USER MOD reduce.3.24.130724 H: found=0, std=0, add=919, rem=0, adj=41 USER MOD reduce.3.24.130724 removed 917 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 39 GLN : amide:sc= -3.18! C(o=-3.2!,f=-5.4!) USER MOD Set 1.2: A 54 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 37 LYS NZ :NH3+ 158:sc= 0.506 (180deg=0) USER MOD Set 2.2: A 41 TYR OH : rot -140:sc= -0.499 USER MOD Set 3.1: A 16 LYS NZ :NH3+ -166:sc= 0 (180deg=0) USER MOD Set 3.2: A 42 TYR OH : rot 180:sc= 0 USER MOD Set 4.1: A 9 LYS NZ :NH3+ -133:sc= 0.00516 (180deg=-0.0346) USER MOD Set 4.2: A 11 CYS SG : rot 180:sc= -0.335 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 33:sc= 1.14 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ -133:sc= -0.835 (180deg=-2.72!) USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 SER OG : rot -71:sc= 1.11 USER MOD Single : A 20 LYS NZ :NH3+ 161:sc= -0.017 (180deg=-0.212) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 33 TYR OH : rot 0:sc= -0.824 USER MOD Single : A 38 CYS SG : rot 180:sc= 0 USER MOD Single : A 43 SER OG : rot 144:sc= 0.276 USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 50 ASN :FLIP amide:sc= 0.0317 F(o=-0.52,f=0.032) USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 64 CYS SG : rot 20:sc= 0.39 USER MOD Single : A 65 LYS NZ :NH3+ -135:sc= 0.128 (180deg=0) USER MOD Single : A 76 LYS NZ :NH3+ -146:sc= -3.2 (180deg=-6.84!) USER MOD Single : A 77 THR OG1 : rot -96:sc= 1.37 USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 83 THR OG1 : rot 180:sc= -0.83 USER MOD Single : A 85 LYS NZ :NH3+ 166:sc= 1.02 (180deg=0.899) USER MOD Single : A 88 THR OG1 : rot 180:sc= 0 USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 92 MET CE :methyl -145:sc= -2.36 (180deg=-4.06!) USER MOD Single : A 94 TYR OH : rot 180:sc= 0 USER MOD Single : A 97 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 98 GLN :FLIP amide:sc= -0.892 F(o=-1.7!,f=-0.89) USER MOD Single : A 100 GLN : amide:sc= -0.805 X(o=-0.8,f=-1.3!) USER MOD Single : A 101 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 102 LYS NZ :NH3+ 147:sc= -1.07 (180deg=-1.21) USER MOD Single : A 107 HIS : no HE2:sc=0.000248 K(o=0.00025,f=-0.55) USER MOD Single : A 108 ASN :FLIP amide:sc= -0.243 F(o=-1.1,f=-0.24) USER MOD Single : A 109 SER OG : rot -24:sc= 0.177 USER MOD Single : A 114 SER OG : rot 180:sc= 0 USER MOD Single : A 117 SER OG : rot 180:sc= 0 USER MOD Single : A 118 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -8.246 -4.807 25.312 1.00 0.00 N ATOM 2 CA GLY A 1 -7.702 -5.636 24.253 1.00 0.00 C ATOM 3 C GLY A 1 -6.788 -4.863 23.322 1.00 0.00 C ATOM 4 O GLY A 1 -5.848 -4.206 23.769 1.00 0.00 O ATOM 0 H1 GLY A 1 -8.863 -5.382 25.920 1.00 0.00 H new ATOM 0 H2 GLY A 1 -7.468 -4.415 25.880 1.00 0.00 H new ATOM 0 H3 GLY A 1 -8.797 -4.029 24.896 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -7.149 -6.466 24.693 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -8.521 -6.068 23.677 1.00 0.00 H new ATOM 8 N SER A 2 -7.064 -4.942 22.024 1.00 0.00 N ATOM 9 CA SER A 2 -6.257 -4.248 21.028 1.00 0.00 C ATOM 10 C SER A 2 -7.101 -3.244 20.248 1.00 0.00 C ATOM 11 O SER A 2 -8.108 -3.603 19.638 1.00 0.00 O ATOM 12 CB SER A 2 -5.622 -5.253 20.065 1.00 0.00 C ATOM 13 OG SER A 2 -4.362 -5.691 20.543 1.00 0.00 O ATOM 0 H SER A 2 -7.840 -5.480 21.638 1.00 0.00 H new ATOM 0 HA SER A 2 -5.468 -3.706 21.550 1.00 0.00 H new ATOM 0 HB2 SER A 2 -6.284 -6.109 19.939 1.00 0.00 H new ATOM 0 HB3 SER A 2 -5.503 -4.795 19.083 1.00 0.00 H new ATOM 0 HG SER A 2 -3.978 -6.334 19.911 1.00 0.00 H new ATOM 19 N SER A 3 -6.682 -1.982 20.274 1.00 0.00 N ATOM 20 CA SER A 3 -7.401 -0.924 19.574 1.00 0.00 C ATOM 21 C SER A 3 -6.535 0.325 19.442 1.00 0.00 C ATOM 22 O SER A 3 -5.500 0.449 20.096 1.00 0.00 O ATOM 23 CB SER A 3 -8.697 -0.584 20.312 1.00 0.00 C ATOM 24 OG SER A 3 -9.739 -1.472 19.947 1.00 0.00 O ATOM 0 H SER A 3 -5.849 -1.668 20.772 1.00 0.00 H new ATOM 0 HA SER A 3 -7.645 -1.284 18.574 1.00 0.00 H new ATOM 0 HB2 SER A 3 -8.531 -0.636 21.388 1.00 0.00 H new ATOM 0 HB3 SER A 3 -8.991 0.440 20.084 1.00 0.00 H new ATOM 0 HG SER A 3 -9.363 -2.357 19.759 1.00 0.00 H new ATOM 30 N GLY A 4 -6.967 1.250 18.590 1.00 0.00 N ATOM 31 CA GLY A 4 -6.220 2.478 18.386 1.00 0.00 C ATOM 32 C GLY A 4 -6.168 2.889 16.928 1.00 0.00 C ATOM 33 O GLY A 4 -5.139 2.738 16.270 1.00 0.00 O ATOM 0 H GLY A 4 -7.821 1.171 18.037 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -6.675 3.278 18.970 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -5.205 2.348 18.760 1.00 0.00 H new ATOM 37 N SER A 5 -7.281 3.410 16.422 1.00 0.00 N ATOM 38 CA SER A 5 -7.360 3.840 15.031 1.00 0.00 C ATOM 39 C SER A 5 -8.327 5.009 14.877 1.00 0.00 C ATOM 40 O SER A 5 -9.490 4.924 15.274 1.00 0.00 O ATOM 41 CB SER A 5 -7.802 2.677 14.140 1.00 0.00 C ATOM 42 OG SER A 5 -7.508 2.938 12.778 1.00 0.00 O ATOM 0 H SER A 5 -8.141 3.545 16.954 1.00 0.00 H new ATOM 0 HA SER A 5 -6.368 4.169 14.722 1.00 0.00 H new ATOM 0 HB2 SER A 5 -7.300 1.762 14.455 1.00 0.00 H new ATOM 0 HB3 SER A 5 -8.873 2.510 14.259 1.00 0.00 H new ATOM 0 HG SER A 5 -7.798 2.180 12.230 1.00 0.00 H new ATOM 48 N SER A 6 -7.839 6.102 14.299 1.00 0.00 N ATOM 49 CA SER A 6 -8.658 7.291 14.096 1.00 0.00 C ATOM 50 C SER A 6 -8.237 8.031 12.830 1.00 0.00 C ATOM 51 O SER A 6 -7.109 7.888 12.359 1.00 0.00 O ATOM 52 CB SER A 6 -8.551 8.222 15.304 1.00 0.00 C ATOM 53 OG SER A 6 -9.042 7.596 16.476 1.00 0.00 O ATOM 0 H SER A 6 -6.880 6.189 13.963 1.00 0.00 H new ATOM 0 HA SER A 6 -9.694 6.973 13.982 1.00 0.00 H new ATOM 0 HB2 SER A 6 -7.511 8.513 15.452 1.00 0.00 H new ATOM 0 HB3 SER A 6 -9.113 9.136 15.113 1.00 0.00 H new ATOM 0 HG SER A 6 -8.961 8.212 17.234 1.00 0.00 H new ATOM 59 N GLY A 7 -9.153 8.824 12.283 1.00 0.00 N ATOM 60 CA GLY A 7 -8.859 9.576 11.077 1.00 0.00 C ATOM 61 C GLY A 7 -8.602 8.678 9.883 1.00 0.00 C ATOM 62 O GLY A 7 -8.095 7.566 10.030 1.00 0.00 O ATOM 0 H GLY A 7 -10.094 8.959 12.654 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -9.693 10.241 10.855 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -7.986 10.206 11.249 1.00 0.00 H new ATOM 66 N LYS A 8 -8.952 9.161 8.695 1.00 0.00 N ATOM 67 CA LYS A 8 -8.758 8.395 7.470 1.00 0.00 C ATOM 68 C LYS A 8 -7.331 8.551 6.952 1.00 0.00 C ATOM 69 O LYS A 8 -7.041 9.451 6.164 1.00 0.00 O ATOM 70 CB LYS A 8 -9.753 8.846 6.399 1.00 0.00 C ATOM 71 CG LYS A 8 -10.029 7.790 5.342 1.00 0.00 C ATOM 72 CD LYS A 8 -11.074 6.792 5.812 1.00 0.00 C ATOM 73 CE LYS A 8 -12.481 7.354 5.679 1.00 0.00 C ATOM 74 NZ LYS A 8 -12.890 8.118 6.890 1.00 0.00 N ATOM 0 H LYS A 8 -9.372 10.080 8.555 1.00 0.00 H new ATOM 0 HA LYS A 8 -8.931 7.343 7.697 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -10.692 9.121 6.880 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -9.369 9.743 5.913 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -10.370 8.271 4.426 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -9.105 7.265 5.101 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -10.991 5.875 5.229 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -10.884 6.527 6.852 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -12.531 8.004 4.805 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -13.184 6.538 5.510 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -13.845 7.825 7.179 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -12.220 7.928 7.663 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -12.891 9.135 6.675 1.00 0.00 H new ATOM 88 N LYS A 9 -6.445 7.668 7.399 1.00 0.00 N ATOM 89 CA LYS A 9 -5.049 7.705 6.979 1.00 0.00 C ATOM 90 C LYS A 9 -4.404 6.329 7.110 1.00 0.00 C ATOM 91 O LYS A 9 -4.597 5.635 8.109 1.00 0.00 O ATOM 92 CB LYS A 9 -4.271 8.726 7.812 1.00 0.00 C ATOM 93 CG LYS A 9 -3.994 8.267 9.233 1.00 0.00 C ATOM 94 CD LYS A 9 -3.631 9.434 10.135 1.00 0.00 C ATOM 95 CE LYS A 9 -2.233 9.954 9.838 1.00 0.00 C ATOM 96 NZ LYS A 9 -1.178 9.043 10.363 1.00 0.00 N ATOM 0 H LYS A 9 -6.669 6.917 8.052 1.00 0.00 H new ATOM 0 HA LYS A 9 -5.019 8.002 5.931 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -3.324 8.940 7.317 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -4.832 9.660 7.844 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -4.873 7.759 9.630 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -3.180 7.542 9.230 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -4.355 10.238 10.001 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -3.690 9.122 11.178 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -2.110 10.069 8.761 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -2.112 10.943 10.281 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -0.461 9.599 10.872 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -1.607 8.353 11.013 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -0.729 8.540 9.572 1.00 0.00 H new ATOM 110 N LEU A 10 -3.637 5.941 6.097 1.00 0.00 N ATOM 111 CA LEU A 10 -2.962 4.647 6.101 1.00 0.00 C ATOM 112 C LEU A 10 -1.483 4.804 5.763 1.00 0.00 C ATOM 113 O LEU A 10 -1.123 5.077 4.617 1.00 0.00 O ATOM 114 CB LEU A 10 -3.628 3.700 5.101 1.00 0.00 C ATOM 115 CG LEU A 10 -2.895 2.386 4.831 1.00 0.00 C ATOM 116 CD1 LEU A 10 -3.091 1.418 5.988 1.00 0.00 C ATOM 117 CD2 LEU A 10 -3.374 1.765 3.527 1.00 0.00 C ATOM 0 H LEU A 10 -3.467 6.503 5.263 1.00 0.00 H new ATOM 0 HA LEU A 10 -3.044 4.224 7.102 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -4.629 3.467 5.463 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -3.747 4.228 4.155 1.00 0.00 H new ATOM 0 HG LEU A 10 -1.830 2.599 4.738 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -2.562 0.488 5.778 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -2.698 1.861 6.903 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -4.154 1.211 6.113 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -2.841 0.831 3.352 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -4.444 1.566 3.590 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -3.181 2.453 2.704 1.00 0.00 H new ATOM 129 N CYS A 11 -0.631 4.629 6.766 1.00 0.00 N ATOM 130 CA CYS A 11 0.810 4.749 6.576 1.00 0.00 C ATOM 131 C CYS A 11 1.559 3.728 7.426 1.00 0.00 C ATOM 132 O CYS A 11 0.997 3.146 8.353 1.00 0.00 O ATOM 133 CB CYS A 11 1.276 6.163 6.928 1.00 0.00 C ATOM 134 SG CYS A 11 1.027 6.612 8.661 1.00 0.00 S ATOM 0 H CYS A 11 -0.913 4.403 7.720 1.00 0.00 H new ATOM 0 HA CYS A 11 1.030 4.552 5.527 1.00 0.00 H new ATOM 0 HB2 CYS A 11 2.335 6.255 6.689 1.00 0.00 H new ATOM 0 HB3 CYS A 11 0.744 6.877 6.299 1.00 0.00 H new ATOM 0 HG CYS A 11 1.454 7.824 8.861 1.00 0.00 H new ATOM 140 N GLY A 12 2.830 3.513 7.101 1.00 0.00 N ATOM 141 CA GLY A 12 3.635 2.560 7.843 1.00 0.00 C ATOM 142 C GLY A 12 4.823 2.060 7.047 1.00 0.00 C ATOM 143 O GLY A 12 4.735 1.883 5.831 1.00 0.00 O ATOM 0 H GLY A 12 3.317 3.982 6.337 1.00 0.00 H new ATOM 0 HA2 GLY A 12 3.988 3.026 8.763 1.00 0.00 H new ATOM 0 HA3 GLY A 12 3.014 1.713 8.133 1.00 0.00 H new ATOM 147 N TYR A 13 5.939 1.833 7.731 1.00 0.00 N ATOM 148 CA TYR A 13 7.152 1.355 7.079 1.00 0.00 C ATOM 149 C TYR A 13 6.989 -0.090 6.618 1.00 0.00 C ATOM 150 O TYR A 13 6.273 -0.876 7.241 1.00 0.00 O ATOM 151 CB TYR A 13 8.345 1.468 8.029 1.00 0.00 C ATOM 152 CG TYR A 13 8.776 2.893 8.294 1.00 0.00 C ATOM 153 CD1 TYR A 13 8.183 3.642 9.303 1.00 0.00 C ATOM 154 CD2 TYR A 13 9.774 3.491 7.535 1.00 0.00 C ATOM 155 CE1 TYR A 13 8.572 4.945 9.548 1.00 0.00 C ATOM 156 CE2 TYR A 13 10.171 4.792 7.774 1.00 0.00 C ATOM 157 CZ TYR A 13 9.567 5.515 8.782 1.00 0.00 C ATOM 158 OH TYR A 13 9.958 6.812 9.022 1.00 0.00 O ATOM 0 H TYR A 13 6.028 1.973 8.737 1.00 0.00 H new ATOM 0 HA TYR A 13 7.333 1.978 6.203 1.00 0.00 H new ATOM 0 HB2 TYR A 13 8.091 0.992 8.976 1.00 0.00 H new ATOM 0 HB3 TYR A 13 9.186 0.915 7.610 1.00 0.00 H new ATOM 0 HD1 TYR A 13 7.405 3.198 9.906 1.00 0.00 H new ATOM 0 HD2 TYR A 13 10.248 2.929 6.744 1.00 0.00 H new ATOM 0 HE1 TYR A 13 8.099 5.514 10.335 1.00 0.00 H new ATOM 0 HE2 TYR A 13 10.950 5.241 7.175 1.00 0.00 H new ATOM 0 HH TYR A 13 10.670 7.060 8.396 1.00 0.00 H new ATOM 168 N LEU A 14 7.659 -0.435 5.524 1.00 0.00 N ATOM 169 CA LEU A 14 7.591 -1.786 4.979 1.00 0.00 C ATOM 170 C LEU A 14 8.935 -2.204 4.391 1.00 0.00 C ATOM 171 O LEU A 14 9.882 -1.418 4.360 1.00 0.00 O ATOM 172 CB LEU A 14 6.504 -1.869 3.906 1.00 0.00 C ATOM 173 CG LEU A 14 5.064 -1.711 4.395 1.00 0.00 C ATOM 174 CD1 LEU A 14 4.098 -1.711 3.220 1.00 0.00 C ATOM 175 CD2 LEU A 14 4.710 -2.817 5.378 1.00 0.00 C ATOM 0 H LEU A 14 8.256 0.203 4.997 1.00 0.00 H new ATOM 0 HA LEU A 14 7.343 -2.468 5.792 1.00 0.00 H new ATOM 0 HB2 LEU A 14 6.699 -1.099 3.159 1.00 0.00 H new ATOM 0 HB3 LEU A 14 6.592 -2.832 3.402 1.00 0.00 H new ATOM 0 HG LEU A 14 4.979 -0.754 4.909 1.00 0.00 H new ATOM 0 HD11 LEU A 14 3.078 -1.598 3.587 1.00 0.00 H new ATOM 0 HD12 LEU A 14 4.337 -0.883 2.552 1.00 0.00 H new ATOM 0 HD13 LEU A 14 4.185 -2.652 2.677 1.00 0.00 H new ATOM 0 HD21 LEU A 14 3.682 -2.688 5.715 1.00 0.00 H new ATOM 0 HD22 LEU A 14 4.813 -3.785 4.889 1.00 0.00 H new ATOM 0 HD23 LEU A 14 5.382 -2.771 6.235 1.00 0.00 H new ATOM 187 N SER A 15 9.010 -3.447 3.925 1.00 0.00 N ATOM 188 CA SER A 15 10.238 -3.971 3.340 1.00 0.00 C ATOM 189 C SER A 15 9.982 -4.520 1.940 1.00 0.00 C ATOM 190 O SER A 15 9.216 -5.468 1.762 1.00 0.00 O ATOM 191 CB SER A 15 10.826 -5.067 4.231 1.00 0.00 C ATOM 192 OG SER A 15 11.707 -4.522 5.196 1.00 0.00 O ATOM 0 H SER A 15 8.235 -4.109 3.941 1.00 0.00 H new ATOM 0 HA SER A 15 10.953 -3.152 3.265 1.00 0.00 H new ATOM 0 HB2 SER A 15 10.020 -5.604 4.732 1.00 0.00 H new ATOM 0 HB3 SER A 15 11.359 -5.793 3.616 1.00 0.00 H new ATOM 0 HG SER A 15 12.524 -4.210 4.754 1.00 0.00 H new ATOM 198 N LYS A 16 10.628 -3.919 0.947 1.00 0.00 N ATOM 199 CA LYS A 16 10.473 -4.346 -0.438 1.00 0.00 C ATOM 200 C LYS A 16 11.534 -5.376 -0.812 1.00 0.00 C ATOM 201 O LYS A 16 12.731 -5.090 -0.778 1.00 0.00 O ATOM 202 CB LYS A 16 10.562 -3.142 -1.378 1.00 0.00 C ATOM 203 CG LYS A 16 9.877 -3.362 -2.716 1.00 0.00 C ATOM 204 CD LYS A 16 9.915 -2.109 -3.575 1.00 0.00 C ATOM 205 CE LYS A 16 9.350 -2.368 -4.963 1.00 0.00 C ATOM 206 NZ LYS A 16 9.977 -1.491 -5.990 1.00 0.00 N ATOM 0 H LYS A 16 11.265 -3.133 1.076 1.00 0.00 H new ATOM 0 HA LYS A 16 9.491 -4.808 -0.541 1.00 0.00 H new ATOM 0 HB2 LYS A 16 10.116 -2.276 -0.889 1.00 0.00 H new ATOM 0 HB3 LYS A 16 11.611 -2.904 -1.552 1.00 0.00 H new ATOM 0 HG2 LYS A 16 10.364 -4.181 -3.245 1.00 0.00 H new ATOM 0 HG3 LYS A 16 8.842 -3.660 -2.551 1.00 0.00 H new ATOM 0 HD2 LYS A 16 9.344 -1.317 -3.091 1.00 0.00 H new ATOM 0 HD3 LYS A 16 10.943 -1.755 -3.659 1.00 0.00 H new ATOM 0 HE2 LYS A 16 9.510 -3.412 -5.231 1.00 0.00 H new ATOM 0 HE3 LYS A 16 8.273 -2.203 -4.953 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 9.414 -1.522 -6.864 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 10.013 -0.514 -5.636 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 10.942 -1.824 -6.188 1.00 0.00 H new ATOM 220 N PHE A 17 11.087 -6.576 -1.169 1.00 0.00 N ATOM 221 CA PHE A 17 11.999 -7.649 -1.549 1.00 0.00 C ATOM 222 C PHE A 17 12.547 -7.424 -2.955 1.00 0.00 C ATOM 223 O PHE A 17 11.914 -6.769 -3.783 1.00 0.00 O ATOM 224 CB PHE A 17 11.287 -9.001 -1.478 1.00 0.00 C ATOM 225 CG PHE A 17 12.227 -10.171 -1.410 1.00 0.00 C ATOM 226 CD1 PHE A 17 13.118 -10.300 -0.357 1.00 0.00 C ATOM 227 CD2 PHE A 17 12.218 -11.142 -2.398 1.00 0.00 C ATOM 228 CE1 PHE A 17 13.985 -11.375 -0.293 1.00 0.00 C ATOM 229 CE2 PHE A 17 13.082 -12.219 -2.339 1.00 0.00 C ATOM 230 CZ PHE A 17 13.966 -12.336 -1.284 1.00 0.00 C ATOM 0 H PHE A 17 10.100 -6.830 -1.203 1.00 0.00 H new ATOM 0 HA PHE A 17 12.834 -7.648 -0.848 1.00 0.00 H new ATOM 0 HB2 PHE A 17 10.638 -9.015 -0.602 1.00 0.00 H new ATOM 0 HB3 PHE A 17 10.645 -9.111 -2.352 1.00 0.00 H new ATOM 0 HD1 PHE A 17 13.136 -9.553 0.422 1.00 0.00 H new ATOM 0 HD2 PHE A 17 11.528 -11.056 -3.224 1.00 0.00 H new ATOM 0 HE1 PHE A 17 14.677 -11.463 0.532 1.00 0.00 H new ATOM 0 HE2 PHE A 17 13.066 -12.968 -3.117 1.00 0.00 H new ATOM 0 HZ PHE A 17 14.641 -13.178 -1.235 1.00 0.00 H new ATOM 240 N GLY A 18 13.729 -7.972 -3.218 1.00 0.00 N ATOM 241 CA GLY A 18 14.344 -7.819 -4.524 1.00 0.00 C ATOM 242 C GLY A 18 14.987 -6.459 -4.707 1.00 0.00 C ATOM 243 O GLY A 18 15.977 -6.139 -4.050 1.00 0.00 O ATOM 0 H GLY A 18 14.272 -8.519 -2.550 1.00 0.00 H new ATOM 0 HA2 GLY A 18 15.097 -8.595 -4.660 1.00 0.00 H new ATOM 0 HA3 GLY A 18 13.590 -7.968 -5.297 1.00 0.00 H new ATOM 247 N GLY A 19 14.424 -5.655 -5.604 1.00 0.00 N ATOM 248 CA GLY A 19 14.963 -4.332 -5.856 1.00 0.00 C ATOM 249 C GLY A 19 15.731 -4.258 -7.162 1.00 0.00 C ATOM 250 O GLY A 19 16.778 -3.616 -7.240 1.00 0.00 O ATOM 0 H GLY A 19 13.604 -5.897 -6.161 1.00 0.00 H new ATOM 0 HA2 GLY A 19 14.148 -3.609 -5.876 1.00 0.00 H new ATOM 0 HA3 GLY A 19 15.621 -4.048 -5.035 1.00 0.00 H new ATOM 254 N LYS A 20 15.210 -4.918 -8.190 1.00 0.00 N ATOM 255 CA LYS A 20 15.852 -4.926 -9.499 1.00 0.00 C ATOM 256 C LYS A 20 17.365 -5.054 -9.362 1.00 0.00 C ATOM 257 O LYS A 20 18.121 -4.362 -10.044 1.00 0.00 O ATOM 258 CB LYS A 20 15.505 -3.649 -10.268 1.00 0.00 C ATOM 259 CG LYS A 20 14.022 -3.503 -10.567 1.00 0.00 C ATOM 260 CD LYS A 20 13.734 -2.231 -11.347 1.00 0.00 C ATOM 261 CE LYS A 20 13.983 -2.421 -12.835 1.00 0.00 C ATOM 262 NZ LYS A 20 12.956 -3.298 -13.462 1.00 0.00 N ATOM 0 H LYS A 20 14.344 -5.455 -8.142 1.00 0.00 H new ATOM 0 HA LYS A 20 15.481 -5.788 -10.053 1.00 0.00 H new ATOM 0 HB2 LYS A 20 15.838 -2.786 -9.691 1.00 0.00 H new ATOM 0 HB3 LYS A 20 16.059 -3.638 -11.207 1.00 0.00 H new ATOM 0 HG2 LYS A 20 13.678 -4.366 -11.137 1.00 0.00 H new ATOM 0 HG3 LYS A 20 13.461 -3.493 -9.633 1.00 0.00 H new ATOM 0 HD2 LYS A 20 12.699 -1.931 -11.186 1.00 0.00 H new ATOM 0 HD3 LYS A 20 14.362 -1.423 -10.972 1.00 0.00 H new ATOM 0 HE2 LYS A 20 13.982 -1.450 -13.330 1.00 0.00 H new ATOM 0 HE3 LYS A 20 14.972 -2.855 -12.985 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 12.957 -3.152 -14.492 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 13.175 -4.293 -13.253 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 12.018 -3.062 -13.080 1.00 0.00 H new ATOM 276 N GLY A 21 17.802 -5.944 -8.476 1.00 0.00 N ATOM 277 CA GLY A 21 19.224 -6.147 -8.267 1.00 0.00 C ATOM 278 C GLY A 21 19.659 -7.565 -8.578 1.00 0.00 C ATOM 279 O GLY A 21 18.860 -8.407 -8.989 1.00 0.00 O ATOM 0 H GLY A 21 17.197 -6.528 -7.899 1.00 0.00 H new ATOM 0 HA2 GLY A 21 19.783 -5.453 -8.895 1.00 0.00 H new ATOM 0 HA3 GLY A 21 19.473 -5.913 -7.232 1.00 0.00 H new ATOM 283 N PRO A 22 20.956 -7.847 -8.383 1.00 0.00 N ATOM 284 CA PRO A 22 21.525 -9.172 -8.640 1.00 0.00 C ATOM 285 C PRO A 22 21.047 -10.214 -7.635 1.00 0.00 C ATOM 286 O PRO A 22 20.589 -11.293 -8.015 1.00 0.00 O ATOM 287 CB PRO A 22 23.032 -8.945 -8.498 1.00 0.00 C ATOM 288 CG PRO A 22 23.154 -7.764 -7.597 1.00 0.00 C ATOM 289 CD PRO A 22 21.965 -6.892 -7.895 1.00 0.00 C ATOM 0 HA PRO A 22 21.228 -9.560 -9.614 1.00 0.00 H new ATOM 0 HB2 PRO A 22 23.526 -9.819 -8.074 1.00 0.00 H new ATOM 0 HB3 PRO A 22 23.497 -8.755 -9.465 1.00 0.00 H new ATOM 0 HG2 PRO A 22 23.161 -8.070 -6.551 1.00 0.00 H new ATOM 0 HG3 PRO A 22 24.086 -7.229 -7.779 1.00 0.00 H new ATOM 0 HD2 PRO A 22 21.621 -6.363 -7.006 1.00 0.00 H new ATOM 0 HD3 PRO A 22 22.199 -6.136 -8.645 1.00 0.00 H new ATOM 297 N ILE A 23 21.155 -9.885 -6.352 1.00 0.00 N ATOM 298 CA ILE A 23 20.731 -10.793 -5.293 1.00 0.00 C ATOM 299 C ILE A 23 19.334 -10.440 -4.793 1.00 0.00 C ATOM 300 O ILE A 23 18.737 -9.457 -5.232 1.00 0.00 O ATOM 301 CB ILE A 23 21.711 -10.768 -4.105 1.00 0.00 C ATOM 302 CG1 ILE A 23 21.416 -9.573 -3.197 1.00 0.00 C ATOM 303 CG2 ILE A 23 23.147 -10.719 -4.604 1.00 0.00 C ATOM 304 CD1 ILE A 23 21.335 -8.256 -3.938 1.00 0.00 C ATOM 0 H ILE A 23 21.532 -8.997 -6.021 1.00 0.00 H new ATOM 0 HA ILE A 23 20.718 -11.795 -5.722 1.00 0.00 H new ATOM 0 HB ILE A 23 21.579 -11.682 -3.525 1.00 0.00 H new ATOM 0 HG12 ILE A 23 20.474 -9.746 -2.677 1.00 0.00 H new ATOM 0 HG13 ILE A 23 22.193 -9.505 -2.436 1.00 0.00 H new ATOM 0 HG21 ILE A 23 23.828 -10.702 -3.753 1.00 0.00 H new ATOM 0 HG22 ILE A 23 23.351 -11.599 -5.214 1.00 0.00 H new ATOM 0 HG23 ILE A 23 23.293 -9.821 -5.204 1.00 0.00 H new ATOM 0 HD11 ILE A 23 21.123 -7.453 -3.231 1.00 0.00 H new ATOM 0 HD12 ILE A 23 22.284 -8.060 -4.436 1.00 0.00 H new ATOM 0 HD13 ILE A 23 20.539 -8.305 -4.681 1.00 0.00 H new ATOM 316 N ARG A 24 18.821 -11.247 -3.871 1.00 0.00 N ATOM 317 CA ARG A 24 17.494 -11.020 -3.309 1.00 0.00 C ATOM 318 C ARG A 24 17.579 -10.735 -1.813 1.00 0.00 C ATOM 319 O ARG A 24 18.058 -11.563 -1.039 1.00 0.00 O ATOM 320 CB ARG A 24 16.597 -12.233 -3.559 1.00 0.00 C ATOM 321 CG ARG A 24 16.295 -12.475 -5.029 1.00 0.00 C ATOM 322 CD ARG A 24 15.136 -11.615 -5.509 1.00 0.00 C ATOM 323 NE ARG A 24 14.953 -11.701 -6.955 1.00 0.00 N ATOM 324 CZ ARG A 24 14.152 -10.895 -7.643 1.00 0.00 C ATOM 325 NH1 ARG A 24 13.463 -9.949 -7.020 1.00 0.00 N ATOM 326 NH2 ARG A 24 14.038 -11.036 -8.958 1.00 0.00 N ATOM 0 H ARG A 24 19.303 -12.064 -3.497 1.00 0.00 H new ATOM 0 HA ARG A 24 17.061 -10.150 -3.803 1.00 0.00 H new ATOM 0 HB2 ARG A 24 17.076 -13.120 -3.144 1.00 0.00 H new ATOM 0 HB3 ARG A 24 15.658 -12.097 -3.022 1.00 0.00 H new ATOM 0 HG2 ARG A 24 17.182 -12.257 -5.624 1.00 0.00 H new ATOM 0 HG3 ARG A 24 16.057 -13.527 -5.184 1.00 0.00 H new ATOM 0 HD2 ARG A 24 14.220 -11.929 -5.008 1.00 0.00 H new ATOM 0 HD3 ARG A 24 15.314 -10.577 -5.227 1.00 0.00 H new ATOM 0 HE ARG A 24 15.468 -12.419 -7.465 1.00 0.00 H new ATOM 0 HH11 ARG A 24 13.547 -9.838 -6.010 1.00 0.00 H new ATOM 0 HH12 ARG A 24 12.849 -9.332 -7.551 1.00 0.00 H new ATOM 0 HH21 ARG A 24 14.566 -11.763 -9.441 1.00 0.00 H new ATOM 0 HH22 ARG A 24 13.423 -10.417 -9.486 1.00 0.00 H new ATOM 340 N GLY A 25 17.109 -9.558 -1.412 1.00 0.00 N ATOM 341 CA GLY A 25 17.141 -9.185 -0.010 1.00 0.00 C ATOM 342 C GLY A 25 16.094 -8.145 0.338 1.00 0.00 C ATOM 343 O GLY A 25 15.584 -7.450 -0.541 1.00 0.00 O ATOM 0 H GLY A 25 16.707 -8.856 -2.033 1.00 0.00 H new ATOM 0 HA2 GLY A 25 16.984 -10.073 0.603 1.00 0.00 H new ATOM 0 HA3 GLY A 25 18.129 -8.798 0.237 1.00 0.00 H new ATOM 347 N TRP A 26 15.771 -8.040 1.622 1.00 0.00 N ATOM 348 CA TRP A 26 14.776 -7.079 2.083 1.00 0.00 C ATOM 349 C TRP A 26 15.419 -5.729 2.381 1.00 0.00 C ATOM 350 O TRP A 26 16.610 -5.651 2.684 1.00 0.00 O ATOM 351 CB TRP A 26 14.067 -7.607 3.332 1.00 0.00 C ATOM 352 CG TRP A 26 13.323 -8.886 3.096 1.00 0.00 C ATOM 353 CD1 TRP A 26 13.762 -10.151 3.369 1.00 0.00 C ATOM 354 CD2 TRP A 26 12.012 -9.025 2.539 1.00 0.00 C ATOM 355 NE1 TRP A 26 12.802 -11.068 3.014 1.00 0.00 N ATOM 356 CE2 TRP A 26 11.718 -10.403 2.503 1.00 0.00 C ATOM 357 CE3 TRP A 26 11.057 -8.121 2.068 1.00 0.00 C ATOM 358 CZ2 TRP A 26 10.511 -10.893 2.014 1.00 0.00 C ATOM 359 CZ3 TRP A 26 9.859 -8.609 1.583 1.00 0.00 C ATOM 360 CH2 TRP A 26 9.593 -9.985 1.560 1.00 0.00 C ATOM 0 H TRP A 26 16.183 -8.608 2.362 1.00 0.00 H new ATOM 0 HA TRP A 26 14.043 -6.943 1.288 1.00 0.00 H new ATOM 0 HB2 TRP A 26 14.803 -7.763 4.120 1.00 0.00 H new ATOM 0 HB3 TRP A 26 13.370 -6.851 3.693 1.00 0.00 H new ATOM 0 HD1 TRP A 26 14.722 -10.394 3.800 1.00 0.00 H new ATOM 0 HE1 TRP A 26 12.883 -12.080 3.115 1.00 0.00 H new ATOM 0 HE3 TRP A 26 11.252 -7.059 2.083 1.00 0.00 H new ATOM 0 HZ2 TRP A 26 10.306 -11.953 1.993 1.00 0.00 H new ATOM 0 HZ3 TRP A 26 9.115 -7.918 1.215 1.00 0.00 H new ATOM 0 HH2 TRP A 26 8.646 -10.335 1.177 1.00 0.00 H new ATOM 371 N LYS A 27 14.625 -4.668 2.294 1.00 0.00 N ATOM 372 CA LYS A 27 15.117 -3.320 2.555 1.00 0.00 C ATOM 373 C LYS A 27 14.164 -2.562 3.474 1.00 0.00 C ATOM 374 O LYS A 27 13.079 -3.047 3.796 1.00 0.00 O ATOM 375 CB LYS A 27 15.292 -2.555 1.242 1.00 0.00 C ATOM 376 CG LYS A 27 16.369 -3.132 0.340 1.00 0.00 C ATOM 377 CD LYS A 27 16.737 -2.169 -0.776 1.00 0.00 C ATOM 378 CE LYS A 27 17.989 -2.622 -1.512 1.00 0.00 C ATOM 379 NZ LYS A 27 18.085 -2.013 -2.868 1.00 0.00 N ATOM 0 H LYS A 27 13.637 -4.715 2.045 1.00 0.00 H new ATOM 0 HA LYS A 27 16.084 -3.403 3.051 1.00 0.00 H new ATOM 0 HB2 LYS A 27 14.344 -2.551 0.705 1.00 0.00 H new ATOM 0 HB3 LYS A 27 15.536 -1.517 1.466 1.00 0.00 H new ATOM 0 HG2 LYS A 27 17.256 -3.361 0.931 1.00 0.00 H new ATOM 0 HG3 LYS A 27 16.021 -4.071 -0.089 1.00 0.00 H new ATOM 0 HD2 LYS A 27 15.908 -2.092 -1.479 1.00 0.00 H new ATOM 0 HD3 LYS A 27 16.897 -1.174 -0.361 1.00 0.00 H new ATOM 0 HE2 LYS A 27 18.870 -2.353 -0.930 1.00 0.00 H new ATOM 0 HE3 LYS A 27 17.985 -3.708 -1.601 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 18.951 -2.346 -3.338 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 17.257 -2.290 -3.432 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 18.114 -0.977 -2.782 1.00 0.00 H new ATOM 393 N SER A 28 14.576 -1.370 3.893 1.00 0.00 N ATOM 394 CA SER A 28 13.759 -0.546 4.777 1.00 0.00 C ATOM 395 C SER A 28 13.301 0.724 4.067 1.00 0.00 C ATOM 396 O SER A 28 14.108 1.602 3.760 1.00 0.00 O ATOM 397 CB SER A 28 14.544 -0.183 6.040 1.00 0.00 C ATOM 398 OG SER A 28 14.874 -1.342 6.785 1.00 0.00 O ATOM 0 H SER A 28 15.470 -0.953 3.635 1.00 0.00 H new ATOM 0 HA SER A 28 12.877 -1.122 5.058 1.00 0.00 H new ATOM 0 HB2 SER A 28 15.455 0.349 5.766 1.00 0.00 H new ATOM 0 HB3 SER A 28 13.953 0.494 6.657 1.00 0.00 H new ATOM 0 HG SER A 28 15.376 -1.084 7.586 1.00 0.00 H new ATOM 404 N ARG A 29 12.001 0.814 3.809 1.00 0.00 N ATOM 405 CA ARG A 29 11.434 1.975 3.134 1.00 0.00 C ATOM 406 C ARG A 29 10.132 2.410 3.800 1.00 0.00 C ATOM 407 O ARG A 29 9.493 1.628 4.504 1.00 0.00 O ATOM 408 CB ARG A 29 11.184 1.661 1.657 1.00 0.00 C ATOM 409 CG ARG A 29 11.338 2.866 0.744 1.00 0.00 C ATOM 410 CD ARG A 29 12.761 2.991 0.222 1.00 0.00 C ATOM 411 NE ARG A 29 13.690 3.423 1.264 1.00 0.00 N ATOM 412 CZ ARG A 29 15.011 3.350 1.146 1.00 0.00 C ATOM 413 NH1 ARG A 29 15.555 2.866 0.038 1.00 0.00 N ATOM 414 NH2 ARG A 29 15.790 3.762 2.137 1.00 0.00 N ATOM 0 H ARG A 29 11.320 0.096 4.057 1.00 0.00 H new ATOM 0 HA ARG A 29 12.151 2.793 3.209 1.00 0.00 H new ATOM 0 HB2 ARG A 29 11.877 0.883 1.337 1.00 0.00 H new ATOM 0 HB3 ARG A 29 10.178 1.257 1.545 1.00 0.00 H new ATOM 0 HG2 ARG A 29 10.648 2.779 -0.095 1.00 0.00 H new ATOM 0 HG3 ARG A 29 11.067 3.772 1.286 1.00 0.00 H new ATOM 0 HD2 ARG A 29 13.086 2.031 -0.178 1.00 0.00 H new ATOM 0 HD3 ARG A 29 12.784 3.704 -0.602 1.00 0.00 H new ATOM 0 HE ARG A 29 13.303 3.801 2.129 1.00 0.00 H new ATOM 0 HH11 ARG A 29 14.959 2.549 -0.726 1.00 0.00 H new ATOM 0 HH12 ARG A 29 16.570 2.811 -0.050 1.00 0.00 H new ATOM 0 HH21 ARG A 29 15.375 4.135 2.991 1.00 0.00 H new ATOM 0 HH22 ARG A 29 16.804 3.706 2.046 1.00 0.00 H new ATOM 428 N TRP A 30 9.747 3.660 3.574 1.00 0.00 N ATOM 429 CA TRP A 30 8.522 4.199 4.153 1.00 0.00 C ATOM 430 C TRP A 30 7.416 4.282 3.107 1.00 0.00 C ATOM 431 O TRP A 30 7.508 5.052 2.151 1.00 0.00 O ATOM 432 CB TRP A 30 8.781 5.584 4.749 1.00 0.00 C ATOM 433 CG TRP A 30 7.527 6.361 5.013 1.00 0.00 C ATOM 434 CD1 TRP A 30 7.053 7.421 4.295 1.00 0.00 C ATOM 435 CD2 TRP A 30 6.590 6.140 6.072 1.00 0.00 C ATOM 436 NE1 TRP A 30 5.877 7.873 4.843 1.00 0.00 N ATOM 437 CE2 TRP A 30 5.570 7.103 5.934 1.00 0.00 C ATOM 438 CE3 TRP A 30 6.510 5.222 7.123 1.00 0.00 C ATOM 439 CZ2 TRP A 30 4.488 7.172 6.807 1.00 0.00 C ATOM 440 CZ3 TRP A 30 5.436 5.292 7.989 1.00 0.00 C ATOM 441 CH2 TRP A 30 4.436 6.260 7.827 1.00 0.00 C ATOM 0 H TRP A 30 10.265 4.320 2.994 1.00 0.00 H new ATOM 0 HA TRP A 30 8.198 3.525 4.946 1.00 0.00 H new ATOM 0 HB2 TRP A 30 9.334 5.473 5.682 1.00 0.00 H new ATOM 0 HB3 TRP A 30 9.415 6.152 4.068 1.00 0.00 H new ATOM 0 HD1 TRP A 30 7.532 7.843 3.424 1.00 0.00 H new ATOM 0 HE1 TRP A 30 5.322 8.655 4.494 1.00 0.00 H new ATOM 0 HE3 TRP A 30 7.275 4.471 7.256 1.00 0.00 H new ATOM 0 HZ2 TRP A 30 3.717 7.918 6.684 1.00 0.00 H new ATOM 0 HZ3 TRP A 30 5.366 4.588 8.805 1.00 0.00 H new ATOM 0 HH2 TRP A 30 3.608 6.287 8.520 1.00 0.00 H new ATOM 452 N PHE A 31 6.370 3.484 3.295 1.00 0.00 N ATOM 453 CA PHE A 31 5.245 3.466 2.366 1.00 0.00 C ATOM 454 C PHE A 31 4.037 4.184 2.961 1.00 0.00 C ATOM 455 O PHE A 31 3.615 3.890 4.080 1.00 0.00 O ATOM 456 CB PHE A 31 4.873 2.025 2.010 1.00 0.00 C ATOM 457 CG PHE A 31 5.908 1.327 1.176 1.00 0.00 C ATOM 458 CD1 PHE A 31 7.050 0.804 1.761 1.00 0.00 C ATOM 459 CD2 PHE A 31 5.739 1.193 -0.192 1.00 0.00 C ATOM 460 CE1 PHE A 31 8.005 0.161 0.995 1.00 0.00 C ATOM 461 CE2 PHE A 31 6.690 0.551 -0.963 1.00 0.00 C ATOM 462 CZ PHE A 31 7.824 0.033 -0.368 1.00 0.00 C ATOM 0 H PHE A 31 6.278 2.841 4.082 1.00 0.00 H new ATOM 0 HA PHE A 31 5.546 3.990 1.459 1.00 0.00 H new ATOM 0 HB2 PHE A 31 4.718 1.461 2.930 1.00 0.00 H new ATOM 0 HB3 PHE A 31 3.925 2.025 1.472 1.00 0.00 H new ATOM 0 HD1 PHE A 31 7.196 0.900 2.827 1.00 0.00 H new ATOM 0 HD2 PHE A 31 4.854 1.595 -0.662 1.00 0.00 H new ATOM 0 HE1 PHE A 31 8.892 -0.241 1.462 1.00 0.00 H new ATOM 0 HE2 PHE A 31 6.547 0.455 -2.029 1.00 0.00 H new ATOM 0 HZ PHE A 31 8.568 -0.471 -0.968 1.00 0.00 H new ATOM 472 N PHE A 32 3.486 5.127 2.205 1.00 0.00 N ATOM 473 CA PHE A 32 2.327 5.889 2.657 1.00 0.00 C ATOM 474 C PHE A 32 1.288 6.008 1.546 1.00 0.00 C ATOM 475 O PHE A 32 1.619 6.313 0.400 1.00 0.00 O ATOM 476 CB PHE A 32 2.756 7.282 3.121 1.00 0.00 C ATOM 477 CG PHE A 32 3.092 8.214 1.991 1.00 0.00 C ATOM 478 CD1 PHE A 32 2.092 8.903 1.324 1.00 0.00 C ATOM 479 CD2 PHE A 32 4.407 8.399 1.596 1.00 0.00 C ATOM 480 CE1 PHE A 32 2.397 9.761 0.284 1.00 0.00 C ATOM 481 CE2 PHE A 32 4.718 9.256 0.557 1.00 0.00 C ATOM 482 CZ PHE A 32 3.712 9.937 -0.100 1.00 0.00 C ATOM 0 H PHE A 32 3.823 5.382 1.277 1.00 0.00 H new ATOM 0 HA PHE A 32 1.877 5.357 3.495 1.00 0.00 H new ATOM 0 HB2 PHE A 32 1.955 7.720 3.717 1.00 0.00 H new ATOM 0 HB3 PHE A 32 3.624 7.187 3.774 1.00 0.00 H new ATOM 0 HD1 PHE A 32 1.062 8.768 1.620 1.00 0.00 H new ATOM 0 HD2 PHE A 32 5.198 7.868 2.105 1.00 0.00 H new ATOM 0 HE1 PHE A 32 1.608 10.293 -0.227 1.00 0.00 H new ATOM 0 HE2 PHE A 32 5.747 9.393 0.259 1.00 0.00 H new ATOM 0 HZ PHE A 32 3.953 10.606 -0.913 1.00 0.00 H new ATOM 492 N TYR A 33 0.029 5.764 1.894 1.00 0.00 N ATOM 493 CA TYR A 33 -1.060 5.841 0.927 1.00 0.00 C ATOM 494 C TYR A 33 -1.459 7.291 0.670 1.00 0.00 C ATOM 495 O TYR A 33 -1.234 8.166 1.506 1.00 0.00 O ATOM 496 CB TYR A 33 -2.269 5.048 1.426 1.00 0.00 C ATOM 497 CG TYR A 33 -3.522 5.279 0.611 1.00 0.00 C ATOM 498 CD1 TYR A 33 -4.330 6.386 0.840 1.00 0.00 C ATOM 499 CD2 TYR A 33 -3.898 4.389 -0.388 1.00 0.00 C ATOM 500 CE1 TYR A 33 -5.475 6.600 0.098 1.00 0.00 C ATOM 501 CE2 TYR A 33 -5.041 4.596 -1.136 1.00 0.00 C ATOM 502 CZ TYR A 33 -5.826 5.703 -0.889 1.00 0.00 C ATOM 503 OH TYR A 33 -6.967 5.912 -1.630 1.00 0.00 O ATOM 0 H TYR A 33 -0.262 5.511 2.838 1.00 0.00 H new ATOM 0 HA TYR A 33 -0.711 5.408 -0.011 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -2.027 3.985 1.412 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -2.466 5.316 2.464 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -4.058 7.091 1.611 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -3.286 3.521 -0.583 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -6.092 7.465 0.290 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -5.318 3.895 -1.910 1.00 0.00 H new ATOM 0 HH TYR A 33 -7.407 6.734 -1.329 1.00 0.00 H new ATOM 513 N ASP A 34 -2.052 7.536 -0.493 1.00 0.00 N ATOM 514 CA ASP A 34 -2.485 8.879 -0.862 1.00 0.00 C ATOM 515 C ASP A 34 -3.957 8.885 -1.260 1.00 0.00 C ATOM 516 O ASP A 34 -4.346 8.262 -2.247 1.00 0.00 O ATOM 517 CB ASP A 34 -1.631 9.415 -2.013 1.00 0.00 C ATOM 518 CG ASP A 34 -1.591 10.930 -2.047 1.00 0.00 C ATOM 519 OD1 ASP A 34 -1.363 11.541 -0.982 1.00 0.00 O ATOM 520 OD2 ASP A 34 -1.789 11.505 -3.138 1.00 0.00 O ATOM 0 H ASP A 34 -2.244 6.823 -1.196 1.00 0.00 H new ATOM 0 HA ASP A 34 -2.359 9.526 0.006 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -0.616 9.030 -1.918 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -2.026 9.044 -2.958 1.00 0.00 H new ATOM 525 N GLU A 35 -4.772 9.594 -0.484 1.00 0.00 N ATOM 526 CA GLU A 35 -6.202 9.679 -0.755 1.00 0.00 C ATOM 527 C GLU A 35 -6.501 10.791 -1.755 1.00 0.00 C ATOM 528 O GLU A 35 -7.585 11.375 -1.745 1.00 0.00 O ATOM 529 CB GLU A 35 -6.976 9.923 0.543 1.00 0.00 C ATOM 530 CG GLU A 35 -6.554 11.186 1.274 1.00 0.00 C ATOM 531 CD GLU A 35 -6.790 11.100 2.770 1.00 0.00 C ATOM 532 OE1 GLU A 35 -7.848 10.574 3.174 1.00 0.00 O ATOM 533 OE2 GLU A 35 -5.917 11.559 3.536 1.00 0.00 O ATOM 0 H GLU A 35 -4.466 10.117 0.336 1.00 0.00 H new ATOM 0 HA GLU A 35 -6.521 8.730 -1.187 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -8.040 9.983 0.316 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -6.839 9.067 1.204 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -5.497 11.374 1.087 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -7.105 12.036 0.871 1.00 0.00 H new ATOM 540 N ARG A 36 -5.532 11.079 -2.618 1.00 0.00 N ATOM 541 CA ARG A 36 -5.690 12.122 -3.624 1.00 0.00 C ATOM 542 C ARG A 36 -5.744 11.522 -5.026 1.00 0.00 C ATOM 543 O ARG A 36 -6.544 11.942 -5.863 1.00 0.00 O ATOM 544 CB ARG A 36 -4.540 13.127 -3.532 1.00 0.00 C ATOM 545 CG ARG A 36 -4.249 13.591 -2.115 1.00 0.00 C ATOM 546 CD ARG A 36 -3.198 14.690 -2.093 1.00 0.00 C ATOM 547 NE ARG A 36 -3.384 15.604 -0.969 1.00 0.00 N ATOM 548 CZ ARG A 36 -2.470 16.485 -0.579 1.00 0.00 C ATOM 549 NH1 ARG A 36 -1.313 16.572 -1.220 1.00 0.00 N ATOM 550 NH2 ARG A 36 -2.713 17.282 0.454 1.00 0.00 N ATOM 0 H ARG A 36 -4.629 10.605 -2.641 1.00 0.00 H new ATOM 0 HA ARG A 36 -6.631 12.638 -3.432 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -3.640 12.676 -3.950 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -4.777 13.995 -4.148 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -5.167 13.955 -1.654 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -3.906 12.746 -1.518 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -2.206 14.242 -2.035 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -3.240 15.251 -3.027 1.00 0.00 H new ATOM 0 HE ARG A 36 -4.264 15.563 -0.455 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -1.123 15.961 -2.015 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -0.613 17.249 -0.919 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -3.602 17.218 0.949 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -2.010 17.958 0.753 1.00 0.00 H new ATOM 564 N LYS A 37 -4.887 10.538 -5.276 1.00 0.00 N ATOM 565 CA LYS A 37 -4.837 9.878 -6.575 1.00 0.00 C ATOM 566 C LYS A 37 -5.080 8.379 -6.434 1.00 0.00 C ATOM 567 O LYS A 37 -5.027 7.637 -7.416 1.00 0.00 O ATOM 568 CB LYS A 37 -3.482 10.125 -7.243 1.00 0.00 C ATOM 569 CG LYS A 37 -3.051 11.581 -7.223 1.00 0.00 C ATOM 570 CD LYS A 37 -1.570 11.728 -7.532 1.00 0.00 C ATOM 571 CE LYS A 37 -1.322 11.842 -9.028 1.00 0.00 C ATOM 572 NZ LYS A 37 0.132 11.903 -9.346 1.00 0.00 N ATOM 0 H LYS A 37 -4.217 10.180 -4.595 1.00 0.00 H new ATOM 0 HA LYS A 37 -5.626 10.299 -7.199 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -2.724 9.523 -6.741 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -3.528 9.783 -8.277 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -3.633 12.144 -7.952 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -3.264 12.011 -6.244 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -1.178 12.612 -7.029 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -1.028 10.869 -7.137 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -1.769 10.988 -9.536 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -1.815 12.735 -9.411 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 0.284 11.610 -10.332 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 0.475 12.876 -9.218 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 0.653 11.266 -8.711 1.00 0.00 H new ATOM 586 N CYS A 38 -5.348 7.940 -5.210 1.00 0.00 N ATOM 587 CA CYS A 38 -5.600 6.529 -4.941 1.00 0.00 C ATOM 588 C CYS A 38 -4.378 5.684 -5.283 1.00 0.00 C ATOM 589 O CYS A 38 -4.482 4.686 -5.996 1.00 0.00 O ATOM 590 CB CYS A 38 -6.811 6.045 -5.741 1.00 0.00 C ATOM 591 SG CYS A 38 -8.384 6.755 -5.202 1.00 0.00 S ATOM 0 H CYS A 38 -5.396 8.541 -4.387 1.00 0.00 H new ATOM 0 HA CYS A 38 -5.809 6.418 -3.877 1.00 0.00 H new ATOM 0 HB2 CYS A 38 -6.658 6.286 -6.793 1.00 0.00 H new ATOM 0 HB3 CYS A 38 -6.871 4.959 -5.668 1.00 0.00 H new ATOM 0 HG CYS A 38 -9.347 6.287 -5.940 1.00 0.00 H new ATOM 597 N GLN A 39 -3.221 6.091 -4.771 1.00 0.00 N ATOM 598 CA GLN A 39 -1.979 5.371 -5.025 1.00 0.00 C ATOM 599 C GLN A 39 -1.151 5.247 -3.750 1.00 0.00 C ATOM 600 O GLN A 39 -1.423 5.918 -2.753 1.00 0.00 O ATOM 601 CB GLN A 39 -1.165 6.082 -6.108 1.00 0.00 C ATOM 602 CG GLN A 39 -1.974 6.426 -7.348 1.00 0.00 C ATOM 603 CD GLN A 39 -1.902 5.346 -8.410 1.00 0.00 C ATOM 604 OE1 GLN A 39 -2.919 4.764 -8.789 1.00 0.00 O ATOM 605 NE2 GLN A 39 -0.698 5.073 -8.896 1.00 0.00 N ATOM 0 H GLN A 39 -3.118 6.915 -4.178 1.00 0.00 H new ATOM 0 HA GLN A 39 -2.234 4.369 -5.370 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -0.745 6.998 -5.693 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -0.326 5.448 -6.396 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -3.015 6.584 -7.066 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -1.611 7.365 -7.765 1.00 0.00 H new ATOM 0 HE21 GLN A 39 0.118 5.580 -8.553 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -0.588 4.356 -9.613 1.00 0.00 H new ATOM 614 N LEU A 40 -0.140 4.386 -3.787 1.00 0.00 N ATOM 615 CA LEU A 40 0.728 4.174 -2.634 1.00 0.00 C ATOM 616 C LEU A 40 2.103 4.791 -2.867 1.00 0.00 C ATOM 617 O LEU A 40 2.929 4.236 -3.593 1.00 0.00 O ATOM 618 CB LEU A 40 0.869 2.678 -2.346 1.00 0.00 C ATOM 619 CG LEU A 40 1.684 2.308 -1.107 1.00 0.00 C ATOM 620 CD1 LEU A 40 0.972 2.765 0.157 1.00 0.00 C ATOM 621 CD2 LEU A 40 1.939 0.808 -1.064 1.00 0.00 C ATOM 0 H LEU A 40 0.099 3.823 -4.603 1.00 0.00 H new ATOM 0 HA LEU A 40 0.273 4.662 -1.772 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -0.129 2.253 -2.240 1.00 0.00 H new ATOM 0 HB3 LEU A 40 1.327 2.203 -3.213 1.00 0.00 H new ATOM 0 HG LEU A 40 2.645 2.819 -1.163 1.00 0.00 H new ATOM 0 HD11 LEU A 40 1.567 2.493 1.029 1.00 0.00 H new ATOM 0 HD12 LEU A 40 0.841 3.847 0.130 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -0.004 2.283 0.219 1.00 0.00 H new ATOM 0 HD21 LEU A 40 2.521 0.563 -0.175 1.00 0.00 H new ATOM 0 HD22 LEU A 40 0.987 0.278 -1.032 1.00 0.00 H new ATOM 0 HD23 LEU A 40 2.492 0.507 -1.954 1.00 0.00 H new ATOM 633 N TYR A 41 2.343 5.940 -2.246 1.00 0.00 N ATOM 634 CA TYR A 41 3.618 6.633 -2.386 1.00 0.00 C ATOM 635 C TYR A 41 4.557 6.284 -1.235 1.00 0.00 C ATOM 636 O TYR A 41 4.189 6.390 -0.065 1.00 0.00 O ATOM 637 CB TYR A 41 3.397 8.146 -2.438 1.00 0.00 C ATOM 638 CG TYR A 41 2.757 8.621 -3.722 1.00 0.00 C ATOM 639 CD1 TYR A 41 1.378 8.592 -3.887 1.00 0.00 C ATOM 640 CD2 TYR A 41 3.532 9.101 -4.772 1.00 0.00 C ATOM 641 CE1 TYR A 41 0.789 9.024 -5.059 1.00 0.00 C ATOM 642 CE2 TYR A 41 2.951 9.536 -5.947 1.00 0.00 C ATOM 643 CZ TYR A 41 1.579 9.495 -6.086 1.00 0.00 C ATOM 644 OH TYR A 41 0.996 9.928 -7.255 1.00 0.00 O ATOM 0 H TYR A 41 1.671 6.411 -1.640 1.00 0.00 H new ATOM 0 HA TYR A 41 4.079 6.308 -3.319 1.00 0.00 H new ATOM 0 HB2 TYR A 41 2.769 8.442 -1.598 1.00 0.00 H new ATOM 0 HB3 TYR A 41 4.356 8.649 -2.312 1.00 0.00 H new ATOM 0 HD1 TYR A 41 0.755 8.225 -3.084 1.00 0.00 H new ATOM 0 HD2 TYR A 41 4.606 9.134 -4.667 1.00 0.00 H new ATOM 0 HE1 TYR A 41 -0.285 8.993 -5.170 1.00 0.00 H new ATOM 0 HE2 TYR A 41 3.567 9.906 -6.753 1.00 0.00 H new ATOM 0 HH TYR A 41 1.536 9.634 -8.018 1.00 0.00 H new ATOM 654 N TYR A 42 5.771 5.868 -1.577 1.00 0.00 N ATOM 655 CA TYR A 42 6.763 5.501 -0.574 1.00 0.00 C ATOM 656 C TYR A 42 8.112 6.146 -0.879 1.00 0.00 C ATOM 657 O TYR A 42 8.485 6.309 -2.041 1.00 0.00 O ATOM 658 CB TYR A 42 6.916 3.980 -0.509 1.00 0.00 C ATOM 659 CG TYR A 42 7.698 3.401 -1.667 1.00 0.00 C ATOM 660 CD1 TYR A 42 9.069 3.599 -1.773 1.00 0.00 C ATOM 661 CD2 TYR A 42 7.066 2.656 -2.654 1.00 0.00 C ATOM 662 CE1 TYR A 42 9.787 3.073 -2.829 1.00 0.00 C ATOM 663 CE2 TYR A 42 7.776 2.124 -3.713 1.00 0.00 C ATOM 664 CZ TYR A 42 9.136 2.335 -3.796 1.00 0.00 C ATOM 665 OH TYR A 42 9.848 1.808 -4.850 1.00 0.00 O ATOM 0 H TYR A 42 6.092 5.777 -2.541 1.00 0.00 H new ATOM 0 HA TYR A 42 6.416 5.866 0.393 1.00 0.00 H new ATOM 0 HB2 TYR A 42 7.412 3.713 0.424 1.00 0.00 H new ATOM 0 HB3 TYR A 42 5.926 3.524 -0.486 1.00 0.00 H new ATOM 0 HD1 TYR A 42 9.582 4.174 -1.017 1.00 0.00 H new ATOM 0 HD2 TYR A 42 6.001 2.490 -2.593 1.00 0.00 H new ATOM 0 HE1 TYR A 42 10.852 3.238 -2.897 1.00 0.00 H new ATOM 0 HE2 TYR A 42 7.269 1.546 -4.471 1.00 0.00 H new ATOM 0 HH TYR A 42 9.241 1.315 -5.441 1.00 0.00 H new ATOM 675 N SER A 43 8.838 6.511 0.172 1.00 0.00 N ATOM 676 CA SER A 43 10.144 7.142 0.018 1.00 0.00 C ATOM 677 C SER A 43 11.113 6.652 1.089 1.00 0.00 C ATOM 678 O SER A 43 10.730 5.917 2.000 1.00 0.00 O ATOM 679 CB SER A 43 10.010 8.664 0.092 1.00 0.00 C ATOM 680 OG SER A 43 10.979 9.301 -0.722 1.00 0.00 O ATOM 0 H SER A 43 8.544 6.381 1.140 1.00 0.00 H new ATOM 0 HA SER A 43 10.541 6.867 -0.959 1.00 0.00 H new ATOM 0 HB2 SER A 43 9.011 8.960 -0.227 1.00 0.00 H new ATOM 0 HB3 SER A 43 10.125 8.993 1.125 1.00 0.00 H new ATOM 0 HG SER A 43 10.590 10.105 -1.126 1.00 0.00 H new ATOM 686 N ARG A 44 12.371 7.064 0.972 1.00 0.00 N ATOM 687 CA ARG A 44 13.397 6.667 1.929 1.00 0.00 C ATOM 688 C ARG A 44 12.899 6.835 3.362 1.00 0.00 C ATOM 689 O ARG A 44 13.158 5.995 4.224 1.00 0.00 O ATOM 690 CB ARG A 44 14.668 7.493 1.719 1.00 0.00 C ATOM 691 CG ARG A 44 15.606 6.913 0.673 1.00 0.00 C ATOM 692 CD ARG A 44 16.943 7.637 0.661 1.00 0.00 C ATOM 693 NE ARG A 44 17.950 6.912 -0.109 1.00 0.00 N ATOM 694 CZ ARG A 44 19.008 7.492 -0.664 1.00 0.00 C ATOM 695 NH1 ARG A 44 19.196 8.799 -0.536 1.00 0.00 N ATOM 696 NH2 ARG A 44 19.882 6.766 -1.350 1.00 0.00 N ATOM 0 H ARG A 44 12.704 7.672 0.224 1.00 0.00 H new ATOM 0 HA ARG A 44 13.625 5.614 1.763 1.00 0.00 H new ATOM 0 HB2 ARG A 44 14.389 8.504 1.424 1.00 0.00 H new ATOM 0 HB3 ARG A 44 15.200 7.573 2.667 1.00 0.00 H new ATOM 0 HG2 ARG A 44 15.766 5.854 0.874 1.00 0.00 H new ATOM 0 HG3 ARG A 44 15.144 6.984 -0.311 1.00 0.00 H new ATOM 0 HD2 ARG A 44 16.812 8.634 0.239 1.00 0.00 H new ATOM 0 HD3 ARG A 44 17.294 7.768 1.685 1.00 0.00 H new ATOM 0 HE ARG A 44 17.835 5.905 -0.227 1.00 0.00 H new ATOM 0 HH11 ARG A 44 18.527 9.361 -0.010 1.00 0.00 H new ATOM 0 HH12 ARG A 44 20.010 9.241 -0.963 1.00 0.00 H new ATOM 0 HH21 ARG A 44 19.742 5.761 -1.452 1.00 0.00 H new ATOM 0 HH22 ARG A 44 20.694 7.213 -1.776 1.00 0.00 H new ATOM 710 N THR A 45 12.184 7.928 3.610 1.00 0.00 N ATOM 711 CA THR A 45 11.651 8.208 4.937 1.00 0.00 C ATOM 712 C THR A 45 10.391 9.062 4.855 1.00 0.00 C ATOM 713 O THR A 45 9.971 9.462 3.770 1.00 0.00 O ATOM 714 CB THR A 45 12.689 8.928 5.818 1.00 0.00 C ATOM 715 OG1 THR A 45 12.889 10.265 5.346 1.00 0.00 O ATOM 716 CG2 THR A 45 14.013 8.180 5.816 1.00 0.00 C ATOM 0 H THR A 45 11.961 8.634 2.908 1.00 0.00 H new ATOM 0 HA THR A 45 11.406 7.247 5.388 1.00 0.00 H new ATOM 0 HB THR A 45 12.309 8.957 6.839 1.00 0.00 H new ATOM 0 HG1 THR A 45 13.549 10.717 5.912 1.00 0.00 H new ATOM 0 HG21 THR A 45 14.730 8.708 6.445 1.00 0.00 H new ATOM 0 HG22 THR A 45 13.862 7.173 6.204 1.00 0.00 H new ATOM 0 HG23 THR A 45 14.397 8.123 4.798 1.00 0.00 H new ATOM 724 N ALA A 46 9.792 9.337 6.009 1.00 0.00 N ATOM 725 CA ALA A 46 8.580 10.145 6.067 1.00 0.00 C ATOM 726 C ALA A 46 8.892 11.619 5.831 1.00 0.00 C ATOM 727 O ALA A 46 8.035 12.380 5.384 1.00 0.00 O ATOM 728 CB ALA A 46 7.886 9.960 7.408 1.00 0.00 C ATOM 0 H ALA A 46 10.126 9.012 6.916 1.00 0.00 H new ATOM 0 HA ALA A 46 7.911 9.810 5.274 1.00 0.00 H new ATOM 0 HB1 ALA A 46 6.983 10.569 7.437 1.00 0.00 H new ATOM 0 HB2 ALA A 46 7.621 8.911 7.539 1.00 0.00 H new ATOM 0 HB3 ALA A 46 8.557 10.267 8.210 1.00 0.00 H new ATOM 734 N GLN A 47 10.125 12.014 6.134 1.00 0.00 N ATOM 735 CA GLN A 47 10.548 13.398 5.955 1.00 0.00 C ATOM 736 C GLN A 47 10.698 13.735 4.475 1.00 0.00 C ATOM 737 O GLN A 47 10.478 14.874 4.063 1.00 0.00 O ATOM 738 CB GLN A 47 11.870 13.647 6.684 1.00 0.00 C ATOM 739 CG GLN A 47 11.703 13.942 8.165 1.00 0.00 C ATOM 740 CD GLN A 47 12.928 13.570 8.977 1.00 0.00 C ATOM 741 OE1 GLN A 47 13.786 14.411 9.248 1.00 0.00 O ATOM 742 NE2 GLN A 47 13.017 12.305 9.369 1.00 0.00 N ATOM 0 H GLN A 47 10.847 11.396 6.504 1.00 0.00 H new ATOM 0 HA GLN A 47 9.780 14.044 6.379 1.00 0.00 H new ATOM 0 HB2 GLN A 47 12.510 12.773 6.566 1.00 0.00 H new ATOM 0 HB3 GLN A 47 12.384 14.484 6.211 1.00 0.00 H new ATOM 0 HG2 GLN A 47 11.492 15.003 8.298 1.00 0.00 H new ATOM 0 HG3 GLN A 47 10.840 13.395 8.545 1.00 0.00 H new ATOM 0 HE21 GLN A 47 12.283 11.642 9.122 1.00 0.00 H new ATOM 0 HE22 GLN A 47 13.820 11.996 9.917 1.00 0.00 H new ATOM 751 N ASP A 48 11.074 12.738 3.682 1.00 0.00 N ATOM 752 CA ASP A 48 11.252 12.928 2.247 1.00 0.00 C ATOM 753 C ASP A 48 9.919 13.224 1.568 1.00 0.00 C ATOM 754 O ASP A 48 9.349 12.365 0.897 1.00 0.00 O ATOM 755 CB ASP A 48 11.892 11.687 1.623 1.00 0.00 C ATOM 756 CG ASP A 48 13.404 11.696 1.738 1.00 0.00 C ATOM 757 OD1 ASP A 48 14.020 12.722 1.381 1.00 0.00 O ATOM 758 OD2 ASP A 48 13.971 10.676 2.183 1.00 0.00 O ATOM 0 H ASP A 48 11.261 11.790 4.008 1.00 0.00 H new ATOM 0 HA ASP A 48 11.912 13.782 2.098 1.00 0.00 H new ATOM 0 HB2 ASP A 48 11.499 10.795 2.110 1.00 0.00 H new ATOM 0 HB3 ASP A 48 11.611 11.626 0.572 1.00 0.00 H new ATOM 763 N ALA A 49 9.427 14.445 1.749 1.00 0.00 N ATOM 764 CA ALA A 49 8.161 14.855 1.153 1.00 0.00 C ATOM 765 C ALA A 49 8.025 14.321 -0.268 1.00 0.00 C ATOM 766 O ALA A 49 6.929 13.981 -0.711 1.00 0.00 O ATOM 767 CB ALA A 49 8.039 16.372 1.163 1.00 0.00 C ATOM 0 H ALA A 49 9.886 15.168 2.304 1.00 0.00 H new ATOM 0 HA ALA A 49 7.353 14.433 1.751 1.00 0.00 H new ATOM 0 HB1 ALA A 49 7.089 16.664 0.715 1.00 0.00 H new ATOM 0 HB2 ALA A 49 8.082 16.734 2.190 1.00 0.00 H new ATOM 0 HB3 ALA A 49 8.859 16.807 0.591 1.00 0.00 H new ATOM 773 N ASN A 50 9.146 14.251 -0.979 1.00 0.00 N ATOM 774 CA ASN A 50 9.151 13.759 -2.352 1.00 0.00 C ATOM 775 C ASN A 50 9.229 12.235 -2.384 1.00 0.00 C ATOM 776 O ASN A 50 10.246 11.633 -2.040 1.00 0.00 O ATOM 777 CB ASN A 50 10.328 14.357 -3.125 1.00 0.00 C ATOM 778 CG ASN A 50 10.566 15.814 -2.780 1.00 0.00 C ATOM 779 OD1 ASN A 50 11.362 16.054 -1.744 1.00 0.00 O flip ATOM 780 ND2 ASN A 50 10.042 16.713 -3.437 1.00 0.00 N flip ATOM 0 H ASN A 50 10.062 14.529 -0.627 1.00 0.00 H new ATOM 0 HA ASN A 50 8.219 14.067 -2.826 1.00 0.00 H new ATOM 0 HB2 ASN A 50 11.230 13.784 -2.909 1.00 0.00 H new ATOM 0 HB3 ASN A 50 10.140 14.266 -4.195 1.00 0.00 H new ATOM 0 HD21 ASN A 50 9.437 16.482 -4.225 1.00 0.00 H new ATOM 0 HD22 ASN A 50 10.213 17.689 -3.193 1.00 0.00 H new ATOM 787 N PRO A 51 8.128 11.596 -2.806 1.00 0.00 N ATOM 788 CA PRO A 51 8.046 10.135 -2.895 1.00 0.00 C ATOM 789 C PRO A 51 8.921 9.572 -4.009 1.00 0.00 C ATOM 790 O PRO A 51 9.015 10.151 -5.092 1.00 0.00 O ATOM 791 CB PRO A 51 6.567 9.880 -3.195 1.00 0.00 C ATOM 792 CG PRO A 51 6.094 11.129 -3.855 1.00 0.00 C ATOM 793 CD PRO A 51 6.879 12.250 -3.232 1.00 0.00 C ATOM 0 HA PRO A 51 8.400 9.651 -1.985 1.00 0.00 H new ATOM 0 HB2 PRO A 51 6.438 9.015 -3.846 1.00 0.00 H new ATOM 0 HB3 PRO A 51 6.007 9.678 -2.282 1.00 0.00 H new ATOM 0 HG2 PRO A 51 6.260 11.088 -4.932 1.00 0.00 H new ATOM 0 HG3 PRO A 51 5.024 11.270 -3.702 1.00 0.00 H new ATOM 0 HD2 PRO A 51 7.068 13.053 -3.945 1.00 0.00 H new ATOM 0 HD3 PRO A 51 6.349 12.692 -2.388 1.00 0.00 H new ATOM 801 N LEU A 52 9.560 8.439 -3.739 1.00 0.00 N ATOM 802 CA LEU A 52 10.427 7.796 -4.720 1.00 0.00 C ATOM 803 C LEU A 52 9.606 7.132 -5.820 1.00 0.00 C ATOM 804 O LEU A 52 9.786 7.421 -7.003 1.00 0.00 O ATOM 805 CB LEU A 52 11.321 6.759 -4.038 1.00 0.00 C ATOM 806 CG LEU A 52 12.328 7.303 -3.024 1.00 0.00 C ATOM 807 CD1 LEU A 52 12.853 6.183 -2.139 1.00 0.00 C ATOM 808 CD2 LEU A 52 13.474 8.006 -3.736 1.00 0.00 C ATOM 0 H LEU A 52 9.494 7.946 -2.848 1.00 0.00 H new ATOM 0 HA LEU A 52 11.053 8.564 -5.173 1.00 0.00 H new ATOM 0 HB2 LEU A 52 10.682 6.034 -3.533 1.00 0.00 H new ATOM 0 HB3 LEU A 52 11.869 6.218 -4.809 1.00 0.00 H new ATOM 0 HG LEU A 52 11.820 8.030 -2.390 1.00 0.00 H new ATOM 0 HD11 LEU A 52 13.568 6.589 -1.424 1.00 0.00 H new ATOM 0 HD12 LEU A 52 12.023 5.725 -1.601 1.00 0.00 H new ATOM 0 HD13 LEU A 52 13.345 5.431 -2.757 1.00 0.00 H new ATOM 0 HD21 LEU A 52 14.181 8.387 -2.999 1.00 0.00 H new ATOM 0 HD22 LEU A 52 13.981 7.300 -4.394 1.00 0.00 H new ATOM 0 HD23 LEU A 52 13.082 8.835 -4.325 1.00 0.00 H new ATOM 820 N ASP A 53 8.703 6.242 -5.422 1.00 0.00 N ATOM 821 CA ASP A 53 7.852 5.539 -6.374 1.00 0.00 C ATOM 822 C ASP A 53 6.408 5.495 -5.883 1.00 0.00 C ATOM 823 O ASP A 53 6.119 5.858 -4.743 1.00 0.00 O ATOM 824 CB ASP A 53 8.369 4.118 -6.601 1.00 0.00 C ATOM 825 CG ASP A 53 7.641 3.409 -7.726 1.00 0.00 C ATOM 826 OD1 ASP A 53 7.651 3.930 -8.861 1.00 0.00 O ATOM 827 OD2 ASP A 53 7.060 2.333 -7.471 1.00 0.00 O ATOM 0 H ASP A 53 8.542 5.991 -4.447 1.00 0.00 H new ATOM 0 HA ASP A 53 7.880 6.083 -7.318 1.00 0.00 H new ATOM 0 HB2 ASP A 53 9.435 4.154 -6.828 1.00 0.00 H new ATOM 0 HB3 ASP A 53 8.258 3.543 -5.682 1.00 0.00 H new ATOM 832 N SER A 54 5.506 5.050 -6.752 1.00 0.00 N ATOM 833 CA SER A 54 4.091 4.964 -6.408 1.00 0.00 C ATOM 834 C SER A 54 3.489 3.655 -6.911 1.00 0.00 C ATOM 835 O SER A 54 3.990 3.053 -7.861 1.00 0.00 O ATOM 836 CB SER A 54 3.328 6.150 -6.999 1.00 0.00 C ATOM 837 OG SER A 54 2.850 5.852 -8.300 1.00 0.00 O ATOM 0 H SER A 54 5.729 4.744 -7.699 1.00 0.00 H new ATOM 0 HA SER A 54 4.004 4.990 -5.322 1.00 0.00 H new ATOM 0 HB2 SER A 54 2.490 6.407 -6.351 1.00 0.00 H new ATOM 0 HB3 SER A 54 3.980 7.023 -7.039 1.00 0.00 H new ATOM 0 HG SER A 54 2.364 6.626 -8.655 1.00 0.00 H new ATOM 843 N ILE A 55 2.411 3.221 -6.266 1.00 0.00 N ATOM 844 CA ILE A 55 1.739 1.985 -6.648 1.00 0.00 C ATOM 845 C ILE A 55 0.259 2.227 -6.923 1.00 0.00 C ATOM 846 O ILE A 55 -0.456 2.784 -6.089 1.00 0.00 O ATOM 847 CB ILE A 55 1.878 0.909 -5.555 1.00 0.00 C ATOM 848 CG1 ILE A 55 3.108 1.185 -4.689 1.00 0.00 C ATOM 849 CG2 ILE A 55 1.964 -0.474 -6.183 1.00 0.00 C ATOM 850 CD1 ILE A 55 4.412 1.115 -5.453 1.00 0.00 C ATOM 0 H ILE A 55 1.985 3.707 -5.477 1.00 0.00 H new ATOM 0 HA ILE A 55 2.222 1.631 -7.559 1.00 0.00 H new ATOM 0 HB ILE A 55 0.995 0.943 -4.917 1.00 0.00 H new ATOM 0 HG12 ILE A 55 3.012 2.173 -4.240 1.00 0.00 H new ATOM 0 HG13 ILE A 55 3.136 0.465 -3.871 1.00 0.00 H new ATOM 0 HG21 ILE A 55 2.062 -1.224 -5.399 1.00 0.00 H new ATOM 0 HG22 ILE A 55 1.060 -0.668 -6.760 1.00 0.00 H new ATOM 0 HG23 ILE A 55 2.832 -0.522 -6.841 1.00 0.00 H new ATOM 0 HD11 ILE A 55 5.242 1.321 -4.777 1.00 0.00 H new ATOM 0 HD12 ILE A 55 4.531 0.119 -5.880 1.00 0.00 H new ATOM 0 HD13 ILE A 55 4.405 1.854 -6.254 1.00 0.00 H new ATOM 862 N ASP A 56 -0.196 1.802 -8.097 1.00 0.00 N ATOM 863 CA ASP A 56 -1.592 1.969 -8.482 1.00 0.00 C ATOM 864 C ASP A 56 -2.461 0.879 -7.862 1.00 0.00 C ATOM 865 O ASP A 56 -2.518 -0.244 -8.364 1.00 0.00 O ATOM 866 CB ASP A 56 -1.730 1.944 -10.005 1.00 0.00 C ATOM 867 CG ASP A 56 -3.174 2.036 -10.457 1.00 0.00 C ATOM 868 OD1 ASP A 56 -4.072 1.729 -9.644 1.00 0.00 O ATOM 869 OD2 ASP A 56 -3.407 2.416 -11.623 1.00 0.00 O ATOM 0 H ASP A 56 0.382 1.339 -8.798 1.00 0.00 H new ATOM 0 HA ASP A 56 -1.932 2.935 -8.110 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -1.165 2.773 -10.432 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -1.289 1.025 -10.392 1.00 0.00 H new ATOM 874 N LEU A 57 -3.135 1.218 -6.768 1.00 0.00 N ATOM 875 CA LEU A 57 -4.000 0.268 -6.078 1.00 0.00 C ATOM 876 C LEU A 57 -5.345 0.143 -6.786 1.00 0.00 C ATOM 877 O LEU A 57 -6.060 -0.844 -6.613 1.00 0.00 O ATOM 878 CB LEU A 57 -4.213 0.702 -4.627 1.00 0.00 C ATOM 879 CG LEU A 57 -2.958 1.120 -3.860 1.00 0.00 C ATOM 880 CD1 LEU A 57 -3.332 1.854 -2.582 1.00 0.00 C ATOM 881 CD2 LEU A 57 -2.096 -0.095 -3.547 1.00 0.00 C ATOM 0 H LEU A 57 -3.099 2.143 -6.340 1.00 0.00 H new ATOM 0 HA LEU A 57 -3.511 -0.706 -6.091 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -4.915 1.536 -4.618 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -4.687 -0.119 -4.089 1.00 0.00 H new ATOM 0 HG LEU A 57 -2.381 1.799 -4.488 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -2.426 2.143 -2.050 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -3.908 2.746 -2.830 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -3.931 1.200 -1.949 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -1.207 0.221 -3.001 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -2.665 -0.798 -2.939 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -1.798 -0.579 -4.477 1.00 0.00 H new ATOM 893 N SER A 58 -5.683 1.149 -7.586 1.00 0.00 N ATOM 894 CA SER A 58 -6.943 1.153 -8.320 1.00 0.00 C ATOM 895 C SER A 58 -7.135 -0.158 -9.077 1.00 0.00 C ATOM 896 O SER A 58 -8.250 -0.669 -9.182 1.00 0.00 O ATOM 897 CB SER A 58 -6.985 2.330 -9.297 1.00 0.00 C ATOM 898 OG SER A 58 -8.321 2.700 -9.591 1.00 0.00 O ATOM 0 H SER A 58 -5.102 1.972 -7.742 1.00 0.00 H new ATOM 0 HA SER A 58 -7.754 1.259 -7.600 1.00 0.00 H new ATOM 0 HB2 SER A 58 -6.454 3.181 -8.870 1.00 0.00 H new ATOM 0 HB3 SER A 58 -6.468 2.061 -10.218 1.00 0.00 H new ATOM 0 HG SER A 58 -8.321 3.455 -10.216 1.00 0.00 H new ATOM 904 N SER A 59 -6.040 -0.696 -9.602 1.00 0.00 N ATOM 905 CA SER A 59 -6.086 -1.945 -10.353 1.00 0.00 C ATOM 906 C SER A 59 -5.071 -2.945 -9.807 1.00 0.00 C ATOM 907 O SER A 59 -4.412 -3.655 -10.567 1.00 0.00 O ATOM 908 CB SER A 59 -5.816 -1.684 -11.836 1.00 0.00 C ATOM 909 OG SER A 59 -7.019 -1.418 -12.535 1.00 0.00 O ATOM 0 H SER A 59 -5.109 -0.287 -9.521 1.00 0.00 H new ATOM 0 HA SER A 59 -7.084 -2.370 -10.243 1.00 0.00 H new ATOM 0 HB2 SER A 59 -5.136 -0.839 -11.942 1.00 0.00 H new ATOM 0 HB3 SER A 59 -5.320 -2.549 -12.276 1.00 0.00 H new ATOM 0 HG SER A 59 -6.819 -1.253 -13.480 1.00 0.00 H new ATOM 915 N ALA A 60 -4.951 -2.995 -8.485 1.00 0.00 N ATOM 916 CA ALA A 60 -4.019 -3.909 -7.836 1.00 0.00 C ATOM 917 C ALA A 60 -4.752 -4.880 -6.917 1.00 0.00 C ATOM 918 O ALA A 60 -5.917 -4.672 -6.579 1.00 0.00 O ATOM 919 CB ALA A 60 -2.972 -3.128 -7.056 1.00 0.00 C ATOM 0 H ALA A 60 -5.488 -2.413 -7.842 1.00 0.00 H new ATOM 0 HA ALA A 60 -3.520 -4.491 -8.611 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -2.282 -3.823 -6.576 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -2.420 -2.480 -7.737 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -3.463 -2.521 -6.295 1.00 0.00 H new ATOM 925 N VAL A 61 -4.061 -5.942 -6.514 1.00 0.00 N ATOM 926 CA VAL A 61 -4.646 -6.946 -5.633 1.00 0.00 C ATOM 927 C VAL A 61 -3.666 -7.357 -4.541 1.00 0.00 C ATOM 928 O VAL A 61 -2.550 -7.792 -4.825 1.00 0.00 O ATOM 929 CB VAL A 61 -5.078 -8.199 -6.418 1.00 0.00 C ATOM 930 CG1 VAL A 61 -4.121 -8.463 -7.570 1.00 0.00 C ATOM 931 CG2 VAL A 61 -5.159 -9.404 -5.494 1.00 0.00 C ATOM 0 H VAL A 61 -3.095 -6.129 -6.784 1.00 0.00 H new ATOM 0 HA VAL A 61 -5.525 -6.492 -5.176 1.00 0.00 H new ATOM 0 HB VAL A 61 -6.070 -8.022 -6.834 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -4.442 -9.352 -8.113 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -4.118 -7.607 -8.244 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -3.116 -8.620 -7.179 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -5.466 -10.280 -6.065 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -4.182 -9.586 -5.047 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -5.888 -9.211 -4.707 1.00 0.00 H new ATOM 941 N PHE A 62 -4.090 -7.216 -3.289 1.00 0.00 N ATOM 942 CA PHE A 62 -3.249 -7.572 -2.152 1.00 0.00 C ATOM 943 C PHE A 62 -3.378 -9.057 -1.825 1.00 0.00 C ATOM 944 O PHE A 62 -4.484 -9.583 -1.705 1.00 0.00 O ATOM 945 CB PHE A 62 -3.626 -6.734 -0.929 1.00 0.00 C ATOM 946 CG PHE A 62 -4.167 -5.376 -1.277 1.00 0.00 C ATOM 947 CD1 PHE A 62 -3.408 -4.481 -2.012 1.00 0.00 C ATOM 948 CD2 PHE A 62 -5.435 -4.996 -0.867 1.00 0.00 C ATOM 949 CE1 PHE A 62 -3.902 -3.231 -2.334 1.00 0.00 C ATOM 950 CE2 PHE A 62 -5.935 -3.747 -1.186 1.00 0.00 C ATOM 951 CZ PHE A 62 -5.167 -2.863 -1.919 1.00 0.00 C ATOM 0 H PHE A 62 -5.011 -6.858 -3.036 1.00 0.00 H new ATOM 0 HA PHE A 62 -2.213 -7.365 -2.419 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -4.370 -7.274 -0.344 1.00 0.00 H new ATOM 0 HB3 PHE A 62 -2.747 -6.615 -0.295 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -2.418 -4.763 -2.338 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -6.039 -5.683 -0.292 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -3.300 -2.543 -2.909 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -6.925 -3.463 -0.862 1.00 0.00 H new ATOM 0 HZ PHE A 62 -5.555 -1.886 -2.167 1.00 0.00 H new ATOM 961 N ASP A 63 -2.239 -9.726 -1.682 1.00 0.00 N ATOM 962 CA ASP A 63 -2.223 -11.150 -1.368 1.00 0.00 C ATOM 963 C ASP A 63 -1.237 -11.447 -0.243 1.00 0.00 C ATOM 964 O ASP A 63 -0.422 -10.599 0.122 1.00 0.00 O ATOM 965 CB ASP A 63 -1.859 -11.964 -2.611 1.00 0.00 C ATOM 966 CG ASP A 63 -2.300 -13.411 -2.505 1.00 0.00 C ATOM 967 OD1 ASP A 63 -3.511 -13.649 -2.311 1.00 0.00 O ATOM 968 OD2 ASP A 63 -1.435 -14.305 -2.615 1.00 0.00 O ATOM 0 H ASP A 63 -1.315 -9.305 -1.779 1.00 0.00 H new ATOM 0 HA ASP A 63 -3.221 -11.435 -1.036 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -2.321 -11.510 -3.487 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -0.780 -11.926 -2.764 1.00 0.00 H new ATOM 973 N CYS A 64 -1.316 -12.656 0.303 1.00 0.00 N ATOM 974 CA CYS A 64 -0.432 -13.064 1.388 1.00 0.00 C ATOM 975 C CYS A 64 0.520 -14.164 0.929 1.00 0.00 C ATOM 976 O CYS A 64 0.110 -15.122 0.274 1.00 0.00 O ATOM 977 CB CYS A 64 -1.250 -13.549 2.586 1.00 0.00 C ATOM 978 SG CYS A 64 -2.091 -15.126 2.315 1.00 0.00 S ATOM 0 H CYS A 64 -1.983 -13.370 0.012 1.00 0.00 H new ATOM 0 HA CYS A 64 0.159 -12.198 1.687 1.00 0.00 H new ATOM 0 HB2 CYS A 64 -0.590 -13.645 3.448 1.00 0.00 H new ATOM 0 HB3 CYS A 64 -1.993 -12.791 2.836 1.00 0.00 H new ATOM 0 HG CYS A 64 -1.523 -15.757 1.331 1.00 0.00 H new ATOM 984 N LYS A 65 1.795 -14.018 1.274 1.00 0.00 N ATOM 985 CA LYS A 65 2.807 -14.997 0.897 1.00 0.00 C ATOM 986 C LYS A 65 2.596 -16.312 1.642 1.00 0.00 C ATOM 987 O LYS A 65 1.702 -16.424 2.480 1.00 0.00 O ATOM 988 CB LYS A 65 4.207 -14.453 1.190 1.00 0.00 C ATOM 989 CG LYS A 65 4.813 -13.678 0.032 1.00 0.00 C ATOM 990 CD LYS A 65 5.351 -14.610 -1.041 1.00 0.00 C ATOM 991 CE LYS A 65 6.788 -15.017 -0.756 1.00 0.00 C ATOM 992 NZ LYS A 65 7.760 -13.994 -1.234 1.00 0.00 N ATOM 0 H LYS A 65 2.152 -13.230 1.815 1.00 0.00 H new ATOM 0 HA LYS A 65 2.713 -15.186 -0.172 1.00 0.00 H new ATOM 0 HB2 LYS A 65 4.160 -13.805 2.065 1.00 0.00 H new ATOM 0 HB3 LYS A 65 4.865 -15.284 1.444 1.00 0.00 H new ATOM 0 HG2 LYS A 65 4.059 -13.020 -0.401 1.00 0.00 H new ATOM 0 HG3 LYS A 65 5.618 -13.042 0.400 1.00 0.00 H new ATOM 0 HD2 LYS A 65 4.724 -15.500 -1.099 1.00 0.00 H new ATOM 0 HD3 LYS A 65 5.297 -14.118 -2.012 1.00 0.00 H new ATOM 0 HE2 LYS A 65 6.917 -15.168 0.316 1.00 0.00 H new ATOM 0 HE3 LYS A 65 6.998 -15.971 -1.239 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 8.543 -14.465 -1.731 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 7.282 -13.338 -1.884 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 8.135 -13.465 -0.421 1.00 0.00 H new ATOM 1006 N ALA A 66 3.425 -17.303 1.330 1.00 0.00 N ATOM 1007 CA ALA A 66 3.330 -18.608 1.973 1.00 0.00 C ATOM 1008 C ALA A 66 3.704 -18.522 3.448 1.00 0.00 C ATOM 1009 O ALA A 66 2.976 -19.011 4.312 1.00 0.00 O ATOM 1010 CB ALA A 66 4.222 -19.613 1.258 1.00 0.00 C ATOM 0 H ALA A 66 4.169 -17.227 0.637 1.00 0.00 H new ATOM 0 HA ALA A 66 2.295 -18.944 1.907 1.00 0.00 H new ATOM 0 HB1 ALA A 66 4.142 -20.583 1.748 1.00 0.00 H new ATOM 0 HB2 ALA A 66 3.907 -19.704 0.219 1.00 0.00 H new ATOM 0 HB3 ALA A 66 5.257 -19.272 1.295 1.00 0.00 H new ATOM 1016 N ASP A 67 4.843 -17.898 3.730 1.00 0.00 N ATOM 1017 CA ASP A 67 5.313 -17.748 5.103 1.00 0.00 C ATOM 1018 C ASP A 67 4.669 -16.535 5.768 1.00 0.00 C ATOM 1019 O ASP A 67 5.301 -15.846 6.568 1.00 0.00 O ATOM 1020 CB ASP A 67 6.836 -17.612 5.130 1.00 0.00 C ATOM 1021 CG ASP A 67 7.539 -18.949 4.994 1.00 0.00 C ATOM 1022 OD1 ASP A 67 7.207 -19.874 5.765 1.00 0.00 O ATOM 1023 OD2 ASP A 67 8.420 -19.069 4.118 1.00 0.00 O ATOM 0 H ASP A 67 5.458 -17.488 3.027 1.00 0.00 H new ATOM 0 HA ASP A 67 5.026 -18.640 5.660 1.00 0.00 H new ATOM 0 HB2 ASP A 67 7.154 -16.954 4.321 1.00 0.00 H new ATOM 0 HB3 ASP A 67 7.139 -17.139 6.064 1.00 0.00 H new ATOM 1028 N ALA A 68 3.409 -16.280 5.430 1.00 0.00 N ATOM 1029 CA ALA A 68 2.681 -15.151 5.995 1.00 0.00 C ATOM 1030 C ALA A 68 2.748 -15.161 7.518 1.00 0.00 C ATOM 1031 O ALA A 68 2.689 -14.111 8.157 1.00 0.00 O ATOM 1032 CB ALA A 68 1.232 -15.172 5.529 1.00 0.00 C ATOM 0 H ALA A 68 2.872 -16.840 4.768 1.00 0.00 H new ATOM 0 HA ALA A 68 3.152 -14.233 5.643 1.00 0.00 H new ATOM 0 HB1 ALA A 68 0.699 -14.323 5.958 1.00 0.00 H new ATOM 0 HB2 ALA A 68 1.199 -15.109 4.441 1.00 0.00 H new ATOM 0 HB3 ALA A 68 0.759 -16.099 5.853 1.00 0.00 H new ATOM 1038 N GLU A 69 2.873 -16.353 8.093 1.00 0.00 N ATOM 1039 CA GLU A 69 2.947 -16.498 9.542 1.00 0.00 C ATOM 1040 C GLU A 69 3.784 -15.381 10.158 1.00 0.00 C ATOM 1041 O GLU A 69 3.504 -14.919 11.264 1.00 0.00 O ATOM 1042 CB GLU A 69 3.541 -17.859 9.911 1.00 0.00 C ATOM 1043 CG GLU A 69 5.020 -17.985 9.588 1.00 0.00 C ATOM 1044 CD GLU A 69 5.582 -19.346 9.950 1.00 0.00 C ATOM 1045 OE1 GLU A 69 5.545 -20.251 9.089 1.00 0.00 O ATOM 1046 OE2 GLU A 69 6.060 -19.507 11.092 1.00 0.00 O ATOM 0 H GLU A 69 2.925 -17.232 7.578 1.00 0.00 H new ATOM 0 HA GLU A 69 1.935 -16.432 9.941 1.00 0.00 H new ATOM 0 HB2 GLU A 69 3.394 -18.033 10.977 1.00 0.00 H new ATOM 0 HB3 GLU A 69 2.994 -18.640 9.382 1.00 0.00 H new ATOM 0 HG2 GLU A 69 5.172 -17.804 8.524 1.00 0.00 H new ATOM 0 HG3 GLU A 69 5.572 -17.214 10.125 1.00 0.00 H new ATOM 1053 N GLU A 70 4.813 -14.953 9.434 1.00 0.00 N ATOM 1054 CA GLU A 70 5.692 -13.891 9.910 1.00 0.00 C ATOM 1055 C GLU A 70 5.085 -12.518 9.636 1.00 0.00 C ATOM 1056 O GLU A 70 5.227 -11.594 10.435 1.00 0.00 O ATOM 1057 CB GLU A 70 7.065 -13.997 9.242 1.00 0.00 C ATOM 1058 CG GLU A 70 7.889 -12.724 9.341 1.00 0.00 C ATOM 1059 CD GLU A 70 9.382 -12.993 9.314 1.00 0.00 C ATOM 1060 OE1 GLU A 70 9.785 -14.053 8.792 1.00 0.00 O ATOM 1061 OE2 GLU A 70 10.146 -12.142 9.817 1.00 0.00 O ATOM 0 H GLU A 70 5.059 -15.325 8.516 1.00 0.00 H new ATOM 0 HA GLU A 70 5.810 -14.008 10.987 1.00 0.00 H new ATOM 0 HB2 GLU A 70 7.620 -14.816 9.699 1.00 0.00 H new ATOM 0 HB3 GLU A 70 6.930 -14.252 8.191 1.00 0.00 H new ATOM 0 HG2 GLU A 70 7.628 -12.061 8.516 1.00 0.00 H new ATOM 0 HG3 GLU A 70 7.634 -12.201 10.263 1.00 0.00 H new ATOM 1068 N GLY A 71 4.408 -12.393 8.498 1.00 0.00 N ATOM 1069 CA GLY A 71 3.791 -11.130 8.138 1.00 0.00 C ATOM 1070 C GLY A 71 4.278 -10.607 6.801 1.00 0.00 C ATOM 1071 O GLY A 71 4.785 -9.489 6.712 1.00 0.00 O ATOM 0 H GLY A 71 4.276 -13.143 7.820 1.00 0.00 H new ATOM 0 HA2 GLY A 71 2.709 -11.255 8.103 1.00 0.00 H new ATOM 0 HA3 GLY A 71 4.002 -10.392 8.912 1.00 0.00 H new ATOM 1075 N ILE A 72 4.126 -11.418 5.759 1.00 0.00 N ATOM 1076 CA ILE A 72 4.555 -11.030 4.421 1.00 0.00 C ATOM 1077 C ILE A 72 3.379 -11.010 3.451 1.00 0.00 C ATOM 1078 O ILE A 72 2.490 -11.859 3.518 1.00 0.00 O ATOM 1079 CB ILE A 72 5.637 -11.983 3.879 1.00 0.00 C ATOM 1080 CG1 ILE A 72 6.765 -12.143 4.901 1.00 0.00 C ATOM 1081 CG2 ILE A 72 6.183 -11.466 2.556 1.00 0.00 C ATOM 1082 CD1 ILE A 72 6.471 -13.173 5.968 1.00 0.00 C ATOM 0 H ILE A 72 3.709 -12.347 5.816 1.00 0.00 H new ATOM 0 HA ILE A 72 4.973 -10.027 4.502 1.00 0.00 H new ATOM 0 HB ILE A 72 5.187 -12.961 3.707 1.00 0.00 H new ATOM 0 HG12 ILE A 72 7.680 -12.423 4.379 1.00 0.00 H new ATOM 0 HG13 ILE A 72 6.952 -11.181 5.378 1.00 0.00 H new ATOM 0 HG21 ILE A 72 6.947 -12.150 2.185 1.00 0.00 H new ATOM 0 HG22 ILE A 72 5.373 -11.398 1.830 1.00 0.00 H new ATOM 0 HG23 ILE A 72 6.621 -10.479 2.704 1.00 0.00 H new ATOM 0 HD11 ILE A 72 7.313 -13.233 6.657 1.00 0.00 H new ATOM 0 HD12 ILE A 72 5.574 -12.884 6.515 1.00 0.00 H new ATOM 0 HD13 ILE A 72 6.314 -14.145 5.501 1.00 0.00 H new ATOM 1094 N PHE A 73 3.381 -10.035 2.548 1.00 0.00 N ATOM 1095 CA PHE A 73 2.315 -9.904 1.562 1.00 0.00 C ATOM 1096 C PHE A 73 2.864 -9.402 0.230 1.00 0.00 C ATOM 1097 O PHE A 73 4.033 -9.030 0.130 1.00 0.00 O ATOM 1098 CB PHE A 73 1.233 -8.950 2.073 1.00 0.00 C ATOM 1099 CG PHE A 73 1.738 -7.562 2.344 1.00 0.00 C ATOM 1100 CD1 PHE A 73 2.405 -7.271 3.524 1.00 0.00 C ATOM 1101 CD2 PHE A 73 1.547 -6.547 1.420 1.00 0.00 C ATOM 1102 CE1 PHE A 73 2.870 -5.994 3.776 1.00 0.00 C ATOM 1103 CE2 PHE A 73 2.010 -5.269 1.667 1.00 0.00 C ATOM 1104 CZ PHE A 73 2.674 -4.992 2.846 1.00 0.00 C ATOM 0 H PHE A 73 4.109 -9.324 2.479 1.00 0.00 H new ATOM 0 HA PHE A 73 1.876 -10.889 1.405 1.00 0.00 H new ATOM 0 HB2 PHE A 73 0.429 -8.899 1.339 1.00 0.00 H new ATOM 0 HB3 PHE A 73 0.804 -9.357 2.988 1.00 0.00 H new ATOM 0 HD1 PHE A 73 2.563 -8.051 4.254 1.00 0.00 H new ATOM 0 HD2 PHE A 73 1.030 -6.758 0.496 1.00 0.00 H new ATOM 0 HE1 PHE A 73 3.387 -5.780 4.700 1.00 0.00 H new ATOM 0 HE2 PHE A 73 1.853 -4.487 0.939 1.00 0.00 H new ATOM 0 HZ PHE A 73 3.039 -3.994 3.040 1.00 0.00 H new ATOM 1114 N GLU A 74 2.011 -9.395 -0.790 1.00 0.00 N ATOM 1115 CA GLU A 74 2.412 -8.940 -2.116 1.00 0.00 C ATOM 1116 C GLU A 74 1.242 -8.279 -2.841 1.00 0.00 C ATOM 1117 O GLU A 74 0.083 -8.633 -2.622 1.00 0.00 O ATOM 1118 CB GLU A 74 2.942 -10.113 -2.944 1.00 0.00 C ATOM 1119 CG GLU A 74 4.380 -10.482 -2.623 1.00 0.00 C ATOM 1120 CD GLU A 74 4.706 -11.921 -2.977 1.00 0.00 C ATOM 1121 OE1 GLU A 74 3.767 -12.742 -3.040 1.00 0.00 O ATOM 1122 OE2 GLU A 74 5.898 -12.225 -3.190 1.00 0.00 O ATOM 0 H GLU A 74 1.040 -9.699 -0.723 1.00 0.00 H new ATOM 0 HA GLU A 74 3.206 -8.203 -1.994 1.00 0.00 H new ATOM 0 HB2 GLU A 74 2.306 -10.982 -2.776 1.00 0.00 H new ATOM 0 HB3 GLU A 74 2.867 -9.863 -4.002 1.00 0.00 H new ATOM 0 HG2 GLU A 74 5.052 -9.817 -3.166 1.00 0.00 H new ATOM 0 HG3 GLU A 74 4.564 -10.323 -1.560 1.00 0.00 H new ATOM 1129 N ILE A 75 1.556 -7.319 -3.704 1.00 0.00 N ATOM 1130 CA ILE A 75 0.532 -6.609 -4.461 1.00 0.00 C ATOM 1131 C ILE A 75 0.691 -6.848 -5.959 1.00 0.00 C ATOM 1132 O ILE A 75 1.690 -6.452 -6.559 1.00 0.00 O ATOM 1133 CB ILE A 75 0.577 -5.095 -4.187 1.00 0.00 C ATOM 1134 CG1 ILE A 75 0.448 -4.822 -2.686 1.00 0.00 C ATOM 1135 CG2 ILE A 75 -0.527 -4.384 -4.956 1.00 0.00 C ATOM 1136 CD1 ILE A 75 0.429 -3.350 -2.339 1.00 0.00 C ATOM 0 H ILE A 75 2.510 -7.015 -3.897 1.00 0.00 H new ATOM 0 HA ILE A 75 -0.431 -7.001 -4.133 1.00 0.00 H new ATOM 0 HB ILE A 75 1.538 -4.708 -4.527 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -0.467 -5.286 -2.318 1.00 0.00 H new ATOM 0 HG13 ILE A 75 1.278 -5.299 -2.165 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -0.482 -3.314 -4.752 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -0.395 -4.555 -6.024 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -1.496 -4.772 -4.644 1.00 0.00 H new ATOM 0 HD11 ILE A 75 0.336 -3.232 -1.259 1.00 0.00 H new ATOM 0 HD12 ILE A 75 1.355 -2.885 -2.676 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -0.418 -2.871 -2.831 1.00 0.00 H new ATOM 1148 N LYS A 76 -0.302 -7.497 -6.558 1.00 0.00 N ATOM 1149 CA LYS A 76 -0.275 -7.786 -7.987 1.00 0.00 C ATOM 1150 C LYS A 76 -0.843 -6.620 -8.789 1.00 0.00 C ATOM 1151 O LYS A 76 -2.001 -6.238 -8.614 1.00 0.00 O ATOM 1152 CB LYS A 76 -1.070 -9.059 -8.285 1.00 0.00 C ATOM 1153 CG LYS A 76 -0.216 -10.315 -8.322 1.00 0.00 C ATOM 1154 CD LYS A 76 -0.230 -11.038 -6.985 1.00 0.00 C ATOM 1155 CE LYS A 76 0.308 -10.156 -5.869 1.00 0.00 C ATOM 1156 NZ LYS A 76 0.808 -10.960 -4.719 1.00 0.00 N ATOM 0 H LYS A 76 -1.136 -7.833 -6.076 1.00 0.00 H new ATOM 0 HA LYS A 76 0.763 -7.935 -8.283 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -1.845 -9.179 -7.528 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -1.576 -8.945 -9.244 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -0.583 -10.983 -9.102 1.00 0.00 H new ATOM 0 HG3 LYS A 76 0.809 -10.052 -8.584 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -1.248 -11.347 -6.748 1.00 0.00 H new ATOM 0 HD3 LYS A 76 0.370 -11.945 -7.054 1.00 0.00 H new ATOM 0 HE2 LYS A 76 1.115 -9.533 -6.255 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -0.478 -9.483 -5.527 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 0.626 -10.448 -3.832 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 0.317 -11.876 -4.696 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 1.831 -11.118 -4.824 1.00 0.00 H new ATOM 1170 N THR A 77 -0.022 -6.058 -9.671 1.00 0.00 N ATOM 1171 CA THR A 77 -0.443 -4.936 -10.500 1.00 0.00 C ATOM 1172 C THR A 77 -0.118 -5.185 -11.968 1.00 0.00 C ATOM 1173 O THR A 77 0.821 -5.905 -12.308 1.00 0.00 O ATOM 1174 CB THR A 77 0.228 -3.624 -10.053 1.00 0.00 C ATOM 1175 OG1 THR A 77 1.628 -3.662 -10.354 1.00 0.00 O ATOM 1176 CG2 THR A 77 0.032 -3.396 -8.562 1.00 0.00 C ATOM 0 H THR A 77 0.939 -6.362 -9.829 1.00 0.00 H new ATOM 0 HA THR A 77 -1.522 -4.842 -10.380 1.00 0.00 H new ATOM 0 HB THR A 77 -0.238 -2.801 -10.595 1.00 0.00 H new ATOM 0 HG1 THR A 77 2.125 -3.955 -9.562 1.00 0.00 H new ATOM 0 HG21 THR A 77 0.515 -2.463 -8.270 1.00 0.00 H new ATOM 0 HG22 THR A 77 -1.034 -3.338 -8.340 1.00 0.00 H new ATOM 0 HG23 THR A 77 0.474 -4.223 -8.006 1.00 0.00 H new ATOM 1184 N PRO A 78 -0.911 -4.577 -12.863 1.00 0.00 N ATOM 1185 CA PRO A 78 -0.726 -4.717 -14.310 1.00 0.00 C ATOM 1186 C PRO A 78 0.535 -4.015 -14.804 1.00 0.00 C ATOM 1187 O PRO A 78 0.897 -4.120 -15.976 1.00 0.00 O ATOM 1188 CB PRO A 78 -1.973 -4.049 -14.894 1.00 0.00 C ATOM 1189 CG PRO A 78 -2.407 -3.079 -13.849 1.00 0.00 C ATOM 1190 CD PRO A 78 -2.049 -3.704 -12.529 1.00 0.00 C ATOM 0 HA PRO A 78 -0.606 -5.759 -14.606 1.00 0.00 H new ATOM 0 HB2 PRO A 78 -1.749 -3.545 -15.834 1.00 0.00 H new ATOM 0 HB3 PRO A 78 -2.753 -4.781 -15.103 1.00 0.00 H new ATOM 0 HG2 PRO A 78 -1.906 -2.119 -13.975 1.00 0.00 H new ATOM 0 HG3 PRO A 78 -3.479 -2.890 -13.913 1.00 0.00 H new ATOM 0 HD2 PRO A 78 -1.775 -2.952 -11.789 1.00 0.00 H new ATOM 0 HD3 PRO A 78 -2.882 -4.271 -12.114 1.00 0.00 H new ATOM 1198 N SER A 79 1.200 -3.300 -13.902 1.00 0.00 N ATOM 1199 CA SER A 79 2.419 -2.578 -14.247 1.00 0.00 C ATOM 1200 C SER A 79 3.652 -3.316 -13.735 1.00 0.00 C ATOM 1201 O SER A 79 4.598 -3.562 -14.484 1.00 0.00 O ATOM 1202 CB SER A 79 2.381 -1.163 -13.667 1.00 0.00 C ATOM 1203 OG SER A 79 3.635 -0.519 -13.810 1.00 0.00 O ATOM 0 H SER A 79 0.915 -3.205 -12.927 1.00 0.00 H new ATOM 0 HA SER A 79 2.479 -2.516 -15.334 1.00 0.00 H new ATOM 0 HB2 SER A 79 1.610 -0.581 -14.171 1.00 0.00 H new ATOM 0 HB3 SER A 79 2.109 -1.206 -12.612 1.00 0.00 H new ATOM 0 HG SER A 79 3.584 0.384 -13.433 1.00 0.00 H new ATOM 1209 N ARG A 80 3.633 -3.668 -12.453 1.00 0.00 N ATOM 1210 CA ARG A 80 4.749 -4.377 -11.839 1.00 0.00 C ATOM 1211 C ARG A 80 4.348 -4.951 -10.483 1.00 0.00 C ATOM 1212 O ARG A 80 3.876 -4.227 -9.606 1.00 0.00 O ATOM 1213 CB ARG A 80 5.947 -3.441 -11.674 1.00 0.00 C ATOM 1214 CG ARG A 80 5.686 -2.277 -10.732 1.00 0.00 C ATOM 1215 CD ARG A 80 6.915 -1.394 -10.583 1.00 0.00 C ATOM 1216 NE ARG A 80 7.193 -0.633 -11.798 1.00 0.00 N ATOM 1217 CZ ARG A 80 7.951 0.458 -11.824 1.00 0.00 C ATOM 1218 NH1 ARG A 80 8.503 0.913 -10.708 1.00 0.00 N ATOM 1219 NH2 ARG A 80 8.157 1.096 -12.969 1.00 0.00 N ATOM 0 H ARG A 80 2.857 -3.474 -11.820 1.00 0.00 H new ATOM 0 HA ARG A 80 5.028 -5.201 -12.495 1.00 0.00 H new ATOM 0 HB2 ARG A 80 6.797 -4.014 -11.303 1.00 0.00 H new ATOM 0 HB3 ARG A 80 6.229 -3.050 -12.652 1.00 0.00 H new ATOM 0 HG2 ARG A 80 4.853 -1.683 -11.108 1.00 0.00 H new ATOM 0 HG3 ARG A 80 5.390 -2.658 -9.755 1.00 0.00 H new ATOM 0 HD2 ARG A 80 6.768 -0.706 -9.750 1.00 0.00 H new ATOM 0 HD3 ARG A 80 7.778 -2.013 -10.337 1.00 0.00 H new ATOM 0 HE ARG A 80 6.783 -0.957 -12.674 1.00 0.00 H new ATOM 0 HH11 ARG A 80 8.346 0.425 -9.826 1.00 0.00 H new ATOM 0 HH12 ARG A 80 9.084 1.751 -10.731 1.00 0.00 H new ATOM 0 HH21 ARG A 80 7.733 0.749 -13.830 1.00 0.00 H new ATOM 0 HH22 ARG A 80 8.739 1.933 -12.989 1.00 0.00 H new ATOM 1233 N VAL A 81 4.538 -6.256 -10.319 1.00 0.00 N ATOM 1234 CA VAL A 81 4.197 -6.928 -9.071 1.00 0.00 C ATOM 1235 C VAL A 81 5.202 -6.592 -7.974 1.00 0.00 C ATOM 1236 O VAL A 81 6.396 -6.861 -8.108 1.00 0.00 O ATOM 1237 CB VAL A 81 4.144 -8.456 -9.252 1.00 0.00 C ATOM 1238 CG1 VAL A 81 3.943 -9.146 -7.911 1.00 0.00 C ATOM 1239 CG2 VAL A 81 3.042 -8.838 -10.228 1.00 0.00 C ATOM 0 H VAL A 81 4.927 -6.869 -11.035 1.00 0.00 H new ATOM 0 HA VAL A 81 3.210 -6.570 -8.778 1.00 0.00 H new ATOM 0 HB VAL A 81 5.096 -8.789 -9.666 1.00 0.00 H new ATOM 0 HG11 VAL A 81 3.908 -10.225 -8.059 1.00 0.00 H new ATOM 0 HG12 VAL A 81 4.770 -8.897 -7.246 1.00 0.00 H new ATOM 0 HG13 VAL A 81 3.006 -8.810 -7.466 1.00 0.00 H new ATOM 0 HG21 VAL A 81 3.019 -9.922 -10.344 1.00 0.00 H new ATOM 0 HG22 VAL A 81 2.081 -8.493 -9.845 1.00 0.00 H new ATOM 0 HG23 VAL A 81 3.235 -8.373 -11.195 1.00 0.00 H new ATOM 1249 N ILE A 82 4.710 -6.003 -6.889 1.00 0.00 N ATOM 1250 CA ILE A 82 5.564 -5.631 -5.768 1.00 0.00 C ATOM 1251 C ILE A 82 5.438 -6.633 -4.625 1.00 0.00 C ATOM 1252 O ILE A 82 4.431 -7.331 -4.504 1.00 0.00 O ATOM 1253 CB ILE A 82 5.224 -4.224 -5.242 1.00 0.00 C ATOM 1254 CG1 ILE A 82 5.407 -3.184 -6.350 1.00 0.00 C ATOM 1255 CG2 ILE A 82 6.091 -3.884 -4.040 1.00 0.00 C ATOM 1256 CD1 ILE A 82 6.790 -3.191 -6.961 1.00 0.00 C ATOM 0 H ILE A 82 3.724 -5.773 -6.763 1.00 0.00 H new ATOM 0 HA ILE A 82 6.589 -5.633 -6.139 1.00 0.00 H new ATOM 0 HB ILE A 82 4.181 -4.212 -4.927 1.00 0.00 H new ATOM 0 HG12 ILE A 82 4.671 -3.366 -7.133 1.00 0.00 H new ATOM 0 HG13 ILE A 82 5.202 -2.193 -5.945 1.00 0.00 H new ATOM 0 HG21 ILE A 82 5.839 -2.887 -3.680 1.00 0.00 H new ATOM 0 HG22 ILE A 82 5.915 -4.611 -3.247 1.00 0.00 H new ATOM 0 HG23 ILE A 82 7.141 -3.910 -4.330 1.00 0.00 H new ATOM 0 HD11 ILE A 82 6.848 -2.429 -7.739 1.00 0.00 H new ATOM 0 HD12 ILE A 82 7.530 -2.979 -6.189 1.00 0.00 H new ATOM 0 HD13 ILE A 82 6.990 -4.170 -7.396 1.00 0.00 H new ATOM 1268 N THR A 83 6.467 -6.698 -3.786 1.00 0.00 N ATOM 1269 CA THR A 83 6.472 -7.613 -2.652 1.00 0.00 C ATOM 1270 C THR A 83 6.888 -6.899 -1.371 1.00 0.00 C ATOM 1271 O THR A 83 8.072 -6.643 -1.148 1.00 0.00 O ATOM 1272 CB THR A 83 7.419 -8.803 -2.894 1.00 0.00 C ATOM 1273 OG1 THR A 83 7.060 -9.477 -4.106 1.00 0.00 O ATOM 1274 CG2 THR A 83 7.369 -9.781 -1.730 1.00 0.00 C ATOM 0 H THR A 83 7.308 -6.127 -3.871 1.00 0.00 H new ATOM 0 HA THR A 83 5.454 -7.986 -2.543 1.00 0.00 H new ATOM 0 HB THR A 83 8.435 -8.418 -2.980 1.00 0.00 H new ATOM 0 HG1 THR A 83 7.668 -10.231 -4.253 1.00 0.00 H new ATOM 0 HG21 THR A 83 8.046 -10.613 -1.924 1.00 0.00 H new ATOM 0 HG22 THR A 83 7.672 -9.273 -0.815 1.00 0.00 H new ATOM 0 HG23 THR A 83 6.353 -10.159 -1.616 1.00 0.00 H new ATOM 1282 N LEU A 84 5.909 -6.582 -0.531 1.00 0.00 N ATOM 1283 CA LEU A 84 6.174 -5.897 0.729 1.00 0.00 C ATOM 1284 C LEU A 84 5.760 -6.762 1.916 1.00 0.00 C ATOM 1285 O LEU A 84 4.769 -7.490 1.852 1.00 0.00 O ATOM 1286 CB LEU A 84 5.430 -4.561 0.774 1.00 0.00 C ATOM 1287 CG LEU A 84 5.479 -3.723 -0.504 1.00 0.00 C ATOM 1288 CD1 LEU A 84 4.550 -2.525 -0.393 1.00 0.00 C ATOM 1289 CD2 LEU A 84 6.904 -3.271 -0.791 1.00 0.00 C ATOM 0 H LEU A 84 4.924 -6.788 -0.700 1.00 0.00 H new ATOM 0 HA LEU A 84 7.246 -5.711 0.794 1.00 0.00 H new ATOM 0 HB2 LEU A 84 4.386 -4.757 1.016 1.00 0.00 H new ATOM 0 HB3 LEU A 84 5.840 -3.967 1.590 1.00 0.00 H new ATOM 0 HG LEU A 84 5.141 -4.342 -1.335 1.00 0.00 H new ATOM 0 HD11 LEU A 84 4.598 -1.941 -1.312 1.00 0.00 H new ATOM 0 HD12 LEU A 84 3.528 -2.870 -0.236 1.00 0.00 H new ATOM 0 HD13 LEU A 84 4.856 -1.904 0.449 1.00 0.00 H new ATOM 0 HD21 LEU A 84 6.920 -2.676 -1.704 1.00 0.00 H new ATOM 0 HD22 LEU A 84 7.269 -2.669 0.041 1.00 0.00 H new ATOM 0 HD23 LEU A 84 7.544 -4.144 -0.916 1.00 0.00 H new ATOM 1301 N LYS A 85 6.525 -6.676 2.999 1.00 0.00 N ATOM 1302 CA LYS A 85 6.237 -7.447 4.203 1.00 0.00 C ATOM 1303 C LYS A 85 6.104 -6.533 5.416 1.00 0.00 C ATOM 1304 O LYS A 85 6.770 -5.502 5.504 1.00 0.00 O ATOM 1305 CB LYS A 85 7.340 -8.480 4.447 1.00 0.00 C ATOM 1306 CG LYS A 85 8.650 -7.871 4.918 1.00 0.00 C ATOM 1307 CD LYS A 85 9.696 -8.939 5.188 1.00 0.00 C ATOM 1308 CE LYS A 85 10.676 -8.499 6.265 1.00 0.00 C ATOM 1309 NZ LYS A 85 12.015 -9.126 6.086 1.00 0.00 N ATOM 0 H LYS A 85 7.350 -6.080 3.068 1.00 0.00 H new ATOM 0 HA LYS A 85 5.289 -7.964 4.055 1.00 0.00 H new ATOM 0 HB2 LYS A 85 6.995 -9.199 5.190 1.00 0.00 H new ATOM 0 HB3 LYS A 85 7.517 -9.035 3.526 1.00 0.00 H new ATOM 0 HG2 LYS A 85 9.022 -7.178 4.163 1.00 0.00 H new ATOM 0 HG3 LYS A 85 8.478 -7.292 5.825 1.00 0.00 H new ATOM 0 HD2 LYS A 85 9.204 -9.862 5.497 1.00 0.00 H new ATOM 0 HD3 LYS A 85 10.239 -9.159 4.269 1.00 0.00 H new ATOM 0 HE2 LYS A 85 10.777 -7.414 6.243 1.00 0.00 H new ATOM 0 HE3 LYS A 85 10.280 -8.762 7.246 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 12.712 -8.633 6.680 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 11.970 -10.127 6.364 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 12.300 -9.057 5.088 1.00 0.00 H new ATOM 1323 N ALA A 86 5.240 -6.918 6.350 1.00 0.00 N ATOM 1324 CA ALA A 86 5.022 -6.134 7.559 1.00 0.00 C ATOM 1325 C ALA A 86 5.719 -6.770 8.758 1.00 0.00 C ATOM 1326 O ALA A 86 6.284 -7.858 8.654 1.00 0.00 O ATOM 1327 CB ALA A 86 3.533 -5.985 7.830 1.00 0.00 C ATOM 0 H ALA A 86 4.680 -7.768 6.292 1.00 0.00 H new ATOM 0 HA ALA A 86 5.452 -5.145 7.404 1.00 0.00 H new ATOM 0 HB1 ALA A 86 3.385 -5.397 8.736 1.00 0.00 H new ATOM 0 HB2 ALA A 86 3.059 -5.480 6.988 1.00 0.00 H new ATOM 0 HB3 ALA A 86 3.086 -6.971 7.960 1.00 0.00 H new ATOM 1333 N ALA A 87 5.674 -6.083 9.895 1.00 0.00 N ATOM 1334 CA ALA A 87 6.300 -6.582 11.113 1.00 0.00 C ATOM 1335 C ALA A 87 5.829 -7.996 11.433 1.00 0.00 C ATOM 1336 O ALA A 87 6.581 -8.961 11.290 1.00 0.00 O ATOM 1337 CB ALA A 87 6.005 -5.648 12.278 1.00 0.00 C ATOM 0 H ALA A 87 5.211 -5.180 9.998 1.00 0.00 H new ATOM 0 HA ALA A 87 7.377 -6.615 10.952 1.00 0.00 H new ATOM 0 HB1 ALA A 87 6.478 -6.032 13.181 1.00 0.00 H new ATOM 0 HB2 ALA A 87 6.397 -4.655 12.057 1.00 0.00 H new ATOM 0 HB3 ALA A 87 4.928 -5.586 12.431 1.00 0.00 H new ATOM 1343 N THR A 88 4.578 -8.114 11.869 1.00 0.00 N ATOM 1344 CA THR A 88 4.007 -9.410 12.212 1.00 0.00 C ATOM 1345 C THR A 88 2.803 -9.730 11.333 1.00 0.00 C ATOM 1346 O THR A 88 2.484 -8.987 10.404 1.00 0.00 O ATOM 1347 CB THR A 88 3.577 -9.462 13.690 1.00 0.00 C ATOM 1348 OG1 THR A 88 2.542 -8.503 13.933 1.00 0.00 O ATOM 1349 CG2 THR A 88 4.759 -9.183 14.607 1.00 0.00 C ATOM 0 H THR A 88 3.941 -7.327 11.993 1.00 0.00 H new ATOM 0 HA THR A 88 4.786 -10.153 12.042 1.00 0.00 H new ATOM 0 HB THR A 88 3.201 -10.463 13.901 1.00 0.00 H new ATOM 0 HG1 THR A 88 2.273 -8.544 14.874 1.00 0.00 H new ATOM 0 HG21 THR A 88 4.431 -9.225 15.646 1.00 0.00 H new ATOM 0 HG22 THR A 88 5.534 -9.932 14.440 1.00 0.00 H new ATOM 0 HG23 THR A 88 5.160 -8.192 14.393 1.00 0.00 H new ATOM 1357 N LYS A 89 2.137 -10.840 11.632 1.00 0.00 N ATOM 1358 CA LYS A 89 0.966 -11.258 10.870 1.00 0.00 C ATOM 1359 C LYS A 89 -0.168 -10.249 11.017 1.00 0.00 C ATOM 1360 O LYS A 89 -0.843 -9.915 10.044 1.00 0.00 O ATOM 1361 CB LYS A 89 0.497 -12.639 11.335 1.00 0.00 C ATOM 1362 CG LYS A 89 -0.841 -13.056 10.749 1.00 0.00 C ATOM 1363 CD LYS A 89 -0.668 -13.798 9.435 1.00 0.00 C ATOM 1364 CE LYS A 89 -1.953 -14.494 9.014 1.00 0.00 C ATOM 1365 NZ LYS A 89 -1.686 -15.674 8.146 1.00 0.00 N ATOM 0 H LYS A 89 2.388 -11.467 12.397 1.00 0.00 H new ATOM 0 HA LYS A 89 1.248 -11.311 9.818 1.00 0.00 H new ATOM 0 HB2 LYS A 89 1.250 -13.379 11.064 1.00 0.00 H new ATOM 0 HB3 LYS A 89 0.425 -12.642 12.423 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -1.368 -13.692 11.460 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -1.461 -12.173 10.590 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -0.361 -13.098 8.658 1.00 0.00 H new ATOM 0 HD3 LYS A 89 0.130 -14.534 9.534 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -2.501 -14.812 9.901 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -2.591 -13.788 8.481 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -2.587 -16.121 7.881 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -1.185 -15.367 7.288 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -1.099 -16.359 8.663 1.00 0.00 H new ATOM 1379 N GLN A 90 -0.370 -9.766 12.239 1.00 0.00 N ATOM 1380 CA GLN A 90 -1.421 -8.793 12.511 1.00 0.00 C ATOM 1381 C GLN A 90 -1.150 -7.480 11.785 1.00 0.00 C ATOM 1382 O GLN A 90 -2.076 -6.800 11.346 1.00 0.00 O ATOM 1383 CB GLN A 90 -1.537 -8.544 14.016 1.00 0.00 C ATOM 1384 CG GLN A 90 -2.947 -8.201 14.470 1.00 0.00 C ATOM 1385 CD GLN A 90 -2.965 -7.293 15.683 1.00 0.00 C ATOM 1386 OE1 GLN A 90 -2.845 -6.074 15.563 1.00 0.00 O ATOM 1387 NE2 GLN A 90 -3.117 -7.884 16.863 1.00 0.00 N ATOM 0 H GLN A 90 0.180 -10.033 13.056 1.00 0.00 H new ATOM 0 HA GLN A 90 -2.363 -9.201 12.144 1.00 0.00 H new ATOM 0 HB2 GLN A 90 -1.199 -9.432 14.550 1.00 0.00 H new ATOM 0 HB3 GLN A 90 -0.867 -7.730 14.294 1.00 0.00 H new ATOM 0 HG2 GLN A 90 -3.481 -7.718 13.651 1.00 0.00 H new ATOM 0 HG3 GLN A 90 -3.484 -9.121 14.702 1.00 0.00 H new ATOM 0 HE21 GLN A 90 -3.213 -8.898 16.917 1.00 0.00 H new ATOM 0 HE22 GLN A 90 -3.138 -7.324 17.715 1.00 0.00 H new ATOM 1396 N ALA A 91 0.126 -7.130 11.664 1.00 0.00 N ATOM 1397 CA ALA A 91 0.520 -5.899 10.990 1.00 0.00 C ATOM 1398 C ALA A 91 -0.037 -5.847 9.571 1.00 0.00 C ATOM 1399 O ALA A 91 -0.860 -4.991 9.248 1.00 0.00 O ATOM 1400 CB ALA A 91 2.036 -5.770 10.968 1.00 0.00 C ATOM 0 H ALA A 91 0.905 -7.682 12.024 1.00 0.00 H new ATOM 0 HA ALA A 91 0.103 -5.060 11.548 1.00 0.00 H new ATOM 0 HB1 ALA A 91 2.315 -4.846 10.462 1.00 0.00 H new ATOM 0 HB2 ALA A 91 2.415 -5.752 11.990 1.00 0.00 H new ATOM 0 HB3 ALA A 91 2.466 -6.619 10.437 1.00 0.00 H new ATOM 1406 N MET A 92 0.417 -6.769 8.728 1.00 0.00 N ATOM 1407 CA MET A 92 -0.037 -6.828 7.344 1.00 0.00 C ATOM 1408 C MET A 92 -1.561 -6.823 7.271 1.00 0.00 C ATOM 1409 O MET A 92 -2.151 -6.114 6.454 1.00 0.00 O ATOM 1410 CB MET A 92 0.513 -8.080 6.657 1.00 0.00 C ATOM 1411 CG MET A 92 0.215 -9.367 7.409 1.00 0.00 C ATOM 1412 SD MET A 92 0.717 -10.837 6.495 1.00 0.00 S ATOM 1413 CE MET A 92 -0.787 -11.808 6.563 1.00 0.00 C ATOM 0 H MET A 92 1.099 -7.485 8.979 1.00 0.00 H new ATOM 0 HA MET A 92 0.337 -5.944 6.827 1.00 0.00 H new ATOM 0 HB2 MET A 92 0.091 -8.149 5.654 1.00 0.00 H new ATOM 0 HB3 MET A 92 1.592 -7.977 6.543 1.00 0.00 H new ATOM 0 HG2 MET A 92 0.728 -9.349 8.370 1.00 0.00 H new ATOM 0 HG3 MET A 92 -0.853 -9.422 7.619 1.00 0.00 H new ATOM 0 HE1 MET A 92 -0.534 -12.866 6.638 1.00 0.00 H new ATOM 0 HE2 MET A 92 -1.372 -11.512 7.434 1.00 0.00 H new ATOM 0 HE3 MET A 92 -1.371 -11.638 5.659 1.00 0.00 H new ATOM 1423 N LEU A 93 -2.193 -7.616 8.129 1.00 0.00 N ATOM 1424 CA LEU A 93 -3.649 -7.703 8.161 1.00 0.00 C ATOM 1425 C LEU A 93 -4.277 -6.313 8.151 1.00 0.00 C ATOM 1426 O LEU A 93 -5.353 -6.111 7.587 1.00 0.00 O ATOM 1427 CB LEU A 93 -4.106 -8.472 9.402 1.00 0.00 C ATOM 1428 CG LEU A 93 -3.965 -9.994 9.337 1.00 0.00 C ATOM 1429 CD1 LEU A 93 -4.162 -10.607 10.715 1.00 0.00 C ATOM 1430 CD2 LEU A 93 -4.958 -10.579 8.343 1.00 0.00 C ATOM 0 H LEU A 93 -1.720 -8.208 8.812 1.00 0.00 H new ATOM 0 HA LEU A 93 -3.977 -8.237 7.269 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -3.538 -8.111 10.259 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -5.153 -8.232 9.589 1.00 0.00 H new ATOM 0 HG LEU A 93 -2.957 -10.233 8.997 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -4.058 -11.690 10.650 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -3.412 -10.211 11.400 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -5.157 -10.360 11.084 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -4.844 -11.662 8.309 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -5.973 -10.331 8.654 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -4.769 -10.164 7.353 1.00 0.00 H new ATOM 1442 N TYR A 94 -3.598 -5.358 8.777 1.00 0.00 N ATOM 1443 CA TYR A 94 -4.090 -3.987 8.840 1.00 0.00 C ATOM 1444 C TYR A 94 -3.930 -3.288 7.493 1.00 0.00 C ATOM 1445 O TYR A 94 -4.806 -2.539 7.062 1.00 0.00 O ATOM 1446 CB TYR A 94 -3.346 -3.205 9.924 1.00 0.00 C ATOM 1447 CG TYR A 94 -3.501 -1.706 9.804 1.00 0.00 C ATOM 1448 CD1 TYR A 94 -4.737 -1.098 9.984 1.00 0.00 C ATOM 1449 CD2 TYR A 94 -2.409 -0.897 9.511 1.00 0.00 C ATOM 1450 CE1 TYR A 94 -4.883 0.271 9.874 1.00 0.00 C ATOM 1451 CE2 TYR A 94 -2.545 0.473 9.401 1.00 0.00 C ATOM 1452 CZ TYR A 94 -3.784 1.052 9.583 1.00 0.00 C ATOM 1453 OH TYR A 94 -3.925 2.417 9.474 1.00 0.00 O ATOM 0 H TYR A 94 -2.706 -5.508 9.248 1.00 0.00 H new ATOM 0 HA TYR A 94 -5.151 -4.020 9.088 1.00 0.00 H new ATOM 0 HB2 TYR A 94 -3.708 -3.522 10.902 1.00 0.00 H new ATOM 0 HB3 TYR A 94 -2.286 -3.457 9.879 1.00 0.00 H new ATOM 0 HD1 TYR A 94 -5.599 -1.707 10.214 1.00 0.00 H new ATOM 0 HD2 TYR A 94 -1.438 -1.347 9.367 1.00 0.00 H new ATOM 0 HE1 TYR A 94 -5.852 0.727 10.015 1.00 0.00 H new ATOM 0 HE2 TYR A 94 -1.686 1.088 9.174 1.00 0.00 H new ATOM 0 HH TYR A 94 -3.056 2.820 9.266 1.00 0.00 H new ATOM 1463 N TRP A 95 -2.805 -3.539 6.834 1.00 0.00 N ATOM 1464 CA TRP A 95 -2.528 -2.935 5.535 1.00 0.00 C ATOM 1465 C TRP A 95 -3.473 -3.480 4.470 1.00 0.00 C ATOM 1466 O TRP A 95 -4.097 -2.717 3.731 1.00 0.00 O ATOM 1467 CB TRP A 95 -1.077 -3.194 5.128 1.00 0.00 C ATOM 1468 CG TRP A 95 -0.133 -2.121 5.582 1.00 0.00 C ATOM 1469 CD1 TRP A 95 0.582 -2.097 6.745 1.00 0.00 C ATOM 1470 CD2 TRP A 95 0.197 -0.917 4.880 1.00 0.00 C ATOM 1471 NE1 TRP A 95 1.336 -0.950 6.809 1.00 0.00 N ATOM 1472 CE2 TRP A 95 1.118 -0.210 5.677 1.00 0.00 C ATOM 1473 CE3 TRP A 95 -0.195 -0.369 3.657 1.00 0.00 C ATOM 1474 CZ2 TRP A 95 1.651 1.016 5.289 1.00 0.00 C ATOM 1475 CZ3 TRP A 95 0.334 0.849 3.272 1.00 0.00 C ATOM 1476 CH2 TRP A 95 1.250 1.530 4.086 1.00 0.00 C ATOM 0 H TRP A 95 -2.069 -4.157 7.177 1.00 0.00 H new ATOM 0 HA TRP A 95 -2.687 -1.860 5.620 1.00 0.00 H new ATOM 0 HB2 TRP A 95 -0.756 -4.150 5.542 1.00 0.00 H new ATOM 0 HB3 TRP A 95 -1.021 -3.282 4.043 1.00 0.00 H new ATOM 0 HD1 TRP A 95 0.558 -2.866 7.503 1.00 0.00 H new ATOM 0 HE1 TRP A 95 1.957 -0.691 7.575 1.00 0.00 H new ATOM 0 HE3 TRP A 95 -0.899 -0.887 3.023 1.00 0.00 H new ATOM 0 HZ2 TRP A 95 2.356 1.543 5.915 1.00 0.00 H new ATOM 0 HZ3 TRP A 95 0.037 1.283 2.329 1.00 0.00 H new ATOM 0 HH2 TRP A 95 1.647 2.479 3.757 1.00 0.00 H new ATOM 1487 N LEU A 96 -3.574 -4.803 4.395 1.00 0.00 N ATOM 1488 CA LEU A 96 -4.444 -5.449 3.419 1.00 0.00 C ATOM 1489 C LEU A 96 -5.893 -5.012 3.606 1.00 0.00 C ATOM 1490 O LEU A 96 -6.565 -4.633 2.647 1.00 0.00 O ATOM 1491 CB LEU A 96 -4.339 -6.971 3.542 1.00 0.00 C ATOM 1492 CG LEU A 96 -2.922 -7.544 3.590 1.00 0.00 C ATOM 1493 CD1 LEU A 96 -2.963 -9.063 3.659 1.00 0.00 C ATOM 1494 CD2 LEU A 96 -2.120 -7.084 2.381 1.00 0.00 C ATOM 0 H LEU A 96 -3.064 -5.449 4.998 1.00 0.00 H new ATOM 0 HA LEU A 96 -4.119 -5.147 2.424 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -4.865 -7.280 4.445 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -4.863 -7.421 2.699 1.00 0.00 H new ATOM 0 HG LEU A 96 -2.430 -7.173 4.489 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -1.946 -9.453 3.692 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -3.500 -9.372 4.556 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -3.473 -9.454 2.778 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -1.114 -7.501 2.431 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -2.609 -7.425 1.469 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -2.062 -5.996 2.376 1.00 0.00 H new ATOM 1506 N GLN A 97 -6.366 -5.065 4.847 1.00 0.00 N ATOM 1507 CA GLN A 97 -7.735 -4.672 5.159 1.00 0.00 C ATOM 1508 C GLN A 97 -7.980 -3.213 4.791 1.00 0.00 C ATOM 1509 O GLN A 97 -8.865 -2.905 3.992 1.00 0.00 O ATOM 1510 CB GLN A 97 -8.024 -4.891 6.645 1.00 0.00 C ATOM 1511 CG GLN A 97 -9.377 -4.356 7.087 1.00 0.00 C ATOM 1512 CD GLN A 97 -10.487 -5.377 6.932 1.00 0.00 C ATOM 1513 OE1 GLN A 97 -10.679 -6.238 7.791 1.00 0.00 O ATOM 1514 NE2 GLN A 97 -11.226 -5.287 5.832 1.00 0.00 N ATOM 0 H GLN A 97 -5.822 -5.376 5.652 1.00 0.00 H new ATOM 0 HA GLN A 97 -8.408 -5.294 4.569 1.00 0.00 H new ATOM 0 HB2 GLN A 97 -7.976 -5.958 6.863 1.00 0.00 H new ATOM 0 HB3 GLN A 97 -7.243 -4.410 7.233 1.00 0.00 H new ATOM 0 HG2 GLN A 97 -9.317 -4.045 8.130 1.00 0.00 H new ATOM 0 HG3 GLN A 97 -9.621 -3.468 6.503 1.00 0.00 H new ATOM 0 HE21 GLN A 97 -11.032 -4.558 5.146 1.00 0.00 H new ATOM 0 HE22 GLN A 97 -11.987 -5.947 5.674 1.00 0.00 H new ATOM 1523 N GLN A 98 -7.192 -2.319 5.378 1.00 0.00 N ATOM 1524 CA GLN A 98 -7.325 -0.891 5.112 1.00 0.00 C ATOM 1525 C GLN A 98 -7.162 -0.598 3.624 1.00 0.00 C ATOM 1526 O GLN A 98 -8.060 -0.044 2.988 1.00 0.00 O ATOM 1527 CB GLN A 98 -6.290 -0.102 5.916 1.00 0.00 C ATOM 1528 CG GLN A 98 -6.737 0.221 7.332 1.00 0.00 C ATOM 1529 CD GLN A 98 -8.164 0.728 7.393 1.00 0.00 C ATOM 1530 OE1 GLN A 98 -9.116 -0.193 7.486 1.00 0.00 O flip ATOM 1531 NE2 GLN A 98 -8.409 1.934 7.356 1.00 0.00 N flip ATOM 0 H GLN A 98 -6.455 -2.558 6.041 1.00 0.00 H new ATOM 0 HA GLN A 98 -8.324 -0.581 5.418 1.00 0.00 H new ATOM 0 HB2 GLN A 98 -5.363 -0.673 5.958 1.00 0.00 H new ATOM 0 HB3 GLN A 98 -6.068 0.828 5.393 1.00 0.00 H new ATOM 0 HG2 GLN A 98 -6.646 -0.672 7.950 1.00 0.00 H new ATOM 0 HG3 GLN A 98 -6.070 0.972 7.757 1.00 0.00 H new ATOM 0 HE21 GLN A 98 -7.646 2.607 7.284 1.00 0.00 H new ATOM 0 HE22 GLN A 98 -9.375 2.260 7.397 1.00 0.00 H new ATOM 1540 N LEU A 99 -6.012 -0.971 3.075 1.00 0.00 N ATOM 1541 CA LEU A 99 -5.731 -0.747 1.661 1.00 0.00 C ATOM 1542 C LEU A 99 -6.985 -0.952 0.818 1.00 0.00 C ATOM 1543 O LEU A 99 -7.284 -0.154 -0.070 1.00 0.00 O ATOM 1544 CB LEU A 99 -4.623 -1.689 1.186 1.00 0.00 C ATOM 1545 CG LEU A 99 -3.191 -1.255 1.503 1.00 0.00 C ATOM 1546 CD1 LEU A 99 -2.199 -2.310 1.039 1.00 0.00 C ATOM 1547 CD2 LEU A 99 -2.886 0.088 0.856 1.00 0.00 C ATOM 0 H LEU A 99 -5.259 -1.430 3.587 1.00 0.00 H new ATOM 0 HA LEU A 99 -5.399 0.284 1.540 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -4.791 -2.669 1.632 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -4.714 -1.810 0.107 1.00 0.00 H new ATOM 0 HG LEU A 99 -3.095 -1.146 2.583 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -1.185 -1.984 1.273 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -2.404 -3.251 1.549 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -2.295 -2.452 -0.037 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -1.863 0.382 1.092 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -3.000 0.005 -0.225 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -3.576 0.841 1.237 1.00 0.00 H new ATOM 1559 N GLN A 100 -7.714 -2.026 1.103 1.00 0.00 N ATOM 1560 CA GLN A 100 -8.937 -2.334 0.371 1.00 0.00 C ATOM 1561 C GLN A 100 -9.926 -1.176 0.451 1.00 0.00 C ATOM 1562 O GLN A 100 -10.343 -0.632 -0.572 1.00 0.00 O ATOM 1563 CB GLN A 100 -9.580 -3.608 0.924 1.00 0.00 C ATOM 1564 CG GLN A 100 -8.879 -4.883 0.484 1.00 0.00 C ATOM 1565 CD GLN A 100 -9.221 -6.070 1.363 1.00 0.00 C ATOM 1566 OE1 GLN A 100 -8.691 -6.213 2.466 1.00 0.00 O ATOM 1567 NE2 GLN A 100 -10.110 -6.929 0.880 1.00 0.00 N ATOM 0 H GLN A 100 -7.479 -2.697 1.835 1.00 0.00 H new ATOM 0 HA GLN A 100 -8.674 -2.492 -0.675 1.00 0.00 H new ATOM 0 HB2 GLN A 100 -9.581 -3.561 2.013 1.00 0.00 H new ATOM 0 HB3 GLN A 100 -10.622 -3.647 0.605 1.00 0.00 H new ATOM 0 HG2 GLN A 100 -9.154 -5.107 -0.546 1.00 0.00 H new ATOM 0 HG3 GLN A 100 -7.801 -4.724 0.498 1.00 0.00 H new ATOM 0 HE21 GLN A 100 -10.524 -6.772 -0.039 1.00 0.00 H new ATOM 0 HE22 GLN A 100 -10.379 -7.746 1.428 1.00 0.00 H new ATOM 1576 N MET A 101 -10.298 -0.804 1.671 1.00 0.00 N ATOM 1577 CA MET A 101 -11.237 0.290 1.883 1.00 0.00 C ATOM 1578 C MET A 101 -11.049 1.380 0.833 1.00 0.00 C ATOM 1579 O MET A 101 -12.010 1.826 0.206 1.00 0.00 O ATOM 1580 CB MET A 101 -11.060 0.880 3.284 1.00 0.00 C ATOM 1581 CG MET A 101 -11.486 -0.063 4.398 1.00 0.00 C ATOM 1582 SD MET A 101 -13.178 -0.654 4.198 1.00 0.00 S ATOM 1583 CE MET A 101 -12.888 -2.360 3.737 1.00 0.00 C ATOM 0 H MET A 101 -9.963 -1.244 2.528 1.00 0.00 H new ATOM 0 HA MET A 101 -12.247 -0.110 1.790 1.00 0.00 H new ATOM 0 HB2 MET A 101 -10.013 1.149 3.427 1.00 0.00 H new ATOM 0 HB3 MET A 101 -11.638 1.801 3.357 1.00 0.00 H new ATOM 0 HG2 MET A 101 -10.808 -0.916 4.426 1.00 0.00 H new ATOM 0 HG3 MET A 101 -11.395 0.448 5.356 1.00 0.00 H new ATOM 0 HE1 MET A 101 -13.843 -2.861 3.578 1.00 0.00 H new ATOM 0 HE2 MET A 101 -12.303 -2.394 2.818 1.00 0.00 H new ATOM 0 HE3 MET A 101 -12.342 -2.864 4.534 1.00 0.00 H new ATOM 1593 N LYS A 102 -9.804 1.806 0.646 1.00 0.00 N ATOM 1594 CA LYS A 102 -9.488 2.843 -0.329 1.00 0.00 C ATOM 1595 C LYS A 102 -10.020 2.472 -1.710 1.00 0.00 C ATOM 1596 O LYS A 102 -10.783 3.226 -2.314 1.00 0.00 O ATOM 1597 CB LYS A 102 -7.975 3.064 -0.397 1.00 0.00 C ATOM 1598 CG LYS A 102 -7.348 3.391 0.948 1.00 0.00 C ATOM 1599 CD LYS A 102 -7.810 4.742 1.465 1.00 0.00 C ATOM 1600 CE LYS A 102 -7.038 5.156 2.709 1.00 0.00 C ATOM 1601 NZ LYS A 102 -7.736 6.235 3.461 1.00 0.00 N ATOM 0 H LYS A 102 -8.997 1.449 1.157 1.00 0.00 H new ATOM 0 HA LYS A 102 -9.970 3.767 -0.009 1.00 0.00 H new ATOM 0 HB2 LYS A 102 -7.503 2.168 -0.801 1.00 0.00 H new ATOM 0 HB3 LYS A 102 -7.766 3.876 -1.093 1.00 0.00 H new ATOM 0 HG2 LYS A 102 -7.608 2.616 1.669 1.00 0.00 H new ATOM 0 HG3 LYS A 102 -6.262 3.388 0.854 1.00 0.00 H new ATOM 0 HD2 LYS A 102 -7.680 5.494 0.687 1.00 0.00 H new ATOM 0 HD3 LYS A 102 -8.875 4.701 1.693 1.00 0.00 H new ATOM 0 HE2 LYS A 102 -6.903 4.290 3.357 1.00 0.00 H new ATOM 0 HE3 LYS A 102 -6.044 5.498 2.422 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 -7.556 6.121 4.479 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 -7.381 7.161 3.149 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 -8.759 6.178 3.281 1.00 0.00 H new ATOM 1615 N ARG A 103 -9.614 1.306 -2.202 1.00 0.00 N ATOM 1616 CA ARG A 103 -10.050 0.836 -3.511 1.00 0.00 C ATOM 1617 C ARG A 103 -11.537 0.490 -3.497 1.00 0.00 C ATOM 1618 O ARG A 103 -12.330 1.091 -4.220 1.00 0.00 O ATOM 1619 CB ARG A 103 -9.235 -0.388 -3.935 1.00 0.00 C ATOM 1620 CG ARG A 103 -9.757 -1.060 -5.194 1.00 0.00 C ATOM 1621 CD ARG A 103 -9.144 -2.439 -5.384 1.00 0.00 C ATOM 1622 NE ARG A 103 -10.047 -3.348 -6.084 1.00 0.00 N ATOM 1623 CZ ARG A 103 -9.984 -4.671 -5.980 1.00 0.00 C ATOM 1624 NH1 ARG A 103 -9.065 -5.236 -5.210 1.00 0.00 N ATOM 1625 NH2 ARG A 103 -10.842 -5.432 -6.649 1.00 0.00 N ATOM 0 H ARG A 103 -8.984 0.670 -1.714 1.00 0.00 H new ATOM 0 HA ARG A 103 -9.888 1.639 -4.230 1.00 0.00 H new ATOM 0 HB2 ARG A 103 -8.200 -0.087 -4.096 1.00 0.00 H new ATOM 0 HB3 ARG A 103 -9.233 -1.113 -3.121 1.00 0.00 H new ATOM 0 HG2 ARG A 103 -10.842 -1.147 -5.138 1.00 0.00 H new ATOM 0 HG3 ARG A 103 -9.532 -0.438 -6.060 1.00 0.00 H new ATOM 0 HD2 ARG A 103 -8.214 -2.348 -5.946 1.00 0.00 H new ATOM 0 HD3 ARG A 103 -8.889 -2.859 -4.411 1.00 0.00 H new ATOM 0 HE ARG A 103 -10.765 -2.945 -6.686 1.00 0.00 H new ATOM 0 HH11 ARG A 103 -8.404 -4.655 -4.695 1.00 0.00 H new ATOM 0 HH12 ARG A 103 -9.019 -6.252 -5.132 1.00 0.00 H new ATOM 0 HH21 ARG A 103 -11.550 -5.001 -7.243 1.00 0.00 H new ATOM 0 HH22 ARG A 103 -10.793 -6.448 -6.569 1.00 0.00 H new ATOM 1639 N TRP A 104 -11.905 -0.481 -2.670 1.00 0.00 N ATOM 1640 CA TRP A 104 -13.295 -0.907 -2.562 1.00 0.00 C ATOM 1641 C TRP A 104 -14.235 0.293 -2.585 1.00 0.00 C ATOM 1642 O TRP A 104 -15.199 0.323 -3.350 1.00 0.00 O ATOM 1643 CB TRP A 104 -13.506 -1.711 -1.278 1.00 0.00 C ATOM 1644 CG TRP A 104 -14.923 -1.692 -0.791 1.00 0.00 C ATOM 1645 CD1 TRP A 104 -15.942 -2.505 -1.201 1.00 0.00 C ATOM 1646 CD2 TRP A 104 -15.479 -0.817 0.196 1.00 0.00 C ATOM 1647 NE1 TRP A 104 -17.097 -2.187 -0.529 1.00 0.00 N ATOM 1648 CE2 TRP A 104 -16.839 -1.155 0.335 1.00 0.00 C ATOM 1649 CE3 TRP A 104 -14.960 0.219 0.978 1.00 0.00 C ATOM 1650 CZ2 TRP A 104 -17.684 -0.494 1.222 1.00 0.00 C ATOM 1651 CZ3 TRP A 104 -15.800 0.875 1.858 1.00 0.00 C ATOM 1652 CH2 TRP A 104 -17.149 0.516 1.975 1.00 0.00 C ATOM 0 H TRP A 104 -11.260 -0.988 -2.064 1.00 0.00 H new ATOM 0 HA TRP A 104 -13.522 -1.540 -3.420 1.00 0.00 H new ATOM 0 HB2 TRP A 104 -13.203 -2.744 -1.451 1.00 0.00 H new ATOM 0 HB3 TRP A 104 -12.856 -1.314 -0.498 1.00 0.00 H new ATOM 0 HD1 TRP A 104 -15.852 -3.283 -1.944 1.00 0.00 H new ATOM 0 HE1 TRP A 104 -18.000 -2.645 -0.653 1.00 0.00 H new ATOM 0 HE3 TRP A 104 -13.921 0.502 0.896 1.00 0.00 H new ATOM 0 HZ2 TRP A 104 -18.725 -0.768 1.313 1.00 0.00 H new ATOM 0 HZ3 TRP A 104 -15.410 1.678 2.466 1.00 0.00 H new ATOM 0 HH2 TRP A 104 -17.779 1.047 2.673 1.00 0.00 H new ATOM 1663 N GLU A 105 -13.949 1.281 -1.742 1.00 0.00 N ATOM 1664 CA GLU A 105 -14.771 2.483 -1.667 1.00 0.00 C ATOM 1665 C GLU A 105 -15.009 3.066 -3.057 1.00 0.00 C ATOM 1666 O GLU A 105 -16.152 3.217 -3.491 1.00 0.00 O ATOM 1667 CB GLU A 105 -14.104 3.528 -0.771 1.00 0.00 C ATOM 1668 CG GLU A 105 -14.439 3.370 0.702 1.00 0.00 C ATOM 1669 CD GLU A 105 -14.063 4.591 1.520 1.00 0.00 C ATOM 1670 OE1 GLU A 105 -12.865 4.940 1.546 1.00 0.00 O ATOM 1671 OE2 GLU A 105 -14.967 5.195 2.135 1.00 0.00 O ATOM 0 H GLU A 105 -13.155 1.272 -1.102 1.00 0.00 H new ATOM 0 HA GLU A 105 -15.734 2.208 -1.237 1.00 0.00 H new ATOM 0 HB2 GLU A 105 -13.023 3.466 -0.898 1.00 0.00 H new ATOM 0 HB3 GLU A 105 -14.407 4.522 -1.099 1.00 0.00 H new ATOM 0 HG2 GLU A 105 -15.507 3.180 0.810 1.00 0.00 H new ATOM 0 HG3 GLU A 105 -13.919 2.498 1.098 1.00 0.00 H new ATOM 1678 N PHE A 106 -13.924 3.393 -3.750 1.00 0.00 N ATOM 1679 CA PHE A 106 -14.014 3.962 -5.089 1.00 0.00 C ATOM 1680 C PHE A 106 -15.066 3.233 -5.920 1.00 0.00 C ATOM 1681 O PHE A 106 -15.863 3.857 -6.620 1.00 0.00 O ATOM 1682 CB PHE A 106 -12.655 3.889 -5.790 1.00 0.00 C ATOM 1683 CG PHE A 106 -12.747 3.972 -7.287 1.00 0.00 C ATOM 1684 CD1 PHE A 106 -12.771 5.201 -7.926 1.00 0.00 C ATOM 1685 CD2 PHE A 106 -12.811 2.821 -8.055 1.00 0.00 C ATOM 1686 CE1 PHE A 106 -12.855 5.281 -9.303 1.00 0.00 C ATOM 1687 CE2 PHE A 106 -12.895 2.894 -9.432 1.00 0.00 C ATOM 1688 CZ PHE A 106 -12.918 4.126 -10.057 1.00 0.00 C ATOM 0 H PHE A 106 -12.971 3.274 -3.406 1.00 0.00 H new ATOM 0 HA PHE A 106 -14.311 5.006 -4.993 1.00 0.00 H new ATOM 0 HB2 PHE A 106 -12.024 4.700 -5.427 1.00 0.00 H new ATOM 0 HB3 PHE A 106 -12.163 2.956 -5.515 1.00 0.00 H new ATOM 0 HD1 PHE A 106 -12.723 6.108 -7.341 1.00 0.00 H new ATOM 0 HD2 PHE A 106 -12.795 1.855 -7.572 1.00 0.00 H new ATOM 0 HE1 PHE A 106 -12.871 6.245 -9.789 1.00 0.00 H new ATOM 0 HE2 PHE A 106 -12.943 1.989 -10.019 1.00 0.00 H new ATOM 0 HZ PHE A 106 -12.985 4.185 -11.133 1.00 0.00 H new ATOM 1698 N HIS A 107 -15.062 1.906 -5.837 1.00 0.00 N ATOM 1699 CA HIS A 107 -16.016 1.090 -6.580 1.00 0.00 C ATOM 1700 C HIS A 107 -17.444 1.376 -6.127 1.00 0.00 C ATOM 1701 O HIS A 107 -18.340 1.563 -6.949 1.00 0.00 O ATOM 1702 CB HIS A 107 -15.699 -0.395 -6.399 1.00 0.00 C ATOM 1703 CG HIS A 107 -14.493 -0.847 -7.163 1.00 0.00 C ATOM 1704 ND1 HIS A 107 -14.465 -0.941 -8.539 1.00 0.00 N ATOM 1705 CD2 HIS A 107 -13.267 -1.231 -6.737 1.00 0.00 C ATOM 1706 CE1 HIS A 107 -13.275 -1.365 -8.925 1.00 0.00 C ATOM 1707 NE2 HIS A 107 -12.529 -1.548 -7.850 1.00 0.00 N ATOM 0 H HIS A 107 -14.409 1.373 -5.263 1.00 0.00 H new ATOM 0 HA HIS A 107 -15.930 1.346 -7.636 1.00 0.00 H new ATOM 0 HB2 HIS A 107 -15.545 -0.599 -5.339 1.00 0.00 H new ATOM 0 HB3 HIS A 107 -16.561 -0.983 -6.715 1.00 0.00 H new ATOM 0 HD1 HIS A 107 -15.242 -0.718 -9.161 1.00 0.00 H new ATOM 0 HD2 HIS A 107 -12.932 -1.279 -5.712 1.00 0.00 H new ATOM 0 HE1 HIS A 107 -12.965 -1.533 -9.946 1.00 0.00 H new ATOM 1716 N ASN A 108 -17.649 1.408 -4.814 1.00 0.00 N ATOM 1717 CA ASN A 108 -18.969 1.670 -4.252 1.00 0.00 C ATOM 1718 C ASN A 108 -19.427 3.089 -4.577 1.00 0.00 C ATOM 1719 O ASN A 108 -20.443 3.286 -5.243 1.00 0.00 O ATOM 1720 CB ASN A 108 -18.951 1.463 -2.736 1.00 0.00 C ATOM 1721 CG ASN A 108 -18.955 -0.004 -2.353 1.00 0.00 C ATOM 1722 OD1 ASN A 108 -17.928 -0.730 -2.779 1.00 0.00 O flip ATOM 1723 ND2 ASN A 108 -19.872 -0.479 -1.682 1.00 0.00 N flip ATOM 0 H ASN A 108 -16.918 1.256 -4.119 1.00 0.00 H new ATOM 0 HA ASN A 108 -19.673 0.968 -4.700 1.00 0.00 H new ATOM 0 HB2 ASN A 108 -18.066 1.943 -2.317 1.00 0.00 H new ATOM 0 HB3 ASN A 108 -19.819 1.953 -2.295 1.00 0.00 H new ATOM 0 HD21 ASN A 108 -20.642 0.116 -1.376 1.00 0.00 H new ATOM 0 HD22 ASN A 108 -19.862 -1.468 -1.432 1.00 0.00 H new ATOM 1730 N SER A 109 -18.669 4.073 -4.103 1.00 0.00 N ATOM 1731 CA SER A 109 -18.999 5.473 -4.341 1.00 0.00 C ATOM 1732 C SER A 109 -19.394 5.699 -5.797 1.00 0.00 C ATOM 1733 O SER A 109 -18.721 5.251 -6.726 1.00 0.00 O ATOM 1734 CB SER A 109 -17.811 6.367 -3.978 1.00 0.00 C ATOM 1735 OG SER A 109 -16.718 6.142 -4.851 1.00 0.00 O ATOM 0 H SER A 109 -17.823 3.926 -3.552 1.00 0.00 H new ATOM 0 HA SER A 109 -19.848 5.733 -3.709 1.00 0.00 H new ATOM 0 HB2 SER A 109 -18.111 7.414 -4.028 1.00 0.00 H new ATOM 0 HB3 SER A 109 -17.506 6.172 -2.950 1.00 0.00 H new ATOM 0 HG SER A 109 -16.789 5.245 -5.240 1.00 0.00 H new ATOM 1741 N PRO A 110 -20.511 6.411 -6.002 1.00 0.00 N ATOM 1742 CA PRO A 110 -21.022 6.714 -7.342 1.00 0.00 C ATOM 1743 C PRO A 110 -20.136 7.705 -8.090 1.00 0.00 C ATOM 1744 O PRO A 110 -19.387 8.478 -7.493 1.00 0.00 O ATOM 1745 CB PRO A 110 -22.397 7.328 -7.068 1.00 0.00 C ATOM 1746 CG PRO A 110 -22.294 7.889 -5.692 1.00 0.00 C ATOM 1747 CD PRO A 110 -21.362 6.977 -4.942 1.00 0.00 C ATOM 0 HA PRO A 110 -21.055 5.827 -7.975 1.00 0.00 H new ATOM 0 HB2 PRO A 110 -22.636 8.104 -7.795 1.00 0.00 H new ATOM 0 HB3 PRO A 110 -23.185 6.578 -7.132 1.00 0.00 H new ATOM 0 HG2 PRO A 110 -21.909 8.908 -5.714 1.00 0.00 H new ATOM 0 HG3 PRO A 110 -23.272 7.928 -5.212 1.00 0.00 H new ATOM 0 HD2 PRO A 110 -20.774 7.522 -4.203 1.00 0.00 H new ATOM 0 HD3 PRO A 110 -21.906 6.200 -4.406 1.00 0.00 H new ATOM 1755 N PRO A 111 -20.222 7.683 -9.429 1.00 0.00 N ATOM 1756 CA PRO A 111 -19.436 8.575 -10.287 1.00 0.00 C ATOM 1757 C PRO A 111 -19.888 10.027 -10.183 1.00 0.00 C ATOM 1758 O PRO A 111 -21.073 10.307 -10.003 1.00 0.00 O ATOM 1759 CB PRO A 111 -19.696 8.033 -11.694 1.00 0.00 C ATOM 1760 CG PRO A 111 -21.018 7.352 -11.599 1.00 0.00 C ATOM 1761 CD PRO A 111 -21.094 6.788 -10.207 1.00 0.00 C ATOM 0 HA PRO A 111 -18.383 8.586 -10.007 1.00 0.00 H new ATOM 0 HB2 PRO A 111 -19.717 8.836 -12.430 1.00 0.00 H new ATOM 0 HB3 PRO A 111 -18.914 7.339 -12.002 1.00 0.00 H new ATOM 0 HG2 PRO A 111 -21.832 8.053 -11.781 1.00 0.00 H new ATOM 0 HG3 PRO A 111 -21.105 6.562 -12.345 1.00 0.00 H new ATOM 0 HD2 PRO A 111 -22.116 6.792 -9.827 1.00 0.00 H new ATOM 0 HD3 PRO A 111 -20.745 5.756 -10.172 1.00 0.00 H new ATOM 1769 N ALA A 112 -18.937 10.948 -10.298 1.00 0.00 N ATOM 1770 CA ALA A 112 -19.238 12.372 -10.220 1.00 0.00 C ATOM 1771 C ALA A 112 -19.937 12.856 -11.486 1.00 0.00 C ATOM 1772 O ALA A 112 -19.696 12.358 -12.586 1.00 0.00 O ATOM 1773 CB ALA A 112 -17.965 13.169 -9.981 1.00 0.00 C ATOM 0 H ALA A 112 -17.951 10.733 -10.446 1.00 0.00 H new ATOM 0 HA ALA A 112 -19.915 12.529 -9.380 1.00 0.00 H new ATOM 0 HB1 ALA A 112 -18.206 14.231 -9.925 1.00 0.00 H new ATOM 0 HB2 ALA A 112 -17.507 12.851 -9.044 1.00 0.00 H new ATOM 0 HB3 ALA A 112 -17.269 12.998 -10.802 1.00 0.00 H new ATOM 1779 N PRO A 113 -20.825 13.848 -11.330 1.00 0.00 N ATOM 1780 CA PRO A 113 -21.578 14.421 -12.451 1.00 0.00 C ATOM 1781 C PRO A 113 -20.691 15.230 -13.391 1.00 0.00 C ATOM 1782 O PRO A 113 -19.487 15.354 -13.170 1.00 0.00 O ATOM 1783 CB PRO A 113 -22.599 15.331 -11.764 1.00 0.00 C ATOM 1784 CG PRO A 113 -21.973 15.688 -10.460 1.00 0.00 C ATOM 1785 CD PRO A 113 -21.163 14.489 -10.048 1.00 0.00 C ATOM 0 HA PRO A 113 -22.027 13.650 -13.077 1.00 0.00 H new ATOM 0 HB2 PRO A 113 -22.802 16.220 -12.362 1.00 0.00 H new ATOM 0 HB3 PRO A 113 -23.551 14.820 -11.619 1.00 0.00 H new ATOM 0 HG2 PRO A 113 -21.341 16.571 -10.559 1.00 0.00 H new ATOM 0 HG3 PRO A 113 -22.732 15.922 -9.713 1.00 0.00 H new ATOM 0 HD2 PRO A 113 -20.269 14.779 -9.496 1.00 0.00 H new ATOM 0 HD3 PRO A 113 -21.734 13.821 -9.403 1.00 0.00 H new ATOM 1793 N SER A 114 -21.295 15.778 -14.441 1.00 0.00 N ATOM 1794 CA SER A 114 -20.559 16.573 -15.417 1.00 0.00 C ATOM 1795 C SER A 114 -20.434 18.021 -14.955 1.00 0.00 C ATOM 1796 O SER A 114 -19.339 18.580 -14.915 1.00 0.00 O ATOM 1797 CB SER A 114 -21.254 16.518 -16.779 1.00 0.00 C ATOM 1798 OG SER A 114 -21.073 15.254 -17.393 1.00 0.00 O ATOM 0 H SER A 114 -22.292 15.686 -14.637 1.00 0.00 H new ATOM 0 HA SER A 114 -19.558 16.152 -15.511 1.00 0.00 H new ATOM 0 HB2 SER A 114 -22.319 16.717 -16.656 1.00 0.00 H new ATOM 0 HB3 SER A 114 -20.856 17.300 -17.426 1.00 0.00 H new ATOM 0 HG SER A 114 -21.528 15.244 -18.261 1.00 0.00 H new ATOM 1804 N GLY A 115 -21.567 18.625 -14.606 1.00 0.00 N ATOM 1805 CA GLY A 115 -21.563 20.003 -14.152 1.00 0.00 C ATOM 1806 C GLY A 115 -20.731 20.905 -15.041 1.00 0.00 C ATOM 1807 O GLY A 115 -19.567 21.189 -14.758 1.00 0.00 O ATOM 0 H GLY A 115 -22.487 18.184 -14.630 1.00 0.00 H new ATOM 0 HA2 GLY A 115 -22.587 20.374 -14.120 1.00 0.00 H new ATOM 0 HA3 GLY A 115 -21.177 20.045 -13.134 1.00 0.00 H new ATOM 1811 N PRO A 116 -21.331 21.371 -16.147 1.00 0.00 N ATOM 1812 CA PRO A 116 -20.655 22.251 -17.103 1.00 0.00 C ATOM 1813 C PRO A 116 -20.406 23.644 -16.534 1.00 0.00 C ATOM 1814 O PRO A 116 -19.291 24.160 -16.596 1.00 0.00 O ATOM 1815 CB PRO A 116 -21.637 22.321 -18.276 1.00 0.00 C ATOM 1816 CG PRO A 116 -22.969 22.038 -17.672 1.00 0.00 C ATOM 1817 CD PRO A 116 -22.717 21.073 -16.547 1.00 0.00 C ATOM 0 HA PRO A 116 -19.669 21.875 -17.376 1.00 0.00 H new ATOM 0 HB2 PRO A 116 -21.618 23.302 -18.750 1.00 0.00 H new ATOM 0 HB3 PRO A 116 -21.388 21.590 -19.045 1.00 0.00 H new ATOM 0 HG2 PRO A 116 -23.433 22.953 -17.304 1.00 0.00 H new ATOM 0 HG3 PRO A 116 -23.649 21.610 -18.409 1.00 0.00 H new ATOM 0 HD2 PRO A 116 -23.415 21.225 -15.723 1.00 0.00 H new ATOM 0 HD3 PRO A 116 -22.828 20.039 -16.872 1.00 0.00 H new ATOM 1825 N SER A 117 -21.453 24.247 -15.978 1.00 0.00 N ATOM 1826 CA SER A 117 -21.348 25.581 -15.400 1.00 0.00 C ATOM 1827 C SER A 117 -20.190 25.655 -14.410 1.00 0.00 C ATOM 1828 O SER A 117 -19.839 24.661 -13.774 1.00 0.00 O ATOM 1829 CB SER A 117 -22.655 25.963 -14.704 1.00 0.00 C ATOM 1830 OG SER A 117 -22.677 27.342 -14.380 1.00 0.00 O ATOM 0 H SER A 117 -22.383 23.832 -15.916 1.00 0.00 H new ATOM 0 HA SER A 117 -21.157 26.286 -16.209 1.00 0.00 H new ATOM 0 HB2 SER A 117 -23.499 25.725 -15.352 1.00 0.00 H new ATOM 0 HB3 SER A 117 -22.774 25.371 -13.796 1.00 0.00 H new ATOM 0 HG SER A 117 -23.524 27.561 -13.938 1.00 0.00 H new ATOM 1836 N SER A 118 -19.601 26.840 -14.284 1.00 0.00 N ATOM 1837 CA SER A 118 -18.480 27.043 -13.374 1.00 0.00 C ATOM 1838 C SER A 118 -18.238 28.531 -13.135 1.00 0.00 C ATOM 1839 O SER A 118 -17.937 29.280 -14.063 1.00 0.00 O ATOM 1840 CB SER A 118 -17.214 26.394 -13.937 1.00 0.00 C ATOM 1841 OG SER A 118 -16.204 26.303 -12.947 1.00 0.00 O ATOM 0 H SER A 118 -19.881 27.674 -14.800 1.00 0.00 H new ATOM 0 HA SER A 118 -18.728 26.574 -12.422 1.00 0.00 H new ATOM 0 HB2 SER A 118 -17.449 25.399 -14.314 1.00 0.00 H new ATOM 0 HB3 SER A 118 -16.848 26.977 -14.782 1.00 0.00 H new ATOM 0 HG SER A 118 -15.406 25.883 -13.331 1.00 0.00 H new ATOM 1847 N GLY A 119 -18.372 28.951 -11.880 1.00 0.00 N ATOM 1848 CA GLY A 119 -18.166 30.347 -11.540 1.00 0.00 C ATOM 1849 C GLY A 119 -19.141 31.267 -12.247 1.00 0.00 C ATOM 1850 O GLY A 119 -19.594 30.970 -13.352 1.00 0.00 O ATOM 0 H GLY A 119 -18.619 28.350 -11.094 1.00 0.00 H new ATOM 0 HA2 GLY A 119 -18.268 30.474 -10.462 1.00 0.00 H new ATOM 0 HA3 GLY A 119 -17.147 30.634 -11.800 1.00 0.00 H new TER 1854 GLY A 119