.00 0.00 H new ATOM 0 HA LYS A 48 -6.742 12.265 4.065 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -5.676 11.080 6.650 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -5.360 12.730 6.152 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -8.132 11.554 6.583 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -7.261 12.515 7.761 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -8.044 13.479 4.983 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -8.939 13.828 6.449 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -6.046 14.580 5.939 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -7.414 15.666 5.796 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -6.531 16.052 7.905 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -7.893 15.085 8.205 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -6.340 14.401 8.249 1.00 0.00 H new ATOM 782 N HIS A 49 -4.293 10.136 4.007 1.00 0.00 N ATOM 783 CA HIS A 49 -2.999 9.849 3.402 1.00 0.00 C ATOM 784 C HIS A 49 -3.114 8.754 2.338 1.00 0.00 C ATOM 785 O HIS A 49 -2.636 7.634 2.538 1.00 0.00 O ATOM 786 CB HIS A 49 -1.992 9.445 4.481 1.00 0.00 C ATOM 787 CG HIS A 49 -1.450 10.613 5.259 1.00 0.00 C ATOM 788 ND1 HIS A 49 -1.002 10.509 6.560 1.00 0.00 N ATOM 789 CD2 HIS A 49 -1.272 11.918 4.910 1.00 0.00 C ATOM 790 CE1 HIS A 49 -0.570 11.687 6.972 1.00 0.00 C ATOM 791 NE2 HIS A 49 -0.722 12.555 5.993 1.00 0.00 N ATOM 0 H HIS A 49 -4.748 9.327 4.429 1.00 0.00 H new ATOM 0 HA HIS A 49 -2.646 10.755 2.909 1.00 0.00 H new ATOM 0 HB2 HIS A 49 -2.469 8.749 5.170 1.00 0.00 H new ATOM 0 HB3 HIS A 49 -1.163 8.913 4.013 1.00 0.00 H new ATOM 0 HD2 HIS A 49 -1.518 12.367 3.959 1.00 0.00 H new ATOM 0 HE1 HIS A 49 -0.161 11.903 7.948 1.00 0.00 H new ATOM 0 HE2 HIS A 49 -0.471 13.543 6.034 1.00 0.00 H new ATOM 800 N PRO A 50 -3.766 9.052 1.194 1.00 0.00 N ATOM 801 CA PRO A 50 -3.875 8.103 0.081 1.00 0.00 C ATOM 802 C PRO A 50 -2.533 7.874 -0.602 1.00 0.00 C ATOM 803 O PRO A 50 -2.023 8.744 -1.312 1.00 0.00 O ATOM 804 CB PRO A 50 -4.855 8.780 -0.881 1.00 0.00 C ATOM 805 CG PRO A 50 -4.735 10.232 -0.580 1.00 0.00 C ATOM 806 CD PRO A 50 -4.467 10.319 0.899 1.00 0.00 C ATOM 0 HA PRO A 50 -4.205 7.119 0.414 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -4.601 8.568 -1.920 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -5.874 8.425 -0.723 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -3.925 10.685 -1.152 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -5.649 10.764 -0.845 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -3.853 11.185 1.146 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -5.391 10.410 1.470 1.00 0.00 H new ATOM 814 N MET A 51 -1.962 6.708 -0.385 1.00 0.00 N ATOM 815 CA MET A 51 -0.676 6.382 -0.967 1.00 0.00 C ATOM 816 C MET A 51 -0.724 5.022 -1.650 1.00 0.00 C ATOM 817 O MET A 51 -1.494 4.148 -1.257 1.00 0.00 O ATOM 818 CB MET A 51 0.420 6.420 0.111 1.00 0.00 C ATOM 819 CG MET A 51 1.793 5.955 -0.373 1.00 0.00 C ATOM 820 SD MET A 51 2.314 6.790 -1.888 1.00 0.00 S ATOM 821 CE MET A 51 2.201 8.501 -1.392 1.00 0.00 C ATOM 0 H MET A 51 -2.368 5.970 0.190 1.00 0.00 H new ATOM 0 HA MET A 51 -0.437 7.128 -1.725 1.00 0.00 H new ATOM 0 HB2 MET A 51 0.507 7.439 0.489 1.00 0.00 H new ATOM 0 HB3 MET A 51 0.112 5.794 0.949 1.00 0.00 H new ATOM 0 HG2 MET A 51 2.530 6.136 0.409 1.00 0.00 H new ATOM 0 HG3 MET A 51 1.768 4.879 -0.545 1.00 0.00 H new ATOM 0 HE1 MET A 51 2.901 9.097 -1.978 1.00 0.00 H new ATOM 0 HE2 MET A 51 1.187 8.863 -1.562 1.00 0.00 H new ATOM 0 HE3 MET A 51 2.446 8.590 -0.334 1.00 0.00 H new ATOM 831 N ASP A 52 0.096 4.872 -2.676 1.00 0.00 N ATOM 832 CA ASP A 52 0.170 3.649 -3.456 1.00 0.00 C ATOM 833 C ASP A 52 1.631 3.328 -3.743 1.00 0.00 C ATOM 834 O ASP A 52 2.484 4.215 -3.731 1.00 0.00 O ATOM 835 CB ASP A 52 -0.598 3.808 -4.771 1.00 0.00 C ATOM 836 CG ASP A 52 -0.063 4.947 -5.616 1.00 0.00 C ATOM 837 OD1 ASP A 52 -0.544 6.091 -5.457 1.00 0.00 O ATOM 838 OD2 ASP A 52 0.843 4.716 -6.437 1.00 0.00 O ATOM 0 H ASP A 52 0.734 5.602 -2.994 1.00 0.00 H new ATOM 0 HA ASP A 52 -0.281 2.834 -2.890 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -0.539 2.879 -5.338 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -1.652 3.983 -4.555 1.00 0.00 H new ATOM 843 N LEU A 53 1.906 2.056 -4.008 1.00 0.00 N ATOM 844 CA LEU A 53 3.276 1.571 -4.170 1.00 0.00 C ATOM 845 C LEU A 53 3.973 2.194 -5.372 1.00 0.00 C ATOM 846 O LEU A 53 5.199 2.310 -5.392 1.00 0.00 O ATOM 847 CB LEU A 53 3.285 0.048 -4.275 1.00 0.00 C ATOM 848 CG LEU A 53 3.075 -0.678 -2.951 1.00 0.00 C ATOM 849 CD1 LEU A 53 2.787 -2.140 -3.198 1.00 0.00 C ATOM 850 CD2 LEU A 53 4.289 -0.530 -2.056 1.00 0.00 C ATOM 0 H LEU A 53 1.193 1.335 -4.116 1.00 0.00 H new ATOM 0 HA LEU A 53 3.836 1.875 -3.286 1.00 0.00 H new ATOM 0 HB2 LEU A 53 2.505 -0.260 -4.972 1.00 0.00 H new ATOM 0 HB3 LEU A 53 4.237 -0.269 -4.702 1.00 0.00 H new ATOM 0 HG LEU A 53 2.220 -0.228 -2.447 1.00 0.00 H new ATOM 0 HD11 LEU A 53 2.639 -2.648 -2.245 1.00 0.00 H new ATOM 0 HD12 LEU A 53 1.886 -2.236 -3.804 1.00 0.00 H new ATOM 0 HD13 LEU A 53 3.628 -2.593 -3.723 1.00 0.00 H new ATOM 0 HD21 LEU A 53 4.115 -1.056 -1.117 1.00 0.00 H new ATOM 0 HD22 LEU A 53 5.162 -0.953 -2.553 1.00 0.00 H new ATOM 0 HD23 LEU A 53 4.464 0.526 -1.853 1.00 0.00 H new ATOM 862 N SER A 54 3.202 2.607 -6.360 1.00 0.00 N ATOM 863 CA SER A 54 3.776 3.253 -7.537 1.00 0.00 C ATOM 864 C SER A 54 4.285 4.653 -7.172 1.00 0.00 C ATOM 865 O SER A 54 5.363 5.065 -7.607 1.00 0.00 O ATOM 866 CB SER A 54 2.751 3.324 -8.680 1.00 0.00 C ATOM 867 OG SER A 54 3.265 4.034 -9.796 1.00 0.00 O ATOM 0 H SER A 54 2.187 2.511 -6.377 1.00 0.00 H new ATOM 0 HA SER A 54 4.619 2.655 -7.885 1.00 0.00 H new ATOM 0 HB2 SER A 54 2.475 2.315 -8.985 1.00 0.00 H new ATOM 0 HB3 SER A 54 1.842 3.810 -8.325 1.00 0.00 H new ATOM 0 HG SER A 54 2.590 4.060 -10.506 1.00 0.00 H new ATOM 873 N THR A 55 3.517 5.371 -6.354 1.00 0.00 N ATOM 874 CA THR A 55 3.909 6.698 -5.895 1.00 0.00 C ATOM 875 C THR A 55 5.030 6.617 -4.863 1.00 0.00 C ATOM 876 O THR A 55 5.903 7.488 -4.819 1.00 0.00 O ATOM 877 CB THR A 55 2.722 7.471 -5.297 1.00 0.00 C ATOM 878 OG1 THR A 55 1.615 7.440 -6.206 1.00 0.00 O ATOM 879 CG2 THR A 55 3.113 8.911 -5.047 1.00 0.00 C ATOM 0 H THR A 55 2.617 5.052 -5.996 1.00 0.00 H new ATOM 0 HA THR A 55 4.267 7.237 -6.772 1.00 0.00 H new ATOM 0 HB THR A 55 2.439 7.002 -4.355 1.00 0.00 H new ATOM 0 HG1 THR A 55 0.786 7.284 -5.707 1.00 0.00 H new ATOM 0 HG21 THR A 55 2.265 9.450 -4.623 1.00 0.00 H new ATOM 0 HG22 THR A 55 3.950 8.945 -4.349 1.00 0.00 H new ATOM 0 HG23 THR A 55 3.406 9.377 -5.988 1.00 0.00 H new ATOM 887 N VAL A 56 5.018 5.574 -4.037 1.00 0.00 N ATOM 888 CA VAL A 56 6.105 5.355 -3.090 1.00 0.00 C ATOM 889 C VAL A 56 7.410 5.230 -3.849 1.00 0.00 C ATOM 890 O VAL A 56 8.404 5.880 -3.521 1.00 0.00 O ATOM 891 CB VAL A 56 5.892 4.086 -2.239 1.00 0.00 C ATOM 892 CG1 VAL A 56 7.091 3.837 -1.334 1.00 0.00 C ATOM 893 CG2 VAL A 56 4.626 4.207 -1.413 1.00 0.00 C ATOM 0 H VAL A 56 4.276 4.875 -4.004 1.00 0.00 H new ATOM 0 HA VAL A 56 6.130 6.209 -2.413 1.00 0.00 H new ATOM 0 HB VAL A 56 5.788 3.237 -2.914 1.00 0.00 H new ATOM 0 HG11 VAL A 56 6.920 2.937 -0.743 1.00 0.00 H new ATOM 0 HG12 VAL A 56 7.986 3.706 -1.943 1.00 0.00 H new ATOM 0 HG13 VAL A 56 7.227 4.689 -0.668 1.00 0.00 H new ATOM 0 HG21 VAL A 56 4.491 3.303 -0.819 1.00 0.00 H new ATOM 0 HG22 VAL A 56 4.705 5.069 -0.750 1.00 0.00 H new ATOM 0 HG23 VAL A 56 3.770 4.336 -2.076 1.00 0.00 H new ATOM 903 N LYS A 57 7.377 4.418 -4.893 1.00 0.00 N ATOM 904 CA LYS A 57 8.529 4.202 -5.737 1.00 0.00 C ATOM 905 C LYS A 57 8.887 5.481 -6.474 1.00 0.00 C ATOM 906 O LYS A 57 10.054 5.809 -6.637 1.00 0.00 O ATOM 907 CB LYS A 57 8.222 3.097 -6.730 1.00 0.00 C ATOM 908 CG LYS A 57 9.337 2.084 -6.862 1.00 0.00 C ATOM 909 CD LYS A 57 8.870 0.856 -7.606 1.00 0.00 C ATOM 910 CE LYS A 57 10.010 -0.114 -7.828 1.00 0.00 C ATOM 911 NZ LYS A 57 9.625 -1.238 -8.715 1.00 0.00 N ATOM 0 H LYS A 57 6.549 3.893 -5.175 1.00 0.00 H new ATOM 0 HA LYS A 57 9.378 3.910 -5.120 1.00 0.00 H new ATOM 0 HB2 LYS A 57 7.310 2.585 -6.423 1.00 0.00 H new ATOM 0 HB3 LYS A 57 8.025 3.540 -7.706 1.00 0.00 H new ATOM 0 HG2 LYS A 57 10.180 2.533 -7.387 1.00 0.00 H new ATOM 0 HG3 LYS A 57 9.693 1.800 -5.872 1.00 0.00 H new ATOM 0 HD2 LYS A 57 8.076 0.366 -7.042 1.00 0.00 H new ATOM 0 HD3 LYS A 57 8.445 1.149 -8.566 1.00 0.00 H new ATOM 0 HE2 LYS A 57 10.857 0.417 -8.264 1.00 0.00 H new ATOM 0 HE3 LYS A 57 10.341 -0.509 -6.867 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 10.469 -1.601 -9.202 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 9.200 -1.998 -8.147 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 8.936 -0.905 -9.419 1.00 0.00 H new ATOM 925 N ARG A 58 7.860 6.193 -6.909 1.00 0.00 N ATOM 926 CA ARG A 58 8.024 7.476 -7.579 1.00 0.00 C ATOM 927 C ARG A 58 8.823 8.450 -6.712 1.00 0.00 C ATOM 928 O ARG A 58 9.832 9.004 -7.148 1.00 0.00 O ATOM 929 CB ARG A 58 6.648 8.054 -7.890 1.00 0.00 C ATOM 930 CG ARG A 58 6.678 9.372 -8.642 1.00 0.00 C ATOM 931 CD ARG A 58 5.280 9.921 -8.835 1.00 0.00 C ATOM 932 NE ARG A 58 5.284 11.240 -9.462 1.00 0.00 N ATOM 933 CZ ARG A 58 4.285 12.114 -9.364 1.00 0.00 C ATOM 934 NH1 ARG A 58 3.184 11.792 -8.693 1.00 0.00 N ATOM 935 NH2 ARG A 58 4.381 13.300 -9.950 1.00 0.00 N ATOM 0 H ARG A 58 6.888 5.899 -6.808 1.00 0.00 H new ATOM 0 HA ARG A 58 8.578 7.324 -8.505 1.00 0.00 H new ATOM 0 HB2 ARG A 58 6.086 7.327 -8.477 1.00 0.00 H new ATOM 0 HB3 ARG A 58 6.107 8.195 -6.955 1.00 0.00 H new ATOM 0 HG2 ARG A 58 7.283 10.094 -8.093 1.00 0.00 H new ATOM 0 HG3 ARG A 58 7.154 9.230 -9.612 1.00 0.00 H new ATOM 0 HD2 ARG A 58 4.703 9.231 -9.450 1.00 0.00 H new ATOM 0 HD3 ARG A 58 4.779 9.982 -7.869 1.00 0.00 H new ATOM 0 HE ARG A 58 6.103 11.508 -10.008 1.00 0.00 H new ATOM 0 HH11 ARG A 58 3.105 10.875 -8.253 1.00 0.00 H new ATOM 0 HH12 ARG A 58 2.418 12.462 -8.618 1.00 0.00 H new ATOM 0 HH21 ARG A 58 5.221 13.542 -10.476 1.00 0.00 H new ATOM 0 HH22 ARG A 58 3.615 13.970 -9.875 1.00 0.00 H new ATOM 949 N LYS A 59 8.378 8.635 -5.474 1.00 0.00 N ATOM 950 CA LYS A 59 9.046 9.543 -4.547 1.00 0.00 C ATOM 951 C LYS A 59 10.413 8.983 -4.149 1.00 0.00 C ATOM 952 O LYS A 59 11.329 9.729 -3.799 1.00 0.00 O ATOM 953 CB LYS A 59 8.167 9.794 -3.311 1.00 0.00 C ATOM 954 CG LYS A 59 6.836 10.463 -3.625 1.00 0.00 C ATOM 955 CD LYS A 59 5.847 10.381 -2.461 1.00 0.00 C ATOM 956 CE LYS A 59 6.380 11.031 -1.187 1.00 0.00 C ATOM 957 NZ LYS A 59 7.015 10.051 -0.262 1.00 0.00 N ATOM 0 H LYS A 59 7.557 8.168 -5.088 1.00 0.00 H new ATOM 0 HA LYS A 59 9.204 10.500 -5.045 1.00 0.00 H new ATOM 0 HB2 LYS A 59 7.976 8.843 -2.814 1.00 0.00 H new ATOM 0 HB3 LYS A 59 8.718 10.417 -2.606 1.00 0.00 H new ATOM 0 HG2 LYS A 59 7.010 11.509 -3.876 1.00 0.00 H new ATOM 0 HG3 LYS A 59 6.396 9.993 -4.505 1.00 0.00 H new ATOM 0 HD2 LYS A 59 4.914 10.866 -2.748 1.00 0.00 H new ATOM 0 HD3 LYS A 59 5.615 9.335 -2.260 1.00 0.00 H new ATOM 0 HE2 LYS A 59 7.108 11.798 -1.453 1.00 0.00 H new ATOM 0 HE3 LYS A 59 5.562 11.534 -0.671 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 7.787 10.514 0.258 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 6.305 9.700 0.413 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 7.396 9.253 -0.810 1.00 0.00 H new ATOM 971 N MET A 60 10.549 7.660 -4.219 1.00 0.00 N ATOM 972 CA MET A 60 11.838 7.013 -3.993 1.00 0.00 C ATOM 973 C MET A 60 12.782 7.284 -5.162 1.00 0.00 C ATOM 974 O MET A 60 13.981 7.477 -4.969 1.00 0.00 O ATOM 975 CB MET A 60 11.677 5.501 -3.816 1.00 0.00 C ATOM 976 CG MET A 60 12.992 4.776 -3.585 1.00 0.00 C ATOM 977 SD MET A 60 12.885 3.027 -3.986 1.00 0.00 S ATOM 978 CE MET A 60 11.509 2.558 -2.951 1.00 0.00 C ATOM 0 H MET A 60 9.785 7.018 -4.430 1.00 0.00 H new ATOM 0 HA MET A 60 12.258 7.430 -3.078 1.00 0.00 H new ATOM 0 HB2 MET A 60 11.013 5.310 -2.973 1.00 0.00 H new ATOM 0 HB3 MET A 60 11.194 5.089 -4.702 1.00 0.00 H new ATOM 0 HG2 MET A 60 13.771 5.239 -4.191 1.00 0.00 H new ATOM 0 HG3 MET A 60 13.289 4.890 -2.543 1.00 0.00 H new ATOM 0 HE1 MET A 60 11.543 1.484 -2.765 1.00 0.00 H new ATOM 0 HE2 MET A 60 11.568 3.092 -2.003 1.00 0.00 H new ATOM 0 HE3 MET A 60 10.574 2.810 -3.452 1.00 0.00 H new ATOM 988 N GLU A 61 12.236 7.299 -6.377 1.00 0.00 N ATOM 989 CA GLU A 61 13.025 7.600 -7.570 1.00 0.00 C ATOM 990 C GLU A 61 13.501 9.042 -7.548 1.00 0.00 C ATOM 991 O GLU A 61 14.553 9.370 -8.092 1.00 0.00 O ATOM 992 CB GLU A 61 12.221 7.351 -8.847 1.00 0.00 C ATOM 993 CG GLU A 61 12.054 5.881 -9.193 1.00 0.00 C ATOM 994 CD GLU A 61 11.647 5.671 -10.637 1.00 0.00 C ATOM 995 OE1 GLU A 61 10.439 5.763 -10.946 1.00 0.00 O ATOM 996 OE2 GLU A 61 12.539 5.413 -11.475 1.00 0.00 O ATOM 0 H GLU A 61 11.251 7.106 -6.561 1.00 0.00 H new ATOM 0 HA GLU A 61 13.888 6.934 -7.565 1.00 0.00 H new ATOM 0 HB2 GLU A 61 11.235 7.803 -8.738 1.00 0.00 H new ATOM 0 HB3 GLU A 61 12.713 7.856 -9.678 1.00 0.00 H new ATOM 0 HG2 GLU A 61 12.990 5.357 -9.002 1.00 0.00 H new ATOM 0 HG3 GLU A 61 11.303 5.439 -8.538 1.00 0.00 H new ATOM 1003 N ASN A 62 12.723 9.897 -6.903 1.00 0.00 N ATOM 1004 CA ASN A 62 13.088 11.299 -6.747 1.00 0.00 C ATOM 1005 C ASN A 62 14.058 11.436 -5.587 1.00 0.00 C ATOM 1006 O ASN A 62 14.564 12.521 -5.295 1.00 0.00 O ATOM 1007 CB ASN A 62 11.848 12.170 -6.512 1.00 0.00 C ATOM 1008 CG ASN A 62 10.989 12.351 -7.758 1.00 0.00 C ATOM 1009 OD1 ASN A 62 10.318 13.372 -7.919 1.00 0.00 O ATOM 1010 ND2 ASN A 62 10.996 11.369 -8.647 1.00 0.00 N ATOM 0 H ASN A 62 11.831 9.645 -6.477 1.00 0.00 H new ATOM 0 HA ASN A 62 13.564 11.643 -7.665 1.00 0.00 H new ATOM 0 HB2 ASN A 62 11.242 11.722 -5.724 1.00 0.00 H new ATOM 0 HB3 ASN A 62 12.164 13.149 -6.152 1.00 0.00 H new ATOM 0 HD21 ASN A 62 10.435 11.445 -9.495 1.00 0.00 H new ATOM 0 HD22 ASN A 62 11.563 10.537 -8.483 1.00 0.00 H new ATOM 1017 N ARG A 63 14.302 10.296 -4.941 1.00 0.00 N ATOM 1018 CA ARG A 63 15.275 10.166 -3.865 1.00 0.00 C ATOM 1019 C ARG A 63 14.980 11.127 -2.729 1.00 0.00 C ATOM 1020 O ARG A 63 15.888 11.625 -2.070 1.00 0.00 O ATOM 1021 CB ARG A 63 16.685 10.377 -4.413 1.00 0.00 C ATOM 1022 CG ARG A 63 16.992 9.499 -5.612 1.00 0.00 C ATOM 1023 CD ARG A 63 17.089 8.028 -5.232 1.00 0.00 C ATOM 1024 NE ARG A 63 16.935 7.153 -6.395 1.00 0.00 N ATOM 1025 CZ ARG A 63 17.910 6.877 -7.263 1.00 0.00 C ATOM 1026 NH1 ARG A 63 19.113 7.420 -7.123 1.00 0.00 N ATOM 1027 NH2 ARG A 63 17.678 6.055 -8.276 1.00 0.00 N ATOM 0 H ARG A 63 13.819 9.424 -5.157 1.00 0.00 H new ATOM 0 HA ARG A 63 15.204 9.158 -3.457 1.00 0.00 H new ATOM 0 HB2 ARG A 63 16.807 11.423 -4.695 1.00 0.00 H new ATOM 0 HB3 ARG A 63 17.410 10.173 -3.625 1.00 0.00 H new ATOM 0 HG2 ARG A 63 16.214 9.628 -6.365 1.00 0.00 H new ATOM 0 HG3 ARG A 63 17.930 9.819 -6.065 1.00 0.00 H new ATOM 0 HD2 ARG A 63 18.053 7.838 -4.760 1.00 0.00 H new ATOM 0 HD3 ARG A 63 16.321 7.792 -4.496 1.00 0.00 H new ATOM 0 HE ARG A 63 16.022 6.726 -6.552 1.00 0.00 H new ATOM 0 HH11 ARG A 63 19.299 8.055 -6.346 1.00 0.00 H new ATOM 0 HH12 ARG A 63 19.852 7.203 -7.792 1.00 0.00 H new ATOM 0 HH21 ARG A 63 16.756 5.635 -8.391 1.00 0.00 H new ATOM 0 HH22 ARG A 63 18.422 5.842 -8.941 1.00 0.00 H new ATOM 1041 N ASP A 64 13.698 11.375 -2.501 1.00 0.00 N ATOM 1042 CA ASP A 64 13.283 12.216 -1.383 1.00 0.00 C ATOM 1043 C ASP A 64 13.396 11.453 -0.070 1.00 0.00 C ATOM 1044 O ASP A 64 13.435 12.045 1.010 1.00 0.00 O ATOM 1045 CB ASP A 64 11.855 12.722 -1.578 1.00 0.00 C ATOM 1046 CG ASP A 64 11.772 13.833 -2.603 1.00 0.00 C ATOM 1047 OD1 ASP A 64 12.174 14.975 -2.289 1.00 0.00 O ATOM 1048 OD2 ASP A 64 11.298 13.577 -3.726 1.00 0.00 O ATOM 0 H ASP A 64 12.932 11.011 -3.068 1.00 0.00 H new ATOM 0 HA ASP A 64 13.949 13.078 -1.347 1.00 0.00 H new ATOM 0 HB2 ASP A 64 11.219 11.894 -1.891 1.00 0.00 H new ATOM 0 HB3 ASP A 64 11.466 13.081 -0.625 1.00 0.00 H new ATOM 1053 N TYR A 65 13.464 10.135 -0.178 1.00 0.00 N ATOM 1054 CA TYR A 65 13.601 9.265 0.985 1.00 0.00 C ATOM 1055 C TYR A 65 15.040 9.273 1.465 1.00 0.00 C ATOM 1056 O TYR A 65 15.970 9.293 0.658 1.00 0.00 O ATOM 1057 CB TYR A 65 13.201 7.822 0.647 1.00 0.00 C ATOM 1058 CG TYR A 65 11.752 7.637 0.244 1.00 0.00 C ATOM 1059 CD1 TYR A 65 11.067 6.472 0.561 1.00 0.00 C ATOM 1060 CD2 TYR A 65 11.075 8.617 -0.458 1.00 0.00 C ATOM 1061 CE1 TYR A 65 9.747 6.299 0.183 1.00 0.00 C ATOM 1062 CE2 TYR A 65 9.766 8.450 -0.831 1.00 0.00 C ATOM 1063 CZ TYR A 65 9.104 7.294 -0.510 1.00 0.00 C ATOM 1064 OH TYR A 65 7.795 7.132 -0.895 1.00 0.00 O ATOM 0 H TYR A 65 13.426 9.638 -1.068 1.00 0.00 H new ATOM 0 HA TYR A 65 12.940 9.642 1.765 1.00 0.00 H new ATOM 0 HB2 TYR A 65 13.836 7.465 -0.164 1.00 0.00 H new ATOM 0 HB3 TYR A 65 13.405 7.192 1.513 1.00 0.00 H new ATOM 0 HD1 TYR A 65 11.571 5.690 1.110 1.00 0.00 H new ATOM 0 HD2 TYR A 65 11.587 9.532 -0.718 1.00 0.00 H new ATOM 0 HE1 TYR A 65 9.226 5.386 0.432 1.00 0.00 H new ATOM 0 HE2 TYR A 65 9.257 9.230 -1.378 1.00 0.00 H new ATOM 0 HH TYR A 65 7.262 6.840 -0.126 1.00 0.00 H new ATOM 1074 N ARG A 66 15.220 9.282 2.772 1.00 0.00 N ATOM 1075 CA ARG A 66 16.549 9.211 3.354 1.00 0.00 C ATOM 1076 C ARG A 66 16.830 7.804 3.859 1.00 0.00 C ATOM 1077 O ARG A 66 17.958 7.319 3.782 1.00 0.00 O ATOM 1078 CB ARG A 66 16.679 10.208 4.511 1.00 0.00 C ATOM 1079 CG ARG A 66 18.035 10.191 5.211 1.00 0.00 C ATOM 1080 CD ARG A 66 18.032 11.097 6.426 1.00 0.00 C ATOM 1081 NE ARG A 66 17.144 10.585 7.468 1.00 0.00 N ATOM 1082 CZ ARG A 66 16.527 11.345 8.369 1.00 0.00 C ATOM 1083 NH1 ARG A 66 16.709 12.661 8.376 1.00 0.00 N ATOM 1084 NH2 ARG A 66 15.731 10.782 9.269 1.00 0.00 N ATOM 0 H ARG A 66 14.462 9.338 3.453 1.00 0.00 H new ATOM 0 HA ARG A 66 17.275 9.465 2.582 1.00 0.00 H new ATOM 0 HB2 ARG A 66 16.493 11.213 4.131 1.00 0.00 H new ATOM 0 HB3 ARG A 66 15.902 9.996 5.246 1.00 0.00 H new ATOM 0 HG2 ARG A 66 18.279 9.173 5.513 1.00 0.00 H new ATOM 0 HG3 ARG A 66 18.811 10.512 4.516 1.00 0.00 H new ATOM 0 HD2 ARG A 66 19.045 11.185 6.819 1.00 0.00 H new ATOM 0 HD3 ARG A 66 17.715 12.098 6.135 1.00 0.00 H new ATOM 0 HE ARG A 66 16.987 9.578 7.507 1.00 0.00 H new ATOM 0 HH11 ARG A 66 17.325 13.094 7.688 1.00 0.00 H new ATOM 0 HH12 ARG A 66 16.233 13.238 9.069 1.00 0.00 H new ATOM 0 HH21 ARG A 66 15.595 9.771 9.268 1.00 0.00 H new ATOM 0 HH22 ARG A 66 15.256 11.360 9.962 1.00 0.00 H new ATOM 1098 N ASP A 67 15.794 7.142 4.352 1.00 0.00 N ATOM 1099 CA ASP A 67 15.958 5.860 5.010 1.00 0.00 C ATOM 1100 C ASP A 67 14.847 4.925 4.571 1.00 0.00 C ATOM 1101 O ASP A 67 13.803 5.371 4.091 1.00 0.00 O ATOM 1102 CB ASP A 67 15.922 6.026 6.538 1.00 0.00 C ATOM 1103 CG ASP A 67 17.086 6.818 7.096 1.00 0.00 C ATOM 1104 OD1 ASP A 67 18.211 6.280 7.144 1.00 0.00 O ATOM 1105 OD2 ASP A 67 16.873 7.969 7.526 1.00 0.00 O ATOM 0 H ASP A 67 14.831 7.474 4.307 1.00 0.00 H new ATOM 0 HA ASP A 67 16.925 5.442 4.731 1.00 0.00 H new ATOM 0 HB2 ASP A 67 14.992 6.520 6.818 1.00 0.00 H new ATOM 0 HB3 ASP A 67 15.911 5.039 7.001 1.00 0.00 H new ATOM 1110 N ALA A 68 15.066 3.631 4.745 1.00 0.00 N ATOM 1111 CA ALA A 68 14.067 2.635 4.392 1.00 0.00 C ATOM 1112 C ALA A 68 12.914 2.697 5.371 1.00 0.00 C ATOM 1113 O ALA A 68 11.832 2.177 5.114 1.00 0.00 O ATOM 1114 CB ALA A 68 14.667 1.246 4.393 1.00 0.00 C ATOM 0 H ALA A 68 15.929 3.246 5.129 1.00 0.00 H new ATOM 0 HA ALA A 68 13.704 2.852 3.387 1.00 0.00 H new ATOM 0 HB1 ALA A 68 13.901 0.518 4.126 1.00 0.00 H new ATOM 0 HB2 ALA A 68 15.479 1.200 3.668 1.00 0.00 H new ATOM 0 HB3 ALA A 68 15.054 1.018 5.386 1.00 0.00 H new ATOM 1120 N GLN A 69 13.164 3.339 6.499 1.00 0.00 N ATOM 1121 CA GLN A 69 12.138 3.549 7.496 1.00 0.00 C ATOM 1122 C GLN A 69 11.119 4.545 6.964 1.00 0.00 C ATOM 1123 O GLN A 69 9.921 4.391 7.169 1.00 0.00 O ATOM 1124 CB GLN A 69 12.738 4.068 8.799 1.00 0.00 C ATOM 1125 CG GLN A 69 11.740 4.079 9.937 1.00 0.00 C ATOM 1126 CD GLN A 69 11.414 2.688 10.432 1.00 0.00 C ATOM 1127 OE1 GLN A 69 10.510 2.025 9.920 1.00 0.00 O ATOM 1128 NE2 GLN A 69 12.148 2.237 11.431 1.00 0.00 N ATOM 0 H GLN A 69 14.076 3.725 6.745 1.00 0.00 H new ATOM 0 HA GLN A 69 11.652 2.596 7.704 1.00 0.00 H new ATOM 0 HB2 GLN A 69 13.590 3.447 9.075 1.00 0.00 H new ATOM 0 HB3 GLN A 69 13.117 5.078 8.643 1.00 0.00 H new ATOM 0 HG2 GLN A 69 12.139 4.670 10.761 1.00 0.00 H new ATOM 0 HG3 GLN A 69 10.823 4.569 9.608 1.00 0.00 H new ATOM 0 HE21 GLN A 69 12.887 2.820 11.825 1.00 0.00 H new ATOM 0 HE22 GLN A 69 11.977 1.305 11.809 1.00 0.00 H new ATOM 1137 N GLU A 70 11.614 5.558 6.257 1.00 0.00 N ATOM 1138 CA GLU A 70 10.753 6.539 5.620 1.00 0.00 C ATOM 1139 C GLU A 70 9.939 5.874 4.525 1.00 0.00 C ATOM 1140 O GLU A 70 8.794 6.245 4.267 1.00 0.00 O ATOM 1141 CB GLU A 70 11.570 7.692 5.041 1.00 0.00 C ATOM 1142 CG GLU A 70 12.322 8.486 6.089 1.00 0.00 C ATOM 1143 CD GLU A 70 12.872 9.780 5.539 1.00 0.00 C ATOM 1144 OE1 GLU A 70 13.116 9.852 4.315 1.00 0.00 O ATOM 1145 OE2 GLU A 70 13.056 10.732 6.323 1.00 0.00 O ATOM 0 H GLU A 70 12.611 5.717 6.113 1.00 0.00 H new ATOM 0 HA GLU A 70 10.080 6.947 6.374 1.00 0.00 H new ATOM 0 HB2 GLU A 70 12.282 7.295 4.317 1.00 0.00 H new ATOM 0 HB3 GLU A 70 10.904 8.362 4.498 1.00 0.00 H new ATOM 0 HG2 GLU A 70 11.657 8.702 6.925 1.00 0.00 H new ATOM 0 HG3 GLU A 70 13.141 7.883 6.481 1.00 0.00 H new ATOM 1152 N PHE A 71 10.543 4.886 3.882 1.00 0.00 N ATOM 1153 CA PHE A 71 9.829 4.064 2.926 1.00 0.00 C ATOM 1154 C PHE A 71 8.747 3.272 3.639 1.00 0.00 C ATOM 1155 O PHE A 71 7.582 3.316 3.249 1.00 0.00 O ATOM 1156 CB PHE A 71 10.776 3.114 2.183 1.00 0.00 C ATOM 1157 CG PHE A 71 10.083 1.871 1.685 1.00 0.00 C ATOM 1158 CD1 PHE A 71 9.407 1.876 0.480 1.00 0.00 C ATOM 1159 CD2 PHE A 71 10.101 0.704 2.432 1.00 0.00 C ATOM 1160 CE1 PHE A 71 8.760 0.740 0.029 1.00 0.00 C ATOM 1161 CE2 PHE A 71 9.458 -0.428 1.989 1.00 0.00 C ATOM 1162 CZ PHE A 71 8.786 -0.413 0.786 1.00 0.00 C ATOM 0 H PHE A 71 11.524 4.637 4.007 1.00 0.00 H new ATOM 0 HA PHE A 71 9.373 4.722 2.187 1.00 0.00 H new ATOM 0 HB2 PHE A 71 11.222 3.639 1.338 1.00 0.00 H new ATOM 0 HB3 PHE A 71 11.592 2.829 2.847 1.00 0.00 H new ATOM 0 HD1 PHE A 71 9.384 2.776 -0.116 1.00 0.00 H new ATOM 0 HD2 PHE A 71 10.627 0.683 3.375 1.00 0.00 H new ATOM 0 HE1 PHE A 71 8.235 0.755 -0.915 1.00 0.00 H new ATOM 0 HE2 PHE A 71 9.480 -1.329 2.584 1.00 0.00 H new ATOM 0 HZ PHE A 71 8.281 -1.302 0.437 1.00 0.00 H new ATOM 1172 N ALA A 72 9.148 2.549 4.687 1.00 0.00 N ATOM 1173 CA ALA A 72 8.225 1.753 5.471 1.00 0.00 C ATOM 1174 C ALA A 72 7.079 2.618 5.963 1.00 0.00 C ATOM 1175 O ALA A 72 5.930 2.198 5.952 1.00 0.00 O ATOM 1176 CB ALA A 72 8.947 1.085 6.633 1.00 0.00 C ATOM 0 H ALA A 72 10.115 2.504 5.007 1.00 0.00 H new ATOM 0 HA ALA A 72 7.813 0.966 4.839 1.00 0.00 H new ATOM 0 HB1 ALA A 72 8.237 0.492 7.210 1.00 0.00 H new ATOM 0 HB2 ALA A 72 9.734 0.436 6.248 1.00 0.00 H new ATOM 0 HB3 ALA A 72 9.388 1.848 7.274 1.00 0.00 H new ATOM 1182 N ALA A 73 7.408 3.838 6.354 1.00 0.00 N ATOM 1183 CA ALA A 73 6.424 4.813 6.784 1.00 0.00 C ATOM 1184 C ALA A 73 5.369 5.051 5.702 1.00 0.00 C ATOM 1185 O ALA A 73 4.170 5.068 5.984 1.00 0.00 O ATOM 1186 CB ALA A 73 7.131 6.111 7.140 1.00 0.00 C ATOM 0 H ALA A 73 8.369 4.180 6.382 1.00 0.00 H new ATOM 0 HA ALA A 73 5.906 4.428 7.662 1.00 0.00 H new ATOM 0 HB1 ALA A 73 6.397 6.848 7.464 1.00 0.00 H new ATOM 0 HB2 ALA A 73 7.842 5.929 7.946 1.00 0.00 H new ATOM 0 HB3 ALA A 73 7.662 6.488 6.266 1.00 0.00 H new ATOM 1192 N ASP A 74 5.818 5.206 4.463 1.00 0.00 N ATOM 1193 CA ASP A 74 4.918 5.494 3.349 1.00 0.00 C ATOM 1194 C ASP A 74 4.087 4.267 2.976 1.00 0.00 C ATOM 1195 O ASP A 74 2.858 4.341 2.874 1.00 0.00 O ATOM 1196 CB ASP A 74 5.716 5.971 2.133 1.00 0.00 C ATOM 1197 CG ASP A 74 5.326 7.369 1.692 1.00 0.00 C ATOM 1198 OD1 ASP A 74 4.169 7.568 1.272 1.00 0.00 O ATOM 1199 OD2 ASP A 74 6.175 8.285 1.768 1.00 0.00 O ATOM 0 H ASP A 74 6.802 5.137 4.202 1.00 0.00 H new ATOM 0 HA ASP A 74 4.237 6.284 3.666 1.00 0.00 H new ATOM 0 HB2 ASP A 74 6.780 5.952 2.371 1.00 0.00 H new ATOM 0 HB3 ASP A 74 5.562 5.277 1.307 1.00 0.00 H new ATOM 1204 N VAL A 75 4.759 3.134 2.793 1.00 0.00 N ATOM 1205 CA VAL A 75 4.091 1.903 2.378 1.00 0.00 C ATOM 1206 C VAL A 75 3.112 1.405 3.443 1.00 0.00 C ATOM 1207 O VAL A 75 2.003 0.977 3.123 1.00 0.00 O ATOM 1208 CB VAL A 75 5.105 0.784 2.023 1.00 0.00 C ATOM 1209 CG1 VAL A 75 6.146 0.607 3.110 1.00 0.00 C ATOM 1210 CG2 VAL A 75 4.402 -0.537 1.764 1.00 0.00 C ATOM 0 H VAL A 75 5.766 3.042 2.925 1.00 0.00 H new ATOM 0 HA VAL A 75 3.527 2.148 1.478 1.00 0.00 H new ATOM 0 HB VAL A 75 5.611 1.096 1.110 1.00 0.00 H new ATOM 0 HG11 VAL A 75 6.838 -0.185 2.825 1.00 0.00 H new ATOM 0 HG12 VAL A 75 6.696 1.539 3.243 1.00 0.00 H new ATOM 0 HG13 VAL A 75 5.654 0.340 4.045 1.00 0.00 H new ATOM 0 HG21 VAL A 75 5.140 -1.300 1.518 1.00 0.00 H new ATOM 0 HG22 VAL A 75 3.853 -0.838 2.656 1.00 0.00 H new ATOM 0 HG23 VAL A 75 3.707 -0.423 0.932 1.00 0.00 H new ATOM 1220 N ARG A 76 3.507 1.485 4.708 1.00 0.00 N ATOM 1221 CA ARG A 76 2.650 1.018 5.788 1.00 0.00 C ATOM 1222 C ARG A 76 1.450 1.946 5.946 1.00 0.00 C ATOM 1223 O ARG A 76 0.375 1.517 6.359 1.00 0.00 O ATOM 1224 CB ARG A 76 3.431 0.915 7.100 1.00 0.00 C ATOM 1225 CG ARG A 76 3.632 2.249 7.803 1.00 0.00 C ATOM 1226 CD ARG A 76 4.579 2.129 8.982 1.00 0.00 C ATOM 1227 NE ARG A 76 4.944 3.438 9.512 1.00 0.00 N ATOM 1228 CZ ARG A 76 6.058 3.678 10.205 1.00 0.00 C ATOM 1229 NH1 ARG A 76 6.884 2.683 10.511 1.00 0.00 N ATOM 1230 NH2 ARG A 76 6.340 4.914 10.596 1.00 0.00 N ATOM 0 H ARG A 76 4.405 1.864 5.008 1.00 0.00 H new ATOM 0 HA ARG A 76 2.289 0.021 5.535 1.00 0.00 H new ATOM 0 HB2 ARG A 76 2.906 0.237 7.772 1.00 0.00 H new ATOM 0 HB3 ARG A 76 4.406 0.471 6.897 1.00 0.00 H new ATOM 0 HG2 ARG A 76 4.025 2.978 7.094 1.00 0.00 H new ATOM 0 HG3 ARG A 76 2.669 2.627 8.147 1.00 0.00 H new ATOM 0 HD2 ARG A 76 4.110 1.536 9.767 1.00 0.00 H new ATOM 0 HD3 ARG A 76 5.479 1.597 8.674 1.00 0.00 H new ATOM 0 HE ARG A 76 4.308 4.217 9.342 1.00 0.00 H new ATOM 0 HH11 ARG A 76 6.667 1.731 10.216 1.00 0.00 H new ATOM 0 HH12 ARG A 76 7.735 2.871 11.041 1.00 0.00 H new ATOM 0 HH21 ARG A 76 5.705 5.679 10.367 1.00 0.00 H new ATOM 0 HH22 ARG A 76 7.191 5.099 11.126 1.00 0.00 H new ATOM 1244 N LEU A 77 1.637 3.220 5.600 1.00 0.00 N ATOM 1245 CA LEU A 77 0.549 4.184 5.611 1.00 0.00 C ATOM 1246 C LEU A 77 -0.490 3.812 4.561 1.00 0.00 C ATOM 1247 O LEU A 77 -1.681 4.074 4.728 1.00 0.00 O ATOM 1248 CB LEU A 77 1.088 5.589 5.348 1.00 0.00 C ATOM 1249 CG LEU A 77 0.744 6.631 6.410 1.00 0.00 C ATOM 1250 CD1 LEU A 77 1.276 7.985 6.001 1.00 0.00 C ATOM 1251 CD2 LEU A 77 -0.757 6.683 6.637 1.00 0.00 C ATOM 0 H LEU A 77 2.536 3.604 5.309 1.00 0.00 H new ATOM 0 HA LEU A 77 0.075 4.170 6.593 1.00 0.00 H new ATOM 0 HB2 LEU A 77 2.173 5.533 5.256 1.00 0.00 H new ATOM 0 HB3 LEU A 77 0.704 5.933 4.388 1.00 0.00 H new ATOM 0 HG LEU A 77 1.217 6.346 7.350 1.00 0.00 H new ATOM 0 HD11 LEU A 77 1.025 8.721 6.765 1.00 0.00 H new ATOM 0 HD12 LEU A 77 2.359 7.932 5.890 1.00 0.00 H new ATOM 0 HD13 LEU A 77 0.828 8.280 5.052 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -0.984 7.431 7.397 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -1.257 6.949 5.705 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -1.108 5.707 6.972 1.00 0.00 H new ATOM 1263 N MET A 78 -0.029 3.193 3.482 1.00 0.00 N ATOM 1264 CA MET A 78 -0.927 2.688 2.456 1.00 0.00 C ATOM 1265 C MET A 78 -1.804 1.567 3.021 1.00 0.00 C ATOM 1266 O MET A 78 -3.027 1.588 2.870 1.00 0.00 O ATOM 1267 CB MET A 78 -0.131 2.223 1.231 1.00 0.00 C ATOM 1268 CG MET A 78 -0.955 1.458 0.211 1.00 0.00 C ATOM 1269 SD MET A 78 -0.854 -0.324 0.455 1.00 0.00 S ATOM 1270 CE MET A 78 0.839 -0.641 -0.041 1.00 0.00 C ATOM 0 H MET A 78 0.961 3.029 3.296 1.00 0.00 H new ATOM 0 HA MET A 78 -1.587 3.493 2.134 1.00 0.00 H new ATOM 0 HB2 MET A 78 0.311 3.094 0.746 1.00 0.00 H new ATOM 0 HB3 MET A 78 0.693 1.592 1.564 1.00 0.00 H new ATOM 0 HG2 MET A 78 -1.996 1.774 0.277 1.00 0.00 H new ATOM 0 HG3 MET A 78 -0.610 1.706 -0.793 1.00 0.00 H new ATOM 0 HE1 MET A 78 0.859 -1.451 -0.770 1.00 0.00 H new ATOM 0 HE2 MET A 78 1.262 0.259 -0.487 1.00 0.00 H new ATOM 0 HE3 MET A 78 1.427 -0.924 0.832 1.00 0.00 H new ATOM 1280 N PHE A 79 -1.185 0.604 3.698 1.00 0.00 N ATOM 1281 CA PHE A 79 -1.943 -0.460 4.357 1.00 0.00 C ATOM 1282 C PHE A 79 -2.868 0.118 5.435 1.00 0.00 C ATOM 1283 O PHE A 79 -3.995 -0.352 5.629 1.00 0.00 O ATOM 1284 CB PHE A 79 -1.012 -1.509 4.973 1.00 0.00 C ATOM 1285 CG PHE A 79 -0.125 -2.196 3.975 1.00 0.00 C ATOM 1286 CD1 PHE A 79 -0.664 -2.837 2.871 1.00 0.00 C ATOM 1287 CD2 PHE A 79 1.247 -2.200 4.141 1.00 0.00 C ATOM 1288 CE1 PHE A 79 0.152 -3.466 1.950 1.00 0.00 C ATOM 1289 CE2 PHE A 79 2.068 -2.829 3.227 1.00 0.00 C ATOM 1290 CZ PHE A 79 1.522 -3.461 2.129 1.00 0.00 C ATOM 0 H PHE A 79 -0.173 0.536 3.805 1.00 0.00 H new ATOM 0 HA PHE A 79 -2.551 -0.948 3.595 1.00 0.00 H new ATOM 0 HB2 PHE A 79 -0.389 -1.029 5.728 1.00 0.00 H new ATOM 0 HB3 PHE A 79 -1.614 -2.259 5.486 1.00 0.00 H new ATOM 0 HD1 PHE A 79 -1.735 -2.845 2.729 1.00 0.00 H new ATOM 0 HD2 PHE A 79 1.682 -1.705 4.996 1.00 0.00 H new ATOM 0 HE1 PHE A 79 -0.280 -3.960 1.092 1.00 0.00 H new ATOM 0 HE2 PHE A 79 3.138 -2.826 3.371 1.00 0.00 H new ATOM 0 HZ PHE A 79 2.164 -3.951 1.411 1.00 0.00 H new ATOM 1300 N SER A 80 -2.391 1.154 6.118 1.00 0.00 N ATOM 1301 CA SER A 80 -3.146 1.783 7.193 1.00 0.00 C ATOM 1302 C SER A 80 -4.426 2.442 6.676 1.00 0.00 C ATOM 1303 O SER A 80 -5.498 2.252 7.258 1.00 0.00 O ATOM 1304 CB SER A 80 -2.278 2.817 7.916 1.00 0.00 C ATOM 1305 OG SER A 80 -1.120 2.212 8.476 1.00 0.00 O ATOM 0 H SER A 80 -1.479 1.577 5.943 1.00 0.00 H new ATOM 0 HA SER A 80 -3.434 1.000 7.894 1.00 0.00 H new ATOM 0 HB2 SER A 80 -1.981 3.599 7.218 1.00 0.00 H new ATOM 0 HB3 SER A 80 -2.859 3.296 8.704 1.00 0.00 H new ATOM 0 HG SER A 80 -0.519 1.927 7.756 1.00 0.00 H new ATOM 1311 N ASN A 81 -4.329 3.206 5.586 1.00 0.00 N ATOM 1312 CA ASN A 81 -5.502 3.912 5.075 1.00 0.00 C ATOM 1313 C ASN A 81 -6.549 2.921 4.563 1.00 0.00 C ATOM 1314 O ASN A 81 -7.749 3.179 4.653 1.00 0.00 O ATOM 1315 CB ASN A 81 -5.152 4.964 3.998 1.00 0.00 C ATOM 1316 CG ASN A 81 -4.717 4.389 2.663 1.00 0.00 C ATOM 1317 OD1 ASN A 81 -5.542 4.004 1.839 1.00 0.00 O ATOM 1318 ND2 ASN A 81 -3.422 4.392 2.411 1.00 0.00 N ATOM 0 H ASN A 81 -3.472 3.349 5.052 1.00 0.00 H new ATOM 0 HA ASN A 81 -5.926 4.465 5.913 1.00 0.00 H new ATOM 0 HB2 ASN A 81 -6.021 5.601 3.837 1.00 0.00 H new ATOM 0 HB3 ASN A 81 -4.355 5.602 4.379 1.00 0.00 H new ATOM 0 HD21 ASN A 81 -3.078 4.067 1.507 1.00 0.00 H new ATOM 0 HD22 ASN A 81 -2.765 4.719 3.120 1.00 0.00 H new ATOM 1325 N CYS A 82 -6.096 1.774 4.061 1.00 0.00 N ATOM 1326 CA CYS A 82 -7.026 0.704 3.657 1.00 0.00 C ATOM 1327 C CYS A 82 -7.897 0.270 4.834 1.00 0.00 C ATOM 1328 O CYS A 82 -9.124 0.224 4.715 1.00 0.00 O ATOM 1329 CB CYS A 82 -6.297 -0.529 3.073 1.00 0.00 C ATOM 1330 SG CYS A 82 -7.320 -2.013 2.997 1.00 0.00 S ATOM 0 H CYS A 82 -5.109 1.557 3.923 1.00 0.00 H new ATOM 0 HA CYS A 82 -7.653 1.123 2.870 1.00 0.00 H new ATOM 0 HB2 CYS A 82 -5.946 -0.290 2.069 1.00 0.00 H new ATOM 0 HB3 CYS A 82 -5.415 -0.738 3.678 1.00 0.00 H new ATOM 0 HG CYS A 82 -8.543 -1.682 2.706 1.00 0.00 H new ATOM 1336 N TYR A 83 -7.279 -0.019 5.980 1.00 0.00 N ATOM 1337 CA TYR A 83 -8.045 -0.477 7.138 1.00 0.00 C ATOM 1338 C TYR A 83 -8.976 0.623 7.648 1.00 0.00 C ATOM 1339 O TYR A 83 -9.978 0.339 8.304 1.00 0.00 O ATOM 1340 CB TYR A 83 -7.138 -0.927 8.290 1.00 0.00 C ATOM 1341 CG TYR A 83 -6.244 -2.119 7.985 1.00 0.00 C ATOM 1342 CD1 TYR A 83 -6.714 -3.194 7.237 1.00 0.00 C ATOM 1343 CD2 TYR A 83 -4.932 -2.179 8.464 1.00 0.00 C ATOM 1344 CE1 TYR A 83 -5.909 -4.289 6.974 1.00 0.00 C ATOM 1345 CE2 TYR A 83 -4.127 -3.271 8.202 1.00 0.00 C ATOM 1346 CZ TYR A 83 -4.618 -4.321 7.460 1.00 0.00 C ATOM 1347 OH TYR A 83 -3.811 -5.406 7.197 1.00 0.00 O ATOM 0 H TYR A 83 -6.273 0.054 6.130 1.00 0.00 H new ATOM 0 HA TYR A 83 -8.630 -1.332 6.800 1.00 0.00 H new ATOM 0 HB2 TYR A 83 -6.508 -0.087 8.584 1.00 0.00 H new ATOM 0 HB3 TYR A 83 -7.763 -1.173 9.148 1.00 0.00 H new ATOM 0 HD1 TYR A 83 -7.724 -3.174 6.855 1.00 0.00 H new ATOM 0 HD2 TYR A 83 -4.541 -1.359 9.048 1.00 0.00 H new ATOM 0 HE1 TYR A 83 -6.290 -5.115 6.391 1.00 0.00 H new ATOM 0 HE2 TYR A 83 -3.115 -3.301 8.578 1.00 0.00 H new ATOM 0 HH TYR A 83 -2.933 -5.269 7.611 1.00 0.00 H new ATOM 1357 N LYS A 84 -8.634 1.880 7.360 1.00 0.00 N ATOM 1358 CA LYS A 84 -9.504 3.002 7.704 1.00 0.00 C ATOM 1359 C LYS A 84 -10.825 2.896 6.971 1.00 0.00 C ATOM 1360 O LYS A 84 -11.897 2.928 7.574 1.00 0.00 O ATOM 1361 CB LYS A 84 -8.884 4.339 7.305 1.00 0.00 C ATOM 1362 CG LYS A 84 -7.807 4.871 8.226 1.00 0.00 C ATOM 1363 CD LYS A 84 -8.358 5.947 9.152 1.00 0.00 C ATOM 1364 CE LYS A 84 -9.317 6.890 8.425 1.00 0.00 C ATOM 1365 NZ LYS A 84 -9.445 8.197 9.123 1.00 0.00 N ATOM 0 H LYS A 84 -7.767 2.144 6.893 1.00 0.00 H new ATOM 0 HA LYS A 84 -9.646 2.961 8.784 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -8.462 4.237 6.305 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -9.679 5.081 7.241 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -7.395 4.054 8.818 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -6.988 5.281 7.634 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -8.876 5.476 9.988 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -7.533 6.522 9.572 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -8.962 7.055 7.408 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -10.298 6.422 8.348 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -10.104 8.808 8.599 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -9.808 8.043 10.085 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -8.513 8.656 9.174 1.00 0.00 H new ATOM 1379 N TYR A 85 -10.732 2.765 5.658 1.00 0.00 N ATOM 1380 CA TYR A 85 -11.894 2.861 4.808 1.00 0.00 C ATOM 1381 C TYR A 85 -12.695 1.571 4.816 1.00 0.00 C ATOM 1382 O TYR A 85 -13.923 1.583 4.910 1.00 0.00 O ATOM 1383 CB TYR A 85 -11.484 3.194 3.376 1.00 0.00 C ATOM 1384 CG TYR A 85 -12.677 3.500 2.498 1.00 0.00 C ATOM 1385 CD1 TYR A 85 -13.234 4.760 2.539 1.00 0.00 C ATOM 1386 CD2 TYR A 85 -13.261 2.549 1.665 1.00 0.00 C ATOM 1387 CE1 TYR A 85 -14.340 5.082 1.778 1.00 0.00 C ATOM 1388 CE2 TYR A 85 -14.364 2.858 0.898 1.00 0.00 C ATOM 1389 CZ TYR A 85 -14.900 4.128 0.959 1.00 0.00 C ATOM 1390 OH TYR A 85 -16.006 4.442 0.205 1.00 0.00 O ATOM 0 H TYR A 85 -9.858 2.591 5.162 1.00 0.00 H new ATOM 0 HA TYR A 85 -12.520 3.661 5.202 1.00 0.00 H new ATOM 0 HB2 TYR A 85 -10.810 4.051 3.382 1.00 0.00 H new ATOM 0 HB3 TYR A 85 -10.930 2.356 2.954 1.00 0.00 H new ATOM 0 HD1 TYR A 85 -12.796 5.511 3.180 1.00 0.00 H new ATOM 0 HD2 TYR A 85 -12.843 1.554 1.619 1.00 0.00 H new ATOM 0 HE1 TYR A 85 -14.763 6.075 1.825 1.00 0.00 H new ATOM 0 HE2 TYR A 85 -14.805 2.112 0.254 1.00 0.00 H new ATOM 0 HH TYR A 85 -16.805 4.053 0.619 1.00 0.00 H new ATOM 1400 N ASN A 86 -11.991 0.459 4.721 1.00 0.00 N ATOM 1401 CA ASN A 86 -12.625 -0.825 4.510 1.00 0.00 C ATOM 1402 C ASN A 86 -12.902 -1.509 5.837 1.00 0.00 C ATOM 1403 O ASN A 86 -12.007 -1.644 6.673 1.00 0.00 O ATOM 1404 CB ASN A 86 -11.726 -1.715 3.653 1.00 0.00 C ATOM 1405 CG ASN A 86 -11.120 -0.979 2.475 1.00 0.00 C ATOM 1406 OD1 ASN A 86 -9.980 -1.222 2.103 1.00 0.00 O ATOM 1407 ND2 ASN A 86 -11.882 -0.096 1.862 1.00 0.00 N ATOM 0 H ASN A 86 -10.974 0.421 4.787 1.00 0.00 H new ATOM 0 HA ASN A 86 -13.572 -0.661 3.995 1.00 0.00 H new ATOM 0 HB2 ASN A 86 -10.926 -2.119 4.273 1.00 0.00 H new ATOM 0 HB3 ASN A 86 -12.305 -2.563 3.287 1.00 0.00 H new ATOM 0 HD21 ASN A 86 -11.526 0.409 1.051 1.00 0.00 H new ATOM 0 HD22 ASN A 86 -12.828 0.082 2.199 1.00 0.00 H new ATOM 1414 N PRO A 87 -14.154 -1.934 6.055 1.00 0.00 N ATOM 1415 CA PRO A 87 -14.524 -2.708 7.239 1.00 0.00 C ATOM 1416 C PRO A 87 -13.840 -4.074 7.242 1.00 0.00 C ATOM 1417 O PRO A 87 -13.442 -4.577 6.190 1.00 0.00 O ATOM 1418 CB PRO A 87 -16.045 -2.857 7.117 1.00 0.00 C ATOM 1419 CG PRO A 87 -16.349 -2.638 5.677 1.00 0.00 C ATOM 1420 CD PRO A 87 -15.305 -1.685 5.170 1.00 0.00 C ATOM 0 HA PRO A 87 -14.219 -2.225 8.167 1.00 0.00 H new ATOM 0 HB2 PRO A 87 -16.370 -3.846 7.441 1.00 0.00 H new ATOM 0 HB3 PRO A 87 -16.562 -2.130 7.743 1.00 0.00 H new ATOM 0 HG2 PRO A 87 -16.319 -3.578 5.125 1.00 0.00 H new ATOM 0 HG3 PRO A 87 -17.349 -2.224 5.549 1.00 0.00 H new ATOM 0 HD2 PRO A 87 -15.058 -1.878 4.126 1.00 0.00 H new ATOM 0 HD3 PRO A 87 -15.642 -0.650 5.231 1.00 0.00 H new ATOM 1428 N PRO A 88 -13.705 -4.680 8.442 1.00 0.00 N ATOM 1429 CA PRO A 88 -12.909 -5.903 8.677 1.00 0.00 C ATOM 1430 C PRO A 88 -13.218 -7.049 7.722 1.00 0.00 C ATOM 1431 O PRO A 88 -12.395 -7.946 7.539 1.00 0.00 O ATOM 1432 CB PRO A 88 -13.280 -6.313 10.110 1.00 0.00 C ATOM 1433 CG PRO A 88 -14.463 -5.481 10.474 1.00 0.00 C ATOM 1434 CD PRO A 88 -14.327 -4.215 9.687 1.00 0.00 C ATOM 0 HA PRO A 88 -11.851 -5.697 8.519 1.00 0.00 H new ATOM 0 HB2 PRO A 88 -13.517 -7.376 10.164 1.00 0.00 H new ATOM 0 HB3 PRO A 88 -12.451 -6.136 10.795 1.00 0.00 H new ATOM 0 HG2 PRO A 88 -15.393 -5.995 10.231 1.00 0.00 H new ATOM 0 HG3 PRO A 88 -14.483 -5.276 11.544 1.00 0.00 H new ATOM 0 HD2 PRO A 88 -15.293 -3.744 9.507 1.00 0.00 H new ATOM 0 HD3 PRO A 88 -13.706 -3.482 10.202 1.00 0.00 H new ATOM 1442 N ASP A 89 -14.397 -7.023 7.125 1.00 0.00 N ATOM 1443 CA ASP A 89 -14.802 -8.066 6.192 1.00 0.00 C ATOM 1444 C ASP A 89 -14.885 -7.519 4.776 1.00 0.00 C ATOM 1445 O ASP A 89 -15.959 -7.124 4.317 1.00 0.00 O ATOM 1446 CB ASP A 89 -16.155 -8.679 6.586 1.00 0.00 C ATOM 1447 CG ASP A 89 -16.126 -9.338 7.949 1.00 0.00 C ATOM 1448 OD1 ASP A 89 -15.813 -10.544 8.019 1.00 0.00 O ATOM 1449 OD2 ASP A 89 -16.431 -8.661 8.952 1.00 0.00 O ATOM 0 H ASP A 89 -15.093 -6.291 7.268 1.00 0.00 H new ATOM 0 HA ASP A 89 -14.043 -8.848 6.232 1.00 0.00 H new ATOM 0 HB2 ASP A 89 -16.917 -7.900 6.580 1.00 0.00 H new ATOM 0 HB3 ASP A 89 -16.447 -9.416 5.837 1.00 0.00 H new ATOM 1454 N HIS A 90 -13.749 -7.476 4.092 1.00 0.00 N ATOM 1455 CA HIS A 90 -13.712 -7.077 2.691 1.00 0.00 C ATOM 1456 C HIS A 90 -12.418 -7.566 2.046 1.00 0.00 C ATOM 1457 O HIS A 90 -11.455 -7.863 2.748 1.00 0.00 O ATOM 1458 CB HIS A 90 -13.820 -5.549 2.540 1.00 0.00 C ATOM 1459 CG HIS A 90 -14.640 -5.119 1.339 1.00 0.00 C ATOM 1460 ND1 HIS A 90 -14.110 -4.996 0.071 1.00 0.00 N ATOM 1461 CD2 HIS A 90 -15.964 -4.802 1.206 1.00 0.00 C ATOM 1462 CE1 HIS A 90 -15.054 -4.630 -0.773 1.00 0.00 C ATOM 1463 NE2 HIS A 90 -16.186 -4.506 -0.115 1.00 0.00 N ATOM 0 H HIS A 90 -12.839 -7.713 4.486 1.00 0.00 H new ATOM 0 HA HIS A 90 -14.567 -7.530 2.190 1.00 0.00 H new ATOM 0 HB2 HIS A 90 -14.266 -5.133 3.443 1.00 0.00 H new ATOM 0 HB3 HIS A 90 -12.818 -5.128 2.456 1.00 0.00 H new ATOM 0 HD1 HIS A 90 -13.135 -5.163 -0.176 1.00 0.00 H new ATOM 0 HD2 HIS A 90 -16.700 -4.787 1.996 1.00 0.00 H new ATOM 0 HE1 HIS A 90 -14.920 -4.460 -1.831 1.00 0.00 H new ATOM 1472 N ASP A 91 -12.399 -7.663 0.729 1.00 0.00 N ATOM 1473 CA ASP A 91 -11.204 -8.100 -0.005 1.00 0.00 C ATOM 1474 C ASP A 91 -9.955 -7.311 0.382 1.00 0.00 C ATOM 1475 O ASP A 91 -8.927 -7.892 0.731 1.00 0.00 O ATOM 1476 CB ASP A 91 -11.418 -7.970 -1.534 1.00 0.00 C ATOM 1477 CG ASP A 91 -12.187 -6.722 -1.937 1.00 0.00 C ATOM 1478 OD1 ASP A 91 -12.985 -6.810 -2.885 1.00 0.00 O ATOM 1479 OD2 ASP A 91 -12.031 -5.669 -1.286 1.00 0.00 O ATOM 0 H ASP A 91 -13.198 -7.446 0.134 1.00 0.00 H new ATOM 0 HA ASP A 91 -11.048 -9.144 0.267 1.00 0.00 H new ATOM 0 HB2 ASP A 91 -10.447 -7.964 -2.029 1.00 0.00 H new ATOM 0 HB3 ASP A 91 -11.954 -8.849 -1.893 1.00 0.00 H new ATOM 1484 N VAL A 92 -10.055 -5.997 0.331 1.00 0.00 N ATOM 1485 CA VAL A 92 -8.898 -5.135 0.453 1.00 0.00 C ATOM 1486 C VAL A 92 -8.258 -5.180 1.832 1.00 0.00 C ATOM 1487 O VAL A 92 -7.073 -4.896 1.964 1.00 0.00 O ATOM 1488 CB VAL A 92 -9.212 -3.689 0.020 1.00 0.00 C ATOM 1489 CG1 VAL A 92 -8.815 -3.503 -1.422 1.00 0.00 C ATOM 1490 CG2 VAL A 92 -10.685 -3.381 0.180 1.00 0.00 C ATOM 0 H VAL A 92 -10.937 -5.500 0.204 1.00 0.00 H new ATOM 0 HA VAL A 92 -8.156 -5.534 -0.238 1.00 0.00 H new ATOM 0 HB VAL A 92 -8.647 -3.007 0.656 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -9.036 -2.481 -1.731 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -7.747 -3.693 -1.533 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -9.374 -4.200 -2.046 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -10.878 -2.355 -0.133 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -11.269 -4.064 -0.437 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -10.971 -3.502 1.225 1.00 0.00 H new ATOM 1500 N VAL A 93 -9.001 -5.594 2.849 1.00 0.00 N ATOM 1501 CA VAL A 93 -8.408 -5.739 4.167 1.00 0.00 C ATOM 1502 C VAL A 93 -7.646 -7.056 4.237 1.00 0.00 C ATOM 1503 O VAL A 93 -6.594 -7.147 4.865 1.00 0.00 O ATOM 1504 CB VAL A 93 -9.450 -5.661 5.309 1.00 0.00 C ATOM 1505 CG1 VAL A 93 -10.243 -4.373 5.205 1.00 0.00 C ATOM 1506 CG2 VAL A 93 -10.387 -6.854 5.302 1.00 0.00 C ATOM 0 H VAL A 93 -9.992 -5.830 2.789 1.00 0.00 H new ATOM 0 HA VAL A 93 -7.726 -4.901 4.312 1.00 0.00 H new ATOM 0 HB VAL A 93 -8.906 -5.676 6.253 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -10.973 -4.329 6.013 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -9.566 -3.522 5.280 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -10.761 -4.341 4.246 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -11.102 -6.760 6.119 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -10.923 -6.890 4.353 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -9.810 -7.770 5.428 1.00 0.00 H new ATOM 1516 N ALA A 94 -8.167 -8.063 3.545 1.00 0.00 N ATOM 1517 CA ALA A 94 -7.522 -9.364 3.476 1.00 0.00 C ATOM 1518 C ALA A 94 -6.243 -9.279 2.652 1.00 0.00 C ATOM 1519 O ALA A 94 -5.209 -9.831 3.032 1.00 0.00 O ATOM 1520 CB ALA A 94 -8.472 -10.400 2.890 1.00 0.00 C ATOM 0 H ALA A 94 -9.040 -8.000 3.021 1.00 0.00 H new ATOM 0 HA ALA A 94 -7.259 -9.675 4.487 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -7.973 -11.368 2.846 1.00 0.00 H new ATOM 0 HB2 ALA A 94 -9.359 -10.478 3.519 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -8.766 -10.097 1.885 1.00 0.00 H new ATOM 1526 N MET A 95 -6.312 -8.566 1.533 1.00 0.00 N ATOM 1527 CA MET A 95 -5.146 -8.375 0.682 1.00 0.00 C ATOM 1528 C MET A 95 -4.111 -7.501 1.391 1.00 0.00 C ATOM 1529 O MET A 95 -2.909 -7.732 1.262 1.00 0.00 O ATOM 1530 CB MET A 95 -5.538 -7.765 -0.672 1.00 0.00 C ATOM 1531 CG MET A 95 -6.401 -8.682 -1.541 1.00 0.00 C ATOM 1532 SD MET A 95 -6.665 -8.022 -3.203 1.00 0.00 S ATOM 1533 CE MET A 95 -8.122 -6.999 -2.979 1.00 0.00 C ATOM 0 H MET A 95 -7.161 -8.112 1.196 1.00 0.00 H new ATOM 0 HA MET A 95 -4.704 -9.352 0.488 1.00 0.00 H new ATOM 0 HB2 MET A 95 -6.077 -6.834 -0.497 1.00 0.00 H new ATOM 0 HB3 MET A 95 -4.631 -7.510 -1.220 1.00 0.00 H new ATOM 0 HG2 MET A 95 -5.925 -9.660 -1.614 1.00 0.00 H new ATOM 0 HG3 MET A 95 -7.366 -8.832 -1.057 1.00 0.00 H new ATOM 0 HE1 MET A 95 -8.949 -7.412 -3.557 1.00 0.00 H new ATOM 0 HE2 MET A 95 -8.392 -6.977 -1.923 1.00 0.00 H new ATOM 0 HE3 MET A 95 -7.911 -5.986 -3.320 1.00 0.00 H new ATOM 1543 N ALA A 96 -4.581 -6.520 2.169 1.00 0.00 N ATOM 1544 CA ALA A 96 -3.683 -5.642 2.916 1.00 0.00 C ATOM 1545 C ALA A 96 -2.963 -6.420 4.014 1.00 0.00 C ATOM 1546 O ALA A 96 -1.817 -6.127 4.340 1.00 0.00 O ATOM 1547 CB ALA A 96 -4.441 -4.463 3.512 1.00 0.00 C ATOM 0 H ALA A 96 -5.573 -6.317 2.296 1.00 0.00 H new ATOM 0 HA ALA A 96 -2.940 -5.252 2.221 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -3.749 -3.826 4.062 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -4.906 -3.887 2.712 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -5.212 -4.831 4.189 1.00 0.00 H new ATOM 1553 N ARG A 97 -3.638 -7.419 4.580 1.00 0.00 N ATOM 1554 CA ARG A 97 -3.034 -8.255 5.616 1.00 0.00 C ATOM 1555 C ARG A 97 -1.958 -9.157 5.025 1.00 0.00 C ATOM 1556 O ARG A 97 -0.851 -9.237 5.547 1.00 0.00 O ATOM 1557 CB ARG A 97 -4.086 -9.115 6.324 1.00 0.00 C ATOM 1558 CG ARG A 97 -5.079 -8.321 7.151 1.00 0.00 C ATOM 1559 CD ARG A 97 -6.047 -9.230 7.893 1.00 0.00 C ATOM 1560 NE ARG A 97 -6.713 -10.179 7.001 1.00 0.00 N ATOM 1561 CZ ARG A 97 -8.018 -10.449 7.029 1.00 0.00 C ATOM 1562 NH1 ARG A 97 -8.827 -9.780 7.843 1.00 0.00 N ATOM 1563 NH2 ARG A 97 -8.514 -11.378 6.225 1.00 0.00 N ATOM 0 H ARG A 97 -4.598 -7.668 4.341 1.00 0.00 H new ATOM 0 HA ARG A 97 -2.581 -7.585 6.347 1.00 0.00 H new ATOM 0 HB2 ARG A 97 -4.631 -9.692 5.577 1.00 0.00 H new ATOM 0 HB3 ARG A 97 -3.579 -9.830 6.972 1.00 0.00 H new ATOM 0 HG2 ARG A 97 -4.541 -7.700 7.867 1.00 0.00 H new ATOM 0 HG3 ARG A 97 -5.638 -7.648 6.501 1.00 0.00 H new ATOM 0 HD2 ARG A 97 -5.507 -9.778 8.665 1.00 0.00 H new ATOM 0 HD3 ARG A 97 -6.797 -8.622 8.399 1.00 0.00 H new ATOM 0 HE ARG A 97 -6.141 -10.667 6.312 1.00 0.00 H new ATOM 0 HH11 ARG A 97 -8.451 -9.054 8.452 1.00 0.00 H new ATOM 0 HH12 ARG A 97 -9.824 -9.992 7.859 1.00 0.00 H new ATOM 0 HH21 ARG A 97 -7.898 -11.883 5.588 1.00 0.00 H new ATOM 0 HH22 ARG A 97 -9.512 -11.588 6.243 1.00 0.00 H new ATOM 1577 N LYS A 98 -2.289 -9.820 3.930 1.00 0.00 N ATOM 1578 CA LYS A 98 -1.381 -10.776 3.312 1.00 0.00 C ATOM 1579 C LYS A 98 -0.140 -10.073 2.754 1.00 0.00 C ATOM 1580 O LYS A 98 0.991 -10.535 2.937 1.00 0.00 O ATOM 1581 CB LYS A 98 -2.116 -11.534 2.210 1.00 0.00 C ATOM 1582 CG LYS A 98 -1.343 -12.715 1.656 1.00 0.00 C ATOM 1583 CD LYS A 98 -2.098 -13.393 0.528 1.00 0.00 C ATOM 1584 CE LYS A 98 -1.351 -14.609 0.027 1.00 0.00 C ATOM 1585 NZ LYS A 98 -1.065 -15.573 1.122 1.00 0.00 N ATOM 0 H LYS A 98 -3.182 -9.715 3.448 1.00 0.00 H new ATOM 0 HA LYS A 98 -1.044 -11.484 4.069 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -3.070 -11.888 2.600 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -2.340 -10.845 1.396 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -0.372 -12.378 1.294 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -1.154 -13.434 2.453 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -3.088 -13.688 0.875 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -2.244 -12.689 -0.291 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -1.938 -15.103 -0.747 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -0.415 -14.295 -0.435 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -0.821 -16.498 0.715 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -0.268 -15.224 1.692 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -1.906 -15.672 1.726 1.00 0.00 H new ATOM 1599 N LEU A 99 -0.357 -8.952 2.077 1.00 0.00 N ATOM 1600 CA LEU A 99 0.744 -8.129 1.590 1.00 0.00 C ATOM 1601 C LEU A 99 1.528 -7.514 2.746 1.00 0.00 C ATOM 1602 O LEU A 99 2.702 -7.172 2.594 1.00 0.00 O ATOM 1603 CB LEU A 99 0.250 -7.015 0.668 1.00 0.00 C ATOM 1604 CG LEU A 99 0.243 -7.303 -0.840 1.00 0.00 C ATOM 1605 CD1 LEU A 99 0.799 -6.111 -1.577 1.00 0.00 C ATOM 1606 CD2 LEU A 99 1.060 -8.530 -1.207 1.00 0.00 C ATOM 0 H LEU A 99 -1.285 -8.592 1.853 1.00 0.00 H new ATOM 0 HA LEU A 99 1.400 -8.789 1.023 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -0.765 -6.755 0.967 1.00 0.00 H new ATOM 0 HB3 LEU A 99 0.869 -6.134 0.841 1.00 0.00 H new ATOM 0 HG LEU A 99 -0.791 -7.496 -1.126 1.00 0.00 H new ATOM 0 HD11 LEU A 99 0.796 -6.312 -2.648 1.00 0.00 H new ATOM 0 HD12 LEU A 99 0.183 -5.236 -1.370 1.00 0.00 H new ATOM 0 HD13 LEU A 99 1.820 -5.923 -1.246 1.00 0.00 H new ATOM 0 HD21 LEU A 99 1.019 -8.685 -2.285 1.00 0.00 H new ATOM 0 HD22 LEU A 99 2.096 -8.383 -0.901 1.00 0.00 H new ATOM 0 HD23 LEU A 99 0.652 -9.404 -0.699 1.00 0.00 H new ATOM 1618 N GLN A 100 0.883 -7.360 3.895 1.00 0.00 N ATOM 1619 CA GLN A 100 1.580 -6.898 5.085 1.00 0.00 C ATOM 1620 C GLN A 100 2.612 -7.935 5.487 1.00 0.00 C ATOM 1621 O GLN A 100 3.750 -7.604 5.793 1.00 0.00 O ATOM 1622 CB GLN A 100 0.610 -6.660 6.245 1.00 0.00 C ATOM 1623 CG GLN A 100 1.268 -6.064 7.480 1.00 0.00 C ATOM 1624 CD GLN A 100 1.553 -4.582 7.331 1.00 0.00 C ATOM 1625 OE1 GLN A 100 2.628 -4.181 6.891 1.00 0.00 O ATOM 1626 NE2 GLN A 100 0.585 -3.759 7.699 1.00 0.00 N ATOM 0 H GLN A 100 -0.111 -7.546 4.027 1.00 0.00 H new ATOM 0 HA GLN A 100 2.065 -5.949 4.856 1.00 0.00 H new ATOM 0 HB2 GLN A 100 -0.186 -5.994 5.911 1.00 0.00 H new ATOM 0 HB3 GLN A 100 0.141 -7.606 6.515 1.00 0.00 H new ATOM 0 HG2 GLN A 100 0.621 -6.221 8.343 1.00 0.00 H new ATOM 0 HG3 GLN A 100 2.201 -6.591 7.680 1.00 0.00 H new ATOM 0 HE21 GLN A 100 -0.293 -4.133 8.059 1.00 0.00 H new ATOM 0 HE22 GLN A 100 0.716 -2.750 7.622 1.00 0.00 H new ATOM 1635 N ASP A 101 2.203 -9.199 5.448 1.00 0.00 N ATOM 1636 CA ASP A 101 3.075 -10.309 5.816 1.00 0.00 C ATOM 1637 C ASP A 101 4.353 -10.311 4.987 1.00 0.00 C ATOM 1638 O ASP A 101 5.450 -10.373 5.539 1.00 0.00 O ATOM 1639 CB ASP A 101 2.347 -11.646 5.659 1.00 0.00 C ATOM 1640 CG ASP A 101 1.314 -11.877 6.743 1.00 0.00 C ATOM 1641 OD1 ASP A 101 0.107 -11.727 6.471 1.00 0.00 O ATOM 1642 OD2 ASP A 101 1.704 -12.220 7.878 1.00 0.00 O ATOM 0 H ASP A 101 1.265 -9.482 5.163 1.00 0.00 H new ATOM 0 HA ASP A 101 3.348 -10.176 6.863 1.00 0.00 H new ATOM 0 HB2 ASP A 101 1.859 -11.678 4.685 1.00 0.00 H new ATOM 0 HB3 ASP A 101 3.075 -12.457 5.678 1.00 0.00 H new ATOM 1647 N VAL A 102 4.217 -10.231 3.664 1.00 0.00 N ATOM 1648 CA VAL A 102 5.391 -10.220 2.788 1.00 0.00 C ATOM 1649 C VAL A 102 6.271 -8.995 3.047 1.00 0.00 C ATOM 1650 O VAL A 102 7.459 -9.140 3.322 1.00 0.00 O ATOM 1651 CB VAL A 102 5.012 -10.311 1.286 1.00 0.00 C ATOM 1652 CG1 VAL A 102 3.843 -9.421 0.953 1.00 0.00 C ATOM 1653 CG2 VAL A 102 6.187 -9.964 0.384 1.00 0.00 C ATOM 0 H VAL A 102 3.321 -10.174 3.180 1.00 0.00 H new ATOM 0 HA VAL A 102 5.964 -11.114 3.032 1.00 0.00 H new ATOM 0 HB VAL A 102 4.728 -11.347 1.104 1.00 0.00 H new ATOM 0 HG11 VAL A 102 3.607 -9.512 -0.107 1.00 0.00 H new ATOM 0 HG12 VAL A 102 2.978 -9.721 1.544 1.00 0.00 H new ATOM 0 HG13 VAL A 102 4.097 -8.386 1.181 1.00 0.00 H new ATOM 0 HG21 VAL A 102 5.880 -10.040 -0.659 1.00 0.00 H new ATOM 0 HG22 VAL A 102 6.517 -8.946 0.592 1.00 0.00 H new ATOM 0 HG23 VAL A 102 7.007 -10.657 0.572 1.00 0.00 H new ATOM 1663 N PHE A 103 5.684 -7.805 2.984 1.00 0.00 N ATOM 1664 CA PHE A 103 6.418 -6.559 3.241 1.00 0.00 C ATOM 1665 C PHE A 103 7.104 -6.589 4.612 1.00 0.00 C ATOM 1666 O PHE A 103 8.247 -6.153 4.750 1.00 0.00 O ATOM 1667 CB PHE A 103 5.475 -5.346 3.120 1.00 0.00 C ATOM 1668 CG PHE A 103 5.912 -4.139 3.921 1.00 0.00 C ATOM 1669 CD1 PHE A 103 7.110 -3.500 3.634 1.00 0.00 C ATOM 1670 CD2 PHE A 103 5.133 -3.646 4.967 1.00 0.00 C ATOM 1671 CE1 PHE A 103 7.524 -2.407 4.368 1.00 0.00 C ATOM 1672 CE2 PHE A 103 5.546 -2.551 5.700 1.00 0.00 C ATOM 1673 CZ PHE A 103 6.742 -1.931 5.401 1.00 0.00 C ATOM 0 H PHE A 103 4.699 -7.671 2.757 1.00 0.00 H new ATOM 0 HA PHE A 103 7.200 -6.464 2.487 1.00 0.00 H new ATOM 0 HB2 PHE A 103 5.398 -5.063 2.070 1.00 0.00 H new ATOM 0 HB3 PHE A 103 4.477 -5.642 3.444 1.00 0.00 H new ATOM 0 HD1 PHE A 103 7.727 -3.863 2.825 1.00 0.00 H new ATOM 0 HD2 PHE A 103 4.196 -4.126 5.207 1.00 0.00 H new ATOM 0 HE1 PHE A 103 8.461 -1.924 4.134 1.00 0.00 H new ATOM 0 HE2 PHE A 103 4.933 -2.180 6.508 1.00 0.00 H new ATOM 0 HZ PHE A 103 7.066 -1.075 5.974 1.00 0.00 H new ATOM 1683 N GLU A 104 6.428 -7.147 5.602 1.00 0.00 N ATOM 1684 CA GLU A 104 6.933 -7.161 6.957 1.00 0.00 C ATOM 1685 C GLU A 104 8.039 -8.205 7.111 1.00 0.00 C ATOM 1686 O GLU A 104 9.025 -7.974 7.806 1.00 0.00 O ATOM 1687 CB GLU A 104 5.765 -7.409 7.915 1.00 0.00 C ATOM 1688 CG GLU A 104 6.145 -8.097 9.199 1.00 0.00 C ATOM 1689 CD GLU A 104 4.965 -8.278 10.126 1.00 0.00 C ATOM 1690 OE1 GLU A 104 4.360 -9.370 10.119 1.00 0.00 O ATOM 1691 OE2 GLU A 104 4.632 -7.324 10.862 1.00 0.00 O ATOM 0 H GLU A 104 5.521 -7.599 5.487 1.00 0.00 H new ATOM 0 HA GLU A 104 7.381 -6.198 7.200 1.00 0.00 H new ATOM 0 HB2 GLU A 104 5.299 -6.453 8.154 1.00 0.00 H new ATOM 0 HB3 GLU A 104 5.014 -8.011 7.404 1.00 0.00 H new ATOM 0 HG2 GLU A 104 6.578 -9.071 8.972 1.00 0.00 H new ATOM 0 HG3 GLU A 104 6.916 -7.516 9.705 1.00 0.00 H new ATOM 1698 N PHE A 105 7.886 -9.340 6.441 1.00 0.00 N ATOM 1699 CA PHE A 105 8.914 -10.374 6.450 1.00 0.00 C ATOM 1700 C PHE A 105 10.136 -9.911 5.659 1.00 0.00 C ATOM 1701 O PHE A 105 11.278 -10.192 6.027 1.00 0.00 O ATOM 1702 CB PHE A 105 8.366 -11.679 5.863 1.00 0.00 C ATOM 1703 CG PHE A 105 9.357 -12.808 5.872 1.00 0.00 C ATOM 1704 CD1 PHE A 105 9.656 -13.472 7.051 1.00 0.00 C ATOM 1705 CD2 PHE A 105 9.989 -13.207 4.705 1.00 0.00 C ATOM 1706 CE1 PHE A 105 10.567 -14.511 7.066 1.00 0.00 C ATOM 1707 CE2 PHE A 105 10.900 -14.244 4.713 1.00 0.00 C ATOM 1708 CZ PHE A 105 11.189 -14.897 5.895 1.00 0.00 C ATOM 0 H PHE A 105 7.062 -9.568 5.885 1.00 0.00 H new ATOM 0 HA PHE A 105 9.213 -10.557 7.482 1.00 0.00 H new ATOM 0 HB2 PHE A 105 7.483 -11.978 6.427 1.00 0.00 H new ATOM 0 HB3 PHE A 105 8.043 -11.499 4.838 1.00 0.00 H new ATOM 0 HD1 PHE A 105 9.171 -13.174 7.969 1.00 0.00 H new ATOM 0 HD2 PHE A 105 9.766 -12.700 3.778 1.00 0.00 H new ATOM 0 HE1 PHE A 105 10.792 -15.020 7.992 1.00 0.00 H new ATOM 0 HE2 PHE A 105 11.386 -14.544 3.796 1.00 0.00 H new ATOM 0 HZ PHE A 105 11.901 -15.709 5.904 1.00 0.00 H new ATOM 1718 N ARG A 106 9.883 -9.192 4.574 1.00 0.00 N ATOM 1719 CA ARG A 106 10.943 -8.630 3.756 1.00 0.00 C ATOM 1720 C ARG A 106 11.717 -7.584 4.550 1.00 0.00 C ATOM 1721 O ARG A 106 12.950 -7.574 4.552 1.00 0.00 O ATOM 1722 CB ARG A 106 10.345 -8.008 2.489 1.00 0.00 C ATOM 1723 CG ARG A 106 9.814 -9.023 1.492 1.00 0.00 C ATOM 1724 CD ARG A 106 10.933 -9.813 0.835 1.00 0.00 C ATOM 1725 NE ARG A 106 10.420 -10.966 0.101 1.00 0.00 N ATOM 1726 CZ ARG A 106 10.947 -11.436 -1.029 1.00 0.00 C ATOM 1727 NH1 ARG A 106 11.999 -10.842 -1.582 1.00 0.00 N ATOM 1728 NH2 ARG A 106 10.412 -12.500 -1.610 1.00 0.00 N ATOM 0 H ARG A 106 8.942 -8.984 4.239 1.00 0.00 H new ATOM 0 HA ARG A 106 11.632 -9.423 3.466 1.00 0.00 H new ATOM 0 HB2 ARG A 106 9.535 -7.337 2.774 1.00 0.00 H new ATOM 0 HB3 ARG A 106 11.107 -7.400 2.001 1.00 0.00 H new ATOM 0 HG2 ARG A 106 9.135 -9.709 1.999 1.00 0.00 H new ATOM 0 HG3 ARG A 106 9.234 -8.509 0.725 1.00 0.00 H new ATOM 0 HD2 ARG A 106 11.485 -9.165 0.155 1.00 0.00 H new ATOM 0 HD3 ARG A 106 11.637 -10.150 1.596 1.00 0.00 H new ATOM 0 HE ARG A 106 9.602 -11.444 0.479 1.00 0.00 H new ATOM 0 HH11 ARG A 106 12.410 -10.019 -1.141 1.00 0.00 H new ATOM 0 HH12 ARG A 106 12.396 -11.209 -2.447 1.00 0.00 H new ATOM 0 HH21 ARG A 106 9.601 -12.955 -1.192 1.00 0.00 H new ATOM 0 HH22 ARG A 106 10.812 -12.864 -2.475 1.00 0.00 H new ATOM 1742 N TYR A 107 10.983 -6.711 5.232 1.00 0.00 N ATOM 1743 CA TYR A 107 11.597 -5.668 6.054 1.00 0.00 C ATOM 1744 C TYR A 107 12.292 -6.293 7.265 1.00 0.00 C ATOM 1745 O TYR A 107 13.258 -5.746 7.792 1.00 0.00 O ATOM 1746 CB TYR A 107 10.545 -4.631 6.493 1.00 0.00 C ATOM 1747 CG TYR A 107 11.115 -3.411 7.194 1.00 0.00 C ATOM 1748 CD1 TYR A 107 11.401 -2.241 6.493 1.00 0.00 C ATOM 1749 CD2 TYR A 107 11.363 -3.427 8.562 1.00 0.00 C ATOM 1750 CE1 TYR A 107 11.917 -1.131 7.135 1.00 0.00 C ATOM 1751 CE2 TYR A 107 11.878 -2.322 9.207 1.00 0.00 C ATOM 1752 CZ TYR A 107 12.152 -1.178 8.492 1.00 0.00 C ATOM 1753 OH TYR A 107 12.666 -0.074 9.136 1.00 0.00 O ATOM 0 H TYR A 107 9.963 -6.703 5.233 1.00 0.00 H new ATOM 0 HA TYR A 107 12.347 -5.149 5.458 1.00 0.00 H new ATOM 0 HB2 TYR A 107 9.989 -4.303 5.615 1.00 0.00 H new ATOM 0 HB3 TYR A 107 9.831 -5.116 7.159 1.00 0.00 H new ATOM 0 HD1 TYR A 107 11.216 -2.201 5.430 1.00 0.00 H new ATOM 0 HD2 TYR A 107 11.149 -4.320 9.130 1.00 0.00 H new ATOM 0 HE1 TYR A 107 12.135 -0.233 6.577 1.00 0.00 H new ATOM 0 HE2 TYR A 107 12.066 -2.354 10.270 1.00 0.00 H new ATOM 0 HH TYR A 107 12.771 -0.271 10.090 1.00 0.00 H new ATOM 1763 N ALA A 108 11.805 -7.454 7.690 1.00 0.00 N ATOM 1764 CA ALA A 108 12.412 -8.188 8.796 1.00 0.00 C ATOM 1765 C ALA A 108 13.804 -8.687 8.423 1.00 0.00 C ATOM 1766 O ALA A 108 14.711 -8.698 9.257 1.00 0.00 O ATOM 1767 CB ALA A 108 11.528 -9.352 9.212 1.00 0.00 C ATOM 0 H ALA A 108 10.988 -7.909 7.283 1.00 0.00 H new ATOM 0 HA ALA A 108 12.510 -7.505 9.639 1.00 0.00 H new ATOM 0 HB1 ALA A 108 11.996 -9.888 10.038 1.00 0.00 H new ATOM 0 HB2 ALA A 108 10.556 -8.975 9.529 1.00 0.00 H new ATOM 0 HB3 ALA A 108 11.397 -10.029 8.368 1.00 0.00 H new ATOM 1773 N LYS A 109 13.972 -9.092 7.167 1.00 0.00 N ATOM 1774 CA LYS A 109 15.274 -9.551 6.686 1.00 0.00 C ATOM 1775 C LYS A 109 16.165 -8.354 6.378 1.00 0.00 C ATOM 1776 O LYS A 109 17.390 -8.465 6.332 1.00 0.00 O ATOM 1777 CB LYS A 109 15.135 -10.429 5.436 1.00 0.00 C ATOM 1778 CG LYS A 109 14.419 -11.751 5.676 1.00 0.00 C ATOM 1779 CD LYS A 109 14.526 -12.679 4.471 1.00 0.00 C ATOM 1780 CE LYS A 109 13.921 -12.076 3.213 1.00 0.00 C ATOM 1781 NZ LYS A 109 14.086 -12.974 2.037 1.00 0.00 N ATOM 0 H LYS A 109 13.230 -9.112 6.468 1.00 0.00 H new ATOM 0 HA LYS A 109 15.727 -10.154 7.473 1.00 0.00 H new ATOM 0 HB2 LYS A 109 14.595 -9.870 4.672 1.00 0.00 H new ATOM 0 HB3 LYS A 109 16.129 -10.634 5.038 1.00 0.00 H new ATOM 0 HG2 LYS A 109 14.845 -12.241 6.551 1.00 0.00 H new ATOM 0 HG3 LYS A 109 13.369 -11.561 5.896 1.00 0.00 H new ATOM 0 HD2 LYS A 109 15.575 -12.913 4.289 1.00 0.00 H new ATOM 0 HD3 LYS A 109 14.024 -13.620 4.696 1.00 0.00 H new ATOM 0 HE2 LYS A 109 12.861 -11.881 3.376 1.00 0.00 H new ATOM 0 HE3 LYS A 109 14.393 -11.116 3.006 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 13.661 -12.529 1.198 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 15.098 -13.139 1.866 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 13.614 -13.881 2.224 1.00 0.00 H new ATOM 1795 N MET A 110 15.526 -7.216 6.166 1.00 0.00 N ATOM 1796 CA MET A 110 16.229 -5.966 5.906 1.00 0.00 C ATOM 1797 C MET A 110 16.957 -5.486 7.161 1.00 0.00 C ATOM 1798 O MET A 110 16.340 -5.303 8.208 1.00 0.00 O ATOM 1799 CB MET A 110 15.234 -4.902 5.409 1.00 0.00 C ATOM 1800 CG MET A 110 15.790 -3.486 5.365 1.00 0.00 C ATOM 1801 SD MET A 110 15.473 -2.578 6.888 1.00 0.00 S ATOM 1802 CE MET A 110 16.230 -1.015 6.482 1.00 0.00 C ATOM 0 H MET A 110 14.510 -7.130 6.169 1.00 0.00 H new ATOM 0 HA MET A 110 16.976 -6.135 5.131 1.00 0.00 H new ATOM 0 HB2 MET A 110 14.897 -5.177 4.410 1.00 0.00 H new ATOM 0 HB3 MET A 110 14.357 -4.914 6.056 1.00 0.00 H new ATOM 0 HG2 MET A 110 16.864 -3.526 5.185 1.00 0.00 H new ATOM 0 HG3 MET A 110 15.346 -2.950 4.526 1.00 0.00 H new ATOM 0 HE1 MET A 110 15.639 -0.203 6.906 1.00 0.00 H new ATOM 0 HE2 MET A 110 17.239 -0.982 6.893 1.00 0.00 H new ATOM 0 HE3 MET A 110 16.276 -0.903 5.399 1.00 0.00 H new ATOM 1812 N PRO A 111 18.287 -5.304 7.084 1.00 0.00 N ATOM 1813 CA PRO A 111 19.072 -4.796 8.203 1.00 0.00 C ATOM 1814 C PRO A 111 19.076 -3.270 8.263 1.00 0.00 C ATOM 1815 O PRO A 111 18.862 -2.599 7.250 1.00 0.00 O ATOM 1816 CB PRO A 111 20.470 -5.329 7.910 1.00 0.00 C ATOM 1817 CG PRO A 111 20.546 -5.423 6.422 1.00 0.00 C ATOM 1818 CD PRO A 111 19.134 -5.592 5.910 1.00 0.00 C ATOM 0 HA PRO A 111 18.673 -5.112 9.167 1.00 0.00 H new ATOM 0 HB2 PRO A 111 21.237 -4.661 8.303 1.00 0.00 H new ATOM 0 HB3 PRO A 111 20.626 -6.302 8.375 1.00 0.00 H new ATOM 0 HG2 PRO A 111 21.002 -4.526 6.003 1.00 0.00 H new ATOM 0 HG3 PRO A 111 21.167 -6.267 6.121 1.00 0.00 H new ATOM 0 HD2 PRO A 111 18.923 -4.907 5.089 1.00 0.00 H new ATOM 0 HD3 PRO A 111 18.965 -6.601 5.534 1.00 0.00 H new ATOM 1826 N ASP A 112 19.328 -2.733 9.450 1.00 0.00 N ATOM 1827 CA ASP A 112 19.312 -1.291 9.664 1.00 0.00 C ATOM 1828 C ASP A 112 20.712 -0.713 9.529 1.00 0.00 C ATOM 1829 O ASP A 112 21.086 -0.303 8.415 1.00 0.00 O ATOM 1830 CB ASP A 112 18.755 -0.949 11.050 1.00 0.00 C ATOM 1831 CG ASP A 112 17.283 -1.268 11.194 1.00 0.00 C ATOM 1832 OD1 ASP A 112 16.949 -2.418 11.550 1.00 0.00 O ATOM 1833 OD2 ASP A 112 16.449 -0.367 10.969 1.00 0.00 O ATOM 1834 OXT ASP A 112 21.437 -0.665 10.545 1.00 0.00 O ATOM 0 H ASP A 112 19.547 -3.278 10.284 1.00 0.00 H new ATOM 0 HA ASP A 112 18.666 -0.852 8.903 1.00 0.00 H new ATOM 0 HB2 ASP A 112 19.315 -1.499 11.806 1.00 0.00 H new ATOM 0 HB3 ASP A 112 18.912 0.112 11.246 1.00 0.00 H new TER 1839 ASP A 112 ATOM 1840 N HIS B 281 -20.406 10.995 6.540 1.00 0.00 N ATOM 1841 CA HIS B 281 -19.562 10.223 7.482 1.00 0.00 C ATOM 1842 C HIS B 281 -20.414 9.360 8.411 1.00 0.00 C ATOM 1843 O HIS B 281 -19.896 8.775 9.365 1.00 0.00 O ATOM 1844 CB HIS B 281 -18.680 11.155 8.322 1.00 0.00 C ATOM 1845 CG HIS B 281 -17.507 11.729 7.585 1.00 0.00 C ATOM 1846 ND1 HIS B 281 -16.278 11.110 7.529 1.00 0.00 N ATOM 1847 CD2 HIS B 281 -17.373 12.885 6.891 1.00 0.00 C ATOM 1848 CE1 HIS B 281 -15.440 11.859 6.837 1.00 0.00 C ATOM 1849 NE2 HIS B 281 -16.079 12.943 6.438 1.00 0.00 N ATOM 0 HA HIS B 281 -18.925 9.573 6.882 1.00 0.00 H new ATOM 0 HB2 HIS B 281 -19.293 11.974 8.698 1.00 0.00 H new ATOM 0 HB3 HIS B 281 -18.315 10.605 9.190 1.00 0.00 H new ATOM 0 HD2 HIS B 281 -18.143 13.624 6.725 1.00 0.00 H new ATOM 0 HE1 HIS B 281 -14.406 11.625 6.632 1.00 0.00 H new ATOM 0 HE2 HIS B 281 -15.677 13.699 5.884 1.00 0.00 H new ATOM 1860 N ASN B 282 -21.714 9.279 8.142 1.00 0.00 N ATOM 1861 CA ASN B 282 -22.604 8.464 8.964 1.00 0.00 C ATOM 1862 C ASN B 282 -22.527 7.004 8.537 1.00 0.00 C ATOM 1863 O ASN B 282 -21.943 6.175 9.234 1.00 0.00 O ATOM 1864 CB ASN B 282 -24.049 8.968 8.877 1.00 0.00 C ATOM 1865 CG ASN B 282 -25.003 8.148 9.730 1.00 0.00 C ATOM 1866 OD1 ASN B 282 -24.620 7.597 10.762 1.00 0.00 O ATOM 1867 ND2 ASN B 282 -26.251 8.062 9.305 1.00 0.00 N ATOM 0 H ASN B 282 -22.172 9.762 7.369 1.00 0.00 H new ATOM 0 HA ASN B 282 -22.278 8.546 10.001 1.00 0.00 H new ATOM 0 HB2 ASN B 282 -24.087 10.010 9.195 1.00 0.00 H new ATOM 0 HB3 ASN B 282 -24.379 8.939 7.838 1.00 0.00 H new ATOM 0 HD21 ASN B 282 -26.935 7.525 9.837 1.00 0.00 H new ATOM 0 HD22 ASN B 282 -26.530 8.533 8.444 1.00 0.00 H new ATOM 1874 N LEU B 283 -23.106 6.692 7.387 1.00 0.00 N ATOM 1875 CA LEU B 283 -23.001 5.354 6.830 1.00 0.00 C ATOM 1876 C LEU B 283 -21.996 5.369 5.691 1.00 0.00 C ATOM 1877 O LEU B 283 -22.189 6.064 4.691 1.00 0.00 O ATOM 1878 CB LEU B 283 -24.362 4.861 6.334 1.00 0.00 C ATOM 1879 CG LEU B 283 -24.379 3.431 5.786 1.00 0.00 C ATOM 1880 CD1 LEU B 283 -24.036 2.431 6.880 1.00 0.00 C ATOM 1881 CD2 LEU B 283 -25.733 3.112 5.174 1.00 0.00 C ATOM 0 H LEU B 283 -23.651 7.345 6.824 1.00 0.00 H new ATOM 0 HA LEU B 283 -22.663 4.669 7.608 1.00 0.00 H new ATOM 0 HB2 LEU B 283 -25.075 4.926 7.156 1.00 0.00 H new ATOM 0 HB3 LEU B 283 -24.712 5.536 5.553 1.00 0.00 H new ATOM 0 HG LEU B 283 -23.622 3.354 5.006 1.00 0.00 H new ATOM 0 HD11 LEU B 283 -24.054 1.422 6.469 1.00 0.00 H new ATOM 0 HD12 LEU B 283 -23.041 2.646 7.271 1.00 0.00 H new ATOM 0 HD13 LEU B 283 -24.767 2.508 7.685 1.00 0.00 H new ATOM 0 HD21 LEU B 283 -25.727 2.092 4.790 1.00 0.00 H new ATOM 0 HD22 LEU B 283 -26.508 3.209 5.934 1.00 0.00 H new ATOM 0 HD23 LEU B 283 -25.936 3.806 4.358 1.00 0.00 H new ATOM 1893 N LEU B 284 -20.918 4.624 5.851 1.00 0.00 N ATOM 1894 CA LEU B 284 -19.838 4.638 4.879 1.00 0.00 C ATOM 1895 C LEU B 284 -20.125 3.720 3.706 1.00 0.00 C ATOM 1896 O LEU B 284 -20.625 2.605 3.873 1.00 0.00 O ATOM 1897 CB LEU B 284 -18.511 4.255 5.530 1.00 0.00 C ATOM 1898 CG LEU B 284 -17.708 5.426 6.102 1.00 0.00 C ATOM 1899 CD1 LEU B 284 -17.349 6.416 5.004 1.00 0.00 C ATOM 1900 CD2 LEU B 284 -18.470 6.123 7.218 1.00 0.00 C ATOM 0 H LEU B 284 -20.766 4.001 6.644 1.00 0.00 H new ATOM 0 HA LEU B 284 -19.763 5.657 4.500 1.00 0.00 H new ATOM 0 HB2 LEU B 284 -18.709 3.544 6.332 1.00 0.00 H new ATOM 0 HB3 LEU B 284 -17.897 3.740 4.792 1.00 0.00 H new ATOM 0 HG LEU B 284 -16.787 5.024 6.524 1.00 0.00 H new ATOM 0 HD11 LEU B 284 -16.778 7.241 5.430 1.00 0.00 H new ATOM 0 HD12 LEU B 284 -16.750 5.915 4.244 1.00 0.00 H new ATOM 0 HD13 LEU B 284 -18.261 6.802 4.550 1.00 0.00 H new ATOM 0 HD21 LEU B 284 -17.874 6.950 7.604 1.00 0.00 H new ATOM 0 HD22 LEU B 284 -19.414 6.506 6.830 1.00 0.00 H new ATOM 0 HD23 LEU B 284 -18.669 5.413 8.021 1.00 0.00 H new ATOM 1912 N ARG B 285 -19.819 4.215 2.519 1.00 0.00 N ATOM 1913 CA ARG B 285 -19.925 3.433 1.299 1.00 0.00 C ATOM 1914 C ARG B 285 -18.812 2.398 1.264 1.00 0.00 C ATOM 1915 O ARG B 285 -17.644 2.741 1.436 1.00 0.00 O ATOM 1916 CB ARG B 285 -19.787 4.350 0.085 1.00 0.00 C ATOM 1917 CG ARG B 285 -20.857 5.420 -0.024 1.00 0.00 C ATOM 1918 CD ARG B 285 -20.360 6.581 -0.861 1.00 0.00 C ATOM 1919 NE ARG B 285 -21.367 7.625 -1.021 1.00 0.00 N ATOM 1920 CZ ARG B 285 -21.130 8.919 -0.836 1.00 0.00 C ATOM 1921 NH1 ARG B 285 -19.941 9.325 -0.405 1.00 0.00 N ATOM 1922 NH2 ARG B 285 -22.089 9.805 -1.058 1.00 0.00 N ATOM 0 H ARG B 285 -19.490 5.170 2.374 1.00 0.00 H new ATOM 0 HA ARG B 285 -20.895 2.937 1.275 1.00 0.00 H new ATOM 0 HB2 ARG B 285 -18.811 4.833 0.121 1.00 0.00 H new ATOM 0 HB3 ARG B 285 -19.808 3.740 -0.818 1.00 0.00 H new ATOM 0 HG2 ARG B 285 -21.757 4.999 -0.473 1.00 0.00 H new ATOM 0 HG3 ARG B 285 -21.131 5.772 0.971 1.00 0.00 H new ATOM 0 HD2 ARG B 285 -19.471 7.006 -0.395 1.00 0.00 H new ATOM 0 HD3 ARG B 285 -20.061 6.215 -1.843 1.00 0.00 H new ATOM 0 HE ARG B 285 -22.310 7.344 -1.291 1.00 0.00 H new ATOM 0 HH11 ARG B 285 -19.207 8.643 -0.215 1.00 0.00 H new ATOM 0 HH12 ARG B 285 -19.762 10.319 -0.264 1.00 0.00 H new ATOM 0 HH21 ARG B 285 -23.009 9.494 -1.371 1.00 0.00 H new ATOM 0 HH22 ARG B 285 -21.908 10.799 -0.916 1.00 0.00 H new ATOM 1936 N ILE B 286 -19.152 1.141 1.049 1.00 0.00 N ATOM 1937 CA ILE B 286 -18.132 0.115 0.955 1.00 0.00 C ATOM 1938 C ILE B 286 -17.579 0.069 -0.466 1.00 0.00 C ATOM 1939 O ILE B 286 -18.329 0.153 -1.440 1.00 0.00 O ATOM 1940 CB ILE B 286 -18.647 -1.279 1.389 1.00 0.00 C ATOM 1941 CG1 ILE B 286 -19.693 -1.822 0.411 1.00 0.00 C ATOM 1942 CG2 ILE B 286 -19.218 -1.209 2.800 1.00 0.00 C ATOM 1943 CD1 ILE B 286 -20.302 -3.139 0.838 1.00 0.00 C ATOM 0 H ILE B 286 -20.110 0.810 0.938 1.00 0.00 H new ATOM 0 HA ILE B 286 -17.334 0.379 1.649 1.00 0.00 H new ATOM 0 HB ILE B 286 -17.803 -1.968 1.381 1.00 0.00 H new ATOM 0 HG12 ILE B 286 -20.488 -1.085 0.297 1.00 0.00 H new ATOM 0 HG13 ILE B 286 -19.231 -1.946 -0.568 1.00 0.00 H new ATOM 0 HG21 ILE B 286 -19.578 -2.194 3.096 1.00 0.00 H new ATOM 0 HG22 ILE B 286 -18.441 -0.883 3.491 1.00 0.00 H new ATOM 0 HG23 ILE B 286 -20.045 -0.499 2.823 1.00 0.00 H new ATOM 0 HD11 ILE B 286 -21.033 -3.459 0.096 1.00 0.00 H new ATOM 0 HD12 ILE B 286 -19.518 -3.892 0.924 1.00 0.00 H new ATOM 0 HD13 ILE B 286 -20.794 -3.016 1.803 1.00 0.00 H new HETATM 1955 OH ALY B 287 -9.779 1.786 0.530 1.00 0.00 O HETATM 1956 CH ALY B 287 -9.202 1.031 -0.252 1.00 0.00 C HETATM 1957 CH3 ALY B 287 -7.691 0.823 -0.124 1.00 0.00 C HETATM 1958 NZ ALY B 287 -9.854 0.390 -1.210 1.00 0.00 N HETATM 1959 CE ALY B 287 -11.285 0.522 -1.430 1.00 0.00 C HETATM 1960 CD ALY B 287 -11.766 -0.317 -2.601 1.00 0.00 C HETATM 1961 CG ALY B 287 -13.240 -0.085 -2.880 1.00 0.00 C HETATM 1962 CB ALY B 287 -14.080 -0.259 -1.626 1.00 0.00 C HETATM 1963 CA ALY B 287 -15.566 -0.024 -1.850 1.00 0.00 C HETATM 1964 N ALY B 287 -16.256 -0.008 -0.565 1.00 0.00 N HETATM 1965 C ALY B 287 -16.123 -1.120 -2.749 1.00 0.00 C HETATM 1966 O ALY B 287 -16.132 -2.290 -2.370 1.00 0.00 O HETATM 0 HH33 ALY B 287 -7.180 1.778 -0.248 1.00 0.00 H new HETATM 0 HH32 ALY B 287 -7.462 0.415 0.860 1.00 0.00 H new HETATM 0 HH31 ALY B 287 -7.353 0.128 -0.893 1.00 0.00 H new HETATM 0 HZ ALY B 287 -9.325 -0.228 -1.825 1.00 0.00 H new HETATM 0 HG3 ALY B 287 -13.580 -0.782 -3.646 1.00 0.00 H new HETATM 0 HG2 ALY B 287 -13.382 0.920 -3.277 1.00 0.00 H new HETATM 0 HE3 ALY B 287 -11.528 1.569 -1.612 1.00 0.00 H new HETATM 0 HE2 ALY B 287 -11.819 0.223 -0.528 1.00 0.00 H new HETATM 0 HD3 ALY B 287 -11.596 -1.372 -2.388 1.00 0.00 H new HETATM 0 HD2 ALY B 287 -11.183 -0.073 -3.489 1.00 0.00 H new HETATM 0 HCA ALY B 287 -15.720 0.938 -2.338 1.00 0.00 H new HETATM 0 HB3 ALY B 287 -13.723 0.431 -0.861 1.00 0.00 H new HETATM 0 HB2 ALY B 287 -13.935 -1.267 -1.239 1.00 0.00 H new HETATM 0 H ALY B 287 -15.730 -0.144 0.298 1.00 0.00 H new ATOM 1981 N GLN B 288 -16.574 -0.742 -3.938 1.00 0.00 N ATOM 1982 CA GLN B 288 -17.173 -1.691 -4.868 1.00 0.00 C ATOM 1983 C GLN B 288 -16.104 -2.480 -5.624 1.00 0.00 C ATOM 1984 O GLN B 288 -16.012 -2.408 -6.852 1.00 0.00 O ATOM 1985 CB GLN B 288 -18.084 -0.965 -5.859 1.00 0.00 C ATOM 1986 CG GLN B 288 -19.210 -0.185 -5.201 1.00 0.00 C ATOM 1987 CD GLN B 288 -20.200 0.375 -6.205 1.00 0.00 C ATOM 1988 OE1 GLN B 288 -20.789 1.433 -5.995 1.00 0.00 O ATOM 1989 NE2 GLN B 288 -20.405 -0.346 -7.298 1.00 0.00 N ATOM 0 H GLN B 288 -16.536 0.218 -4.282 1.00 0.00 H new ATOM 0 HA GLN B 288 -17.767 -2.395 -4.286 1.00 0.00 H new ATOM 0 HB2 GLN B 288 -17.482 -0.281 -6.457 1.00 0.00 H new ATOM 0 HB3 GLN B 288 -18.513 -1.695 -6.545 1.00 0.00 H new ATOM 0 HG2 GLN B 288 -19.736 -0.835 -4.502 1.00 0.00 H new ATOM 0 HG3 GLN B 288 -18.787 0.634 -4.619 1.00 0.00 H new ATOM 0 HE21 GLN B 288 -19.896 -1.219 -7.436 1.00 0.00 H new ATOM 0 HE22 GLN B 288 -21.072 -0.028 -8.001 1.00 0.00 H new ATOM 1998 N PHE B 289 -15.300 -3.228 -4.889 1.00 0.00 N ATOM 1999 CA PHE B 289 -14.258 -4.044 -5.488 1.00 0.00 C ATOM 2000 C PHE B 289 -14.793 -5.421 -5.839 1.00 0.00 C ATOM 2001 O PHE B 289 -15.018 -6.263 -4.970 1.00 0.00 O ATOM 2002 CB PHE B 289 -13.045 -4.147 -4.560 1.00 0.00 C ATOM 2003 CG PHE B 289 -11.927 -3.212 -4.931 1.00 0.00 C ATOM 2004 CD1 PHE B 289 -12.174 -2.095 -5.718 1.00 0.00 C ATOM 2005 CD2 PHE B 289 -10.628 -3.452 -4.506 1.00 0.00 C ATOM 2006 CE1 PHE B 289 -11.151 -1.241 -6.074 1.00 0.00 C ATOM 2007 CE2 PHE B 289 -9.603 -2.595 -4.862 1.00 0.00 C ATOM 2008 CZ PHE B 289 -9.865 -1.491 -5.648 1.00 0.00 C ATOM 0 H PHE B 289 -15.349 -3.287 -3.872 1.00 0.00 H new ATOM 0 HA PHE B 289 -13.934 -3.561 -6.410 1.00 0.00 H new ATOM 0 HB2 PHE B 289 -13.360 -3.937 -3.538 1.00 0.00 H new ATOM 0 HB3 PHE B 289 -12.672 -5.171 -4.574 1.00 0.00 H new ATOM 0 HD1 PHE B 289 -13.180 -1.892 -6.056 1.00 0.00 H new ATOM 0 HD2 PHE B 289 -10.416 -4.315 -3.892 1.00 0.00 H new ATOM 0 HE1 PHE B 289 -11.358 -0.376 -6.687 1.00 0.00 H new ATOM 0 HE2 PHE B 289 -8.596 -2.790 -4.525 1.00 0.00 H new ATOM 0 HZ PHE B 289 -9.063 -0.824 -5.929 1.00 0.00 H new ATOM 2018 N LEU B 290 -15.023 -5.627 -7.120 1.00 0.00 N ATOM 2019 CA LEU B 290 -15.543 -6.883 -7.619 1.00 0.00 C ATOM 2020 C LEU B 290 -15.187 -7.009 -9.091 1.00 0.00 C ATOM 2021 O LEU B 290 -15.012 -5.998 -9.776 1.00 0.00 O ATOM 2022 CB LEU B 290 -17.062 -6.934 -7.434 1.00 0.00 C ATOM 2023 CG LEU B 290 -17.707 -8.299 -7.681 1.00 0.00 C ATOM 2024 CD1 LEU B 290 -17.277 -9.299 -6.618 1.00 0.00 C ATOM 2025 CD2 LEU B 290 -19.219 -8.172 -7.709 1.00 0.00 C ATOM 0 H LEU B 290 -14.855 -4.928 -7.844 1.00 0.00 H new ATOM 0 HA LEU B 290 -15.103 -7.712 -7.064 1.00 0.00 H new ATOM 0 HB2 LEU B 290 -17.298 -6.618 -6.418 1.00 0.00 H new ATOM 0 HB3 LEU B 290 -17.518 -6.208 -8.108 1.00 0.00 H new ATOM 0 HG LEU B 290 -17.371 -8.666 -8.651 1.00 0.00 H new ATOM 0 HD11 LEU B 290 -17.748 -10.263 -6.813 1.00 0.00 H new ATOM 0 HD12 LEU B 290 -16.193 -9.413 -6.643 1.00 0.00 H new ATOM 0 HD13 LEU B 290 -17.582 -8.939 -5.635 1.00 0.00 H new ATOM 0 HD21 LEU B 290 -19.663 -9.152 -7.886 1.00 0.00 H new ATOM 0 HD22 LEU B 290 -19.569 -7.782 -6.753 1.00 0.00 H new ATOM 0 HD23 LEU B 290 -19.512 -7.491 -8.508 1.00 0.00 H new ATOM 2037 N GLN B 291 -15.065 -8.234 -9.578 1.00 0.00 N ATOM 2038 CA GLN B 291 -14.714 -8.456 -10.971 1.00 0.00 C ATOM 2039 C GLN B 291 -15.969 -8.445 -11.834 1.00 0.00 C ATOM 2040 O GLN B 291 -16.416 -9.479 -12.332 1.00 0.00 O ATOM 2041 CB GLN B 291 -13.947 -9.769 -11.130 1.00 0.00 C ATOM 2042 CG GLN B 291 -12.715 -9.849 -10.241 1.00 0.00 C ATOM 2043 CD GLN B 291 -11.877 -11.084 -10.493 1.00 0.00 C ATOM 2044 OE1 GLN B 291 -12.384 -12.132 -10.897 1.00 0.00 O ATOM 2045 NE2 GLN B 291 -10.582 -10.975 -10.242 1.00 0.00 N ATOM 0 H GLN B 291 -15.203 -9.085 -9.033 1.00 0.00 H new ATOM 0 HA GLN B 291 -14.062 -7.648 -11.304 1.00 0.00 H new ATOM 0 HB2 GLN B 291 -14.611 -10.602 -10.897 1.00 0.00 H new ATOM 0 HB3 GLN B 291 -13.645 -9.883 -12.171 1.00 0.00 H new ATOM 0 HG2 GLN B 291 -12.101 -8.963 -10.401 1.00 0.00 H new ATOM 0 HG3 GLN B 291 -13.027 -9.836 -9.197 1.00 0.00 H new ATOM 0 HE21 GLN B 291 -10.200 -10.090 -9.909 1.00 0.00 H new ATOM 0 HE22 GLN B 291 -9.966 -11.776 -10.382 1.00 0.00 H new ATOM 2054 N SER B 292 -16.541 -7.261 -11.980 1.00 0.00 N ATOM 2055 CA SER B 292 -17.743 -7.074 -12.768 1.00 0.00 C ATOM 2056 C SER B 292 -17.706 -5.697 -13.424 1.00 0.00 C ATOM 2057 O SER B 292 -17.329 -5.610 -14.613 1.00 0.00 O ATOM 2058 CB SER B 292 -18.986 -7.219 -11.880 1.00 0.00 C ATOM 2059 OG SER B 292 -20.179 -7.201 -12.646 1.00 0.00 O ATOM 2060 OXT SER B 292 -18.009 -4.698 -12.739 1.00 0.00 O ATOM 0 H SER B 292 -16.184 -6.405 -11.555 1.00 0.00 H new ATOM 0 HA SER B 292 -17.792 -7.836 -13.545 1.00 0.00 H new ATOM 0 HB2 SER B 292 -18.927 -8.152 -11.320 1.00 0.00 H new ATOM 0 HB3 SER B 292 -19.009 -6.410 -11.150 1.00 0.00 H new ATOM 0 HG SER B 292 -20.951 -7.297 -12.051 1.00 0.00 H new TER 2066 SER B 292