USER MOD reduce.3.24.130724 H: found=0, std=0, add=997, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 994 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 119 SER OG : rot 133:sc= 1.42 USER MOD Set 1.2: A 121 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 73 HIS : no HE2:sc= -2! C(o=-1.1!,f=-7.5!) USER MOD Set 2.2: A 85 SER OG : rot -125:sc= 0.873 USER MOD Single : A 4 TYR OH : rot 180:sc= 0 USER MOD Single : A 5 THR OG1 : rot 147:sc= -2.93! USER MOD Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 8 ASN : amide:sc= -0.0489 K(o=-0.049,f=-1.7!) USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 ASN : amide:sc= -0.03 K(o=-0.03,f=-2.2!) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 GLN : amide:sc= 0 K(o=0,f=-1.5!) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 CYS SG : rot 180:sc= -1.43 USER MOD Single : A 53 THR OG1 : rot 57:sc= -3.48! USER MOD Single : A 55 LYS NZ :NH3+ -166:sc= -0.746 (180deg=-0.828) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 TYR OH : rot 177:sc= 1.13 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 HIS :FLIP no HD1:sc= -2.94 F(o=-4.8!,f=-2.9) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 ASN :FLIP amide:sc= -0.0256 F(o=-0.85,f=-0.026) USER MOD Single : A 80 HIS : no HE2:sc= -3.14! C(o=-3.1!,f=-3.7!) USER MOD Single : A 81 THR OG1 : rot 52:sc= 0.351 USER MOD Single : A 82 TYR OH : rot 150:sc= -5.52! USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 84 TYR OH : rot 107:sc= 0.925 USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 95 ASN : amide:sc= -0.353 X(o=-0.35,f=-0.0042) USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 TYR OH : rot 15:sc= -0.237 USER MOD Single : A 103 THR OG1 : rot 180:sc= 0 USER MOD Single : A 104 LYS NZ :NH3+ -138:sc=-0.00306 (180deg=-0.137) USER MOD Single : A 107 SER OG : rot 180:sc= 0 USER MOD Single : A 110 HIS : no HD1:sc= 0 X(o=0,f=-0.0013) USER MOD Single : A 113 THR OG1 : rot 115:sc= -1.68! USER MOD Single : A 116 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 117 THR OG1 : rot 180:sc= 0 USER MOD Single : A 118 THR OG1 : rot 180:sc= 0 USER MOD Single : A 120 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 122 HIS : no HE2:sc= 0.287 K(o=0.29,f=-1) USER MOD Single : A 123 THR OG1 : rot 180:sc= 0 USER MOD Single : A 143 HIS : no HD1:sc= -1.14 K(o=-1.1,f=-2!) USER MOD Single : A 146 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 151 TYR OH : rot 30:sc= -1.34 USER MOD ----------------------------------------------------------------- ATOM 8 N VAL A 3 -8.146 -0.924 17.884 1.00 0.00 N ATOM 9 CA VAL A 3 -7.025 -1.411 17.032 1.00 0.00 C ATOM 10 C VAL A 3 -6.074 -0.253 16.730 1.00 0.00 C ATOM 11 O VAL A 3 -6.494 0.842 16.414 1.00 0.00 O ATOM 12 CB VAL A 3 -7.586 -1.967 15.721 1.00 0.00 C ATOM 13 CG1 VAL A 3 -6.430 -2.314 14.780 1.00 0.00 C ATOM 14 CG2 VAL A 3 -8.405 -3.226 16.009 1.00 0.00 C ATOM 0 HA VAL A 3 -6.483 -2.197 17.558 1.00 0.00 H new ATOM 0 HB VAL A 3 -8.225 -1.219 15.252 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -6.828 -2.710 13.846 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -5.846 -1.417 14.574 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -5.791 -3.063 15.249 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -8.804 -3.622 15.075 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -7.767 -3.976 16.478 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -9.228 -2.979 16.680 1.00 0.00 H new ATOM 24 N TYR A 4 -4.793 -0.485 16.821 1.00 0.00 N ATOM 25 CA TYR A 4 -3.816 0.603 16.537 1.00 0.00 C ATOM 26 C TYR A 4 -2.992 0.237 15.300 1.00 0.00 C ATOM 27 O TYR A 4 -2.557 -0.886 15.142 1.00 0.00 O ATOM 28 CB TYR A 4 -2.883 0.777 17.737 1.00 0.00 C ATOM 29 CG TYR A 4 -3.692 1.159 18.954 1.00 0.00 C ATOM 30 CD1 TYR A 4 -4.057 2.494 19.161 1.00 0.00 C ATOM 31 CD2 TYR A 4 -4.079 0.177 19.873 1.00 0.00 C ATOM 32 CE1 TYR A 4 -4.807 2.848 20.288 1.00 0.00 C ATOM 33 CE2 TYR A 4 -4.829 0.530 21.001 1.00 0.00 C ATOM 34 CZ TYR A 4 -5.193 1.866 21.208 1.00 0.00 C ATOM 35 OH TYR A 4 -5.933 2.215 22.320 1.00 0.00 O ATOM 0 H TYR A 4 -4.381 -1.381 17.080 1.00 0.00 H new ATOM 0 HA TYR A 4 -4.352 1.535 16.355 1.00 0.00 H new ATOM 0 HB2 TYR A 4 -2.339 -0.149 17.925 1.00 0.00 H new ATOM 0 HB3 TYR A 4 -2.140 1.546 17.525 1.00 0.00 H new ATOM 0 HD1 TYR A 4 -3.760 3.251 18.451 1.00 0.00 H new ATOM 0 HD2 TYR A 4 -3.799 -0.854 19.712 1.00 0.00 H new ATOM 0 HE1 TYR A 4 -5.088 3.878 20.448 1.00 0.00 H new ATOM 0 HE2 TYR A 4 -5.127 -0.228 21.711 1.00 0.00 H new ATOM 0 HH TYR A 4 -6.118 1.415 22.854 1.00 0.00 H new ATOM 45 N THR A 5 -2.776 1.177 14.420 1.00 0.00 N ATOM 46 CA THR A 5 -1.982 0.881 13.195 1.00 0.00 C ATOM 47 C THR A 5 -0.558 1.415 13.370 1.00 0.00 C ATOM 48 O THR A 5 -0.351 2.516 13.839 1.00 0.00 O ATOM 49 CB THR A 5 -2.635 1.557 11.988 1.00 0.00 C ATOM 50 OG1 THR A 5 -4.005 1.190 11.925 1.00 0.00 O ATOM 51 CG2 THR A 5 -1.926 1.113 10.706 1.00 0.00 C ATOM 0 H THR A 5 -3.115 2.136 14.497 1.00 0.00 H new ATOM 0 HA THR A 5 -1.950 -0.197 13.034 1.00 0.00 H new ATOM 0 HB THR A 5 -2.553 2.639 12.089 1.00 0.00 H new ATOM 0 HG1 THR A 5 -4.527 1.936 11.562 1.00 0.00 H new ATOM 0 HG21 THR A 5 -2.392 1.595 9.847 1.00 0.00 H new ATOM 0 HG22 THR A 5 -0.875 1.396 10.755 1.00 0.00 H new ATOM 0 HG23 THR A 5 -2.006 0.031 10.602 1.00 0.00 H new ATOM 59 N TYR A 6 0.425 0.642 12.996 1.00 0.00 N ATOM 60 CA TYR A 6 1.834 1.108 13.141 1.00 0.00 C ATOM 61 C TYR A 6 2.496 1.169 11.764 1.00 0.00 C ATOM 62 O TYR A 6 2.308 0.301 10.935 1.00 0.00 O ATOM 63 CB TYR A 6 2.605 0.134 14.035 1.00 0.00 C ATOM 64 CG TYR A 6 1.946 0.068 15.392 1.00 0.00 C ATOM 65 CD1 TYR A 6 2.171 1.084 16.329 1.00 0.00 C ATOM 66 CD2 TYR A 6 1.110 -1.007 15.714 1.00 0.00 C ATOM 67 CE1 TYR A 6 1.562 1.023 17.588 1.00 0.00 C ATOM 68 CE2 TYR A 6 0.500 -1.069 16.972 1.00 0.00 C ATOM 69 CZ TYR A 6 0.726 -0.053 17.909 1.00 0.00 C ATOM 70 OH TYR A 6 0.124 -0.113 19.150 1.00 0.00 O ATOM 0 H TYR A 6 0.314 -0.290 12.597 1.00 0.00 H new ATOM 0 HA TYR A 6 1.843 2.100 13.592 1.00 0.00 H new ATOM 0 HB2 TYR A 6 2.625 -0.856 13.580 1.00 0.00 H new ATOM 0 HB3 TYR A 6 3.640 0.459 14.137 1.00 0.00 H new ATOM 0 HD1 TYR A 6 2.815 1.915 16.080 1.00 0.00 H new ATOM 0 HD2 TYR A 6 0.935 -1.790 14.991 1.00 0.00 H new ATOM 0 HE1 TYR A 6 1.737 1.806 18.311 1.00 0.00 H new ATOM 0 HE2 TYR A 6 -0.144 -1.899 17.220 1.00 0.00 H new ATOM 0 HH TYR A 6 -0.424 -0.923 19.209 1.00 0.00 H new ATOM 80 N GLU A 7 3.271 2.188 11.513 1.00 0.00 N ATOM 81 CA GLU A 7 3.944 2.305 10.189 1.00 0.00 C ATOM 82 C GLU A 7 5.457 2.170 10.374 1.00 0.00 C ATOM 83 O GLU A 7 6.037 2.751 11.270 1.00 0.00 O ATOM 84 CB GLU A 7 3.625 3.667 9.572 1.00 0.00 C ATOM 85 CG GLU A 7 4.255 3.758 8.180 1.00 0.00 C ATOM 86 CD GLU A 7 4.014 5.153 7.602 1.00 0.00 C ATOM 87 OE1 GLU A 7 3.442 5.973 8.301 1.00 0.00 O ATOM 88 OE2 GLU A 7 4.407 5.379 6.468 1.00 0.00 O ATOM 0 H GLU A 7 3.467 2.945 12.168 1.00 0.00 H new ATOM 0 HA GLU A 7 3.586 1.516 9.528 1.00 0.00 H new ATOM 0 HB2 GLU A 7 2.546 3.803 9.504 1.00 0.00 H new ATOM 0 HB3 GLU A 7 4.007 4.465 10.209 1.00 0.00 H new ATOM 0 HG2 GLU A 7 5.325 3.557 8.239 1.00 0.00 H new ATOM 0 HG3 GLU A 7 3.824 3.001 7.524 1.00 0.00 H new ATOM 95 N ASN A 8 6.102 1.408 9.533 1.00 0.00 N ATOM 96 CA ASN A 8 7.576 1.237 9.663 1.00 0.00 C ATOM 97 C ASN A 8 8.259 1.704 8.375 1.00 0.00 C ATOM 98 O ASN A 8 7.839 1.376 7.283 1.00 0.00 O ATOM 99 CB ASN A 8 7.900 -0.239 9.905 1.00 0.00 C ATOM 100 CG ASN A 8 9.357 -0.375 10.351 1.00 0.00 C ATOM 101 OD1 ASN A 8 9.902 0.518 10.969 1.00 0.00 O ATOM 102 ND2 ASN A 8 10.017 -1.463 10.059 1.00 0.00 N ATOM 0 H ASN A 8 5.672 0.897 8.762 1.00 0.00 H new ATOM 0 HA ASN A 8 7.937 1.831 10.503 1.00 0.00 H new ATOM 0 HB2 ASN A 8 7.236 -0.648 10.666 1.00 0.00 H new ATOM 0 HB3 ASN A 8 7.732 -0.813 8.994 1.00 0.00 H new ATOM 0 HD21 ASN A 8 10.990 -1.563 10.350 1.00 0.00 H new ATOM 0 HD22 ASN A 8 9.560 -2.213 9.540 1.00 0.00 H new ATOM 109 N GLU A 9 9.309 2.470 8.494 1.00 0.00 N ATOM 110 CA GLU A 9 10.017 2.958 7.277 1.00 0.00 C ATOM 111 C GLU A 9 11.418 2.345 7.222 1.00 0.00 C ATOM 112 O GLU A 9 12.182 2.432 8.163 1.00 0.00 O ATOM 113 CB GLU A 9 10.129 4.483 7.331 1.00 0.00 C ATOM 114 CG GLU A 9 8.728 5.094 7.407 1.00 0.00 C ATOM 115 CD GLU A 9 8.837 6.621 7.415 1.00 0.00 C ATOM 116 OE1 GLU A 9 9.944 7.115 7.555 1.00 0.00 O ATOM 117 OE2 GLU A 9 7.813 7.269 7.279 1.00 0.00 O ATOM 0 H GLU A 9 9.707 2.779 9.381 1.00 0.00 H new ATOM 0 HA GLU A 9 9.458 2.665 6.388 1.00 0.00 H new ATOM 0 HB2 GLU A 9 10.717 4.785 8.198 1.00 0.00 H new ATOM 0 HB3 GLU A 9 10.651 4.852 6.448 1.00 0.00 H new ATOM 0 HG2 GLU A 9 8.130 4.766 6.557 1.00 0.00 H new ATOM 0 HG3 GLU A 9 8.218 4.750 8.307 1.00 0.00 H new ATOM 124 N PHE A 10 11.763 1.726 6.126 1.00 0.00 N ATOM 125 CA PHE A 10 13.115 1.109 6.013 1.00 0.00 C ATOM 126 C PHE A 10 13.638 1.284 4.585 1.00 0.00 C ATOM 127 O PHE A 10 12.920 1.096 3.624 1.00 0.00 O ATOM 128 CB PHE A 10 13.025 -0.383 6.342 1.00 0.00 C ATOM 129 CG PHE A 10 14.386 -1.016 6.175 1.00 0.00 C ATOM 130 CD1 PHE A 10 15.273 -1.067 7.257 1.00 0.00 C ATOM 131 CD2 PHE A 10 14.762 -1.553 4.936 1.00 0.00 C ATOM 132 CE1 PHE A 10 16.535 -1.654 7.101 1.00 0.00 C ATOM 133 CE2 PHE A 10 16.024 -2.139 4.781 1.00 0.00 C ATOM 134 CZ PHE A 10 16.909 -2.191 5.864 1.00 0.00 C ATOM 0 H PHE A 10 11.168 1.621 5.305 1.00 0.00 H new ATOM 0 HA PHE A 10 13.795 1.595 6.712 1.00 0.00 H new ATOM 0 HB2 PHE A 10 12.670 -0.521 7.363 1.00 0.00 H new ATOM 0 HB3 PHE A 10 12.303 -0.869 5.686 1.00 0.00 H new ATOM 0 HD1 PHE A 10 14.984 -0.654 8.212 1.00 0.00 H new ATOM 0 HD2 PHE A 10 14.078 -1.515 4.101 1.00 0.00 H new ATOM 0 HE1 PHE A 10 17.220 -1.692 7.935 1.00 0.00 H new ATOM 0 HE2 PHE A 10 16.315 -2.551 3.826 1.00 0.00 H new ATOM 0 HZ PHE A 10 17.881 -2.646 5.745 1.00 0.00 H new ATOM 144 N THR A 11 14.884 1.641 4.441 1.00 0.00 N ATOM 145 CA THR A 11 15.453 1.827 3.077 1.00 0.00 C ATOM 146 C THR A 11 16.327 0.623 2.722 1.00 0.00 C ATOM 147 O THR A 11 16.883 -0.028 3.583 1.00 0.00 O ATOM 148 CB THR A 11 16.302 3.101 3.048 1.00 0.00 C ATOM 149 OG1 THR A 11 17.550 2.850 3.679 1.00 0.00 O ATOM 150 CG2 THR A 11 15.571 4.222 3.788 1.00 0.00 C ATOM 0 H THR A 11 15.533 1.812 5.209 1.00 0.00 H new ATOM 0 HA THR A 11 14.643 1.914 2.353 1.00 0.00 H new ATOM 0 HB THR A 11 16.470 3.402 2.014 1.00 0.00 H new ATOM 0 HG1 THR A 11 18.096 3.664 3.660 1.00 0.00 H new ATOM 0 HG21 THR A 11 16.177 5.128 3.766 1.00 0.00 H new ATOM 0 HG22 THR A 11 14.614 4.414 3.303 1.00 0.00 H new ATOM 0 HG23 THR A 11 15.401 3.924 4.823 1.00 0.00 H new ATOM 158 N SER A 12 16.451 0.320 1.459 1.00 0.00 N ATOM 159 CA SER A 12 17.289 -0.843 1.052 1.00 0.00 C ATOM 160 C SER A 12 17.799 -0.630 -0.376 1.00 0.00 C ATOM 161 O SER A 12 17.388 0.283 -1.062 1.00 0.00 O ATOM 162 CB SER A 12 16.449 -2.121 1.108 1.00 0.00 C ATOM 163 OG SER A 12 15.551 -2.146 0.008 1.00 0.00 O ATOM 0 H SER A 12 16.009 0.827 0.692 1.00 0.00 H new ATOM 0 HA SER A 12 18.137 -0.935 1.731 1.00 0.00 H new ATOM 0 HB2 SER A 12 17.098 -2.997 1.082 1.00 0.00 H new ATOM 0 HB3 SER A 12 15.894 -2.163 2.045 1.00 0.00 H new ATOM 0 HG SER A 12 15.014 -2.965 0.043 1.00 0.00 H new ATOM 169 N ASP A 13 18.692 -1.467 -0.826 1.00 0.00 N ATOM 170 CA ASP A 13 19.230 -1.315 -2.207 1.00 0.00 C ATOM 171 C ASP A 13 18.153 -1.710 -3.220 1.00 0.00 C ATOM 172 O ASP A 13 17.069 -2.124 -2.858 1.00 0.00 O ATOM 173 CB ASP A 13 20.452 -2.219 -2.381 1.00 0.00 C ATOM 174 CG ASP A 13 21.288 -1.726 -3.563 1.00 0.00 C ATOM 175 OD1 ASP A 13 20.980 -0.665 -4.079 1.00 0.00 O ATOM 176 OD2 ASP A 13 22.222 -2.418 -3.931 1.00 0.00 O ATOM 0 H ASP A 13 19.073 -2.251 -0.296 1.00 0.00 H new ATOM 0 HA ASP A 13 19.520 -0.277 -2.372 1.00 0.00 H new ATOM 0 HB2 ASP A 13 21.052 -2.216 -1.471 1.00 0.00 H new ATOM 0 HB3 ASP A 13 20.135 -3.248 -2.550 1.00 0.00 H new ATOM 181 N ILE A 14 18.442 -1.588 -4.487 1.00 0.00 N ATOM 182 CA ILE A 14 17.434 -1.958 -5.520 1.00 0.00 C ATOM 183 C ILE A 14 16.287 -0.945 -5.497 1.00 0.00 C ATOM 184 O ILE A 14 15.804 -0.566 -4.449 1.00 0.00 O ATOM 185 CB ILE A 14 16.887 -3.355 -5.220 1.00 0.00 C ATOM 186 CG1 ILE A 14 18.034 -4.273 -4.797 1.00 0.00 C ATOM 187 CG2 ILE A 14 16.218 -3.920 -6.475 1.00 0.00 C ATOM 188 CD1 ILE A 14 17.760 -4.818 -3.394 1.00 0.00 C ATOM 0 H ILE A 14 19.332 -1.248 -4.851 1.00 0.00 H new ATOM 0 HA ILE A 14 17.902 -1.955 -6.504 1.00 0.00 H new ATOM 0 HB ILE A 14 16.156 -3.293 -4.414 1.00 0.00 H new ATOM 0 HG12 ILE A 14 18.136 -5.096 -5.505 1.00 0.00 H new ATOM 0 HG13 ILE A 14 18.976 -3.725 -4.808 1.00 0.00 H new ATOM 0 HG21 ILE A 14 15.828 -4.915 -6.263 1.00 0.00 H new ATOM 0 HG22 ILE A 14 15.400 -3.266 -6.777 1.00 0.00 H new ATOM 0 HG23 ILE A 14 16.949 -3.981 -7.281 1.00 0.00 H new ATOM 0 HD11 ILE A 14 18.577 -5.473 -3.092 1.00 0.00 H new ATOM 0 HD12 ILE A 14 17.680 -3.989 -2.691 1.00 0.00 H new ATOM 0 HD13 ILE A 14 16.827 -5.381 -3.398 1.00 0.00 H new ATOM 200 N PRO A 15 15.846 -0.500 -6.682 1.00 0.00 N ATOM 201 CA PRO A 15 14.754 0.472 -6.803 1.00 0.00 C ATOM 202 C PRO A 15 13.402 -0.132 -6.405 1.00 0.00 C ATOM 203 O PRO A 15 13.171 -1.317 -6.546 1.00 0.00 O ATOM 204 CB PRO A 15 14.759 0.835 -8.289 1.00 0.00 C ATOM 205 CG PRO A 15 15.374 -0.343 -8.963 1.00 0.00 C ATOM 206 CD PRO A 15 16.377 -0.907 -7.995 1.00 0.00 C ATOM 0 HA PRO A 15 14.894 1.329 -6.144 1.00 0.00 H new ATOM 0 HB2 PRO A 15 13.749 1.018 -8.655 1.00 0.00 H new ATOM 0 HB3 PRO A 15 15.335 1.742 -8.473 1.00 0.00 H new ATOM 0 HG2 PRO A 15 14.617 -1.086 -9.215 1.00 0.00 H new ATOM 0 HG3 PRO A 15 15.856 -0.050 -9.896 1.00 0.00 H new ATOM 0 HD2 PRO A 15 16.453 -1.991 -8.080 1.00 0.00 H new ATOM 0 HD3 PRO A 15 17.375 -0.503 -8.168 1.00 0.00 H new ATOM 214 N ALA A 16 12.515 0.680 -5.898 1.00 0.00 N ATOM 215 CA ALA A 16 11.175 0.180 -5.473 1.00 0.00 C ATOM 216 C ALA A 16 10.642 -0.878 -6.449 1.00 0.00 C ATOM 217 O ALA A 16 10.243 -1.950 -6.042 1.00 0.00 O ATOM 218 CB ALA A 16 10.194 1.354 -5.421 1.00 0.00 C ATOM 0 H ALA A 16 12.663 1.680 -5.758 1.00 0.00 H new ATOM 0 HA ALA A 16 11.275 -0.278 -4.489 1.00 0.00 H new ATOM 0 HB1 ALA A 16 9.213 0.995 -5.111 1.00 0.00 H new ATOM 0 HB2 ALA A 16 10.551 2.095 -4.706 1.00 0.00 H new ATOM 0 HB3 ALA A 16 10.118 1.809 -6.409 1.00 0.00 H new ATOM 224 N PRO A 17 10.613 -0.570 -7.758 1.00 0.00 N ATOM 225 CA PRO A 17 10.100 -1.501 -8.777 1.00 0.00 C ATOM 226 C PRO A 17 10.940 -2.779 -8.900 1.00 0.00 C ATOM 227 O PRO A 17 10.415 -3.874 -8.871 1.00 0.00 O ATOM 228 CB PRO A 17 10.170 -0.689 -10.070 1.00 0.00 C ATOM 229 CG PRO A 17 11.221 0.334 -9.809 1.00 0.00 C ATOM 230 CD PRO A 17 11.076 0.695 -8.359 1.00 0.00 C ATOM 0 HA PRO A 17 9.099 -1.852 -8.528 1.00 0.00 H new ATOM 0 HB2 PRO A 17 10.431 -1.318 -10.921 1.00 0.00 H new ATOM 0 HB3 PRO A 17 9.211 -0.224 -10.300 1.00 0.00 H new ATOM 0 HG2 PRO A 17 12.215 -0.062 -10.018 1.00 0.00 H new ATOM 0 HG3 PRO A 17 11.086 1.208 -10.447 1.00 0.00 H new ATOM 0 HD2 PRO A 17 12.020 1.027 -7.927 1.00 0.00 H new ATOM 0 HD3 PRO A 17 10.357 1.501 -8.212 1.00 0.00 H new ATOM 238 N LYS A 18 12.232 -2.661 -9.038 1.00 0.00 N ATOM 239 CA LYS A 18 13.070 -3.888 -9.163 1.00 0.00 C ATOM 240 C LYS A 18 12.894 -4.755 -7.916 1.00 0.00 C ATOM 241 O LYS A 18 12.896 -5.968 -7.987 1.00 0.00 O ATOM 242 CB LYS A 18 14.542 -3.500 -9.309 1.00 0.00 C ATOM 243 CG LYS A 18 14.770 -2.887 -10.692 1.00 0.00 C ATOM 244 CD LYS A 18 16.259 -2.591 -10.881 1.00 0.00 C ATOM 245 CE LYS A 18 16.460 -1.800 -12.174 1.00 0.00 C ATOM 246 NZ LYS A 18 17.889 -1.394 -12.292 1.00 0.00 N ATOM 0 H LYS A 18 12.740 -1.777 -9.070 1.00 0.00 H new ATOM 0 HA LYS A 18 12.757 -4.447 -10.045 1.00 0.00 H new ATOM 0 HB2 LYS A 18 14.821 -2.787 -8.533 1.00 0.00 H new ATOM 0 HB3 LYS A 18 15.176 -4.377 -9.179 1.00 0.00 H new ATOM 0 HG2 LYS A 18 14.423 -3.571 -11.466 1.00 0.00 H new ATOM 0 HG3 LYS A 18 14.190 -1.970 -10.795 1.00 0.00 H new ATOM 0 HD2 LYS A 18 16.639 -2.023 -10.032 1.00 0.00 H new ATOM 0 HD3 LYS A 18 16.824 -3.522 -10.920 1.00 0.00 H new ATOM 0 HE2 LYS A 18 16.171 -2.407 -13.032 1.00 0.00 H new ATOM 0 HE3 LYS A 18 15.819 -0.918 -12.177 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 18.026 -0.856 -13.171 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 18.149 -0.800 -11.479 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 18.491 -2.242 -12.308 1.00 0.00 H new ATOM 260 N LEU A 19 12.738 -4.145 -6.773 1.00 0.00 N ATOM 261 CA LEU A 19 12.559 -4.937 -5.526 1.00 0.00 C ATOM 262 C LEU A 19 11.105 -5.403 -5.425 1.00 0.00 C ATOM 263 O LEU A 19 10.818 -6.469 -4.917 1.00 0.00 O ATOM 264 CB LEU A 19 12.901 -4.067 -4.315 1.00 0.00 C ATOM 265 CG LEU A 19 12.885 -4.926 -3.050 1.00 0.00 C ATOM 266 CD1 LEU A 19 13.720 -6.186 -3.278 1.00 0.00 C ATOM 267 CD2 LEU A 19 13.473 -4.128 -1.884 1.00 0.00 C ATOM 0 H LEU A 19 12.727 -3.133 -6.650 1.00 0.00 H new ATOM 0 HA LEU A 19 13.219 -5.804 -5.547 1.00 0.00 H new ATOM 0 HB2 LEU A 19 13.883 -3.612 -4.446 1.00 0.00 H new ATOM 0 HB3 LEU A 19 12.182 -3.253 -4.224 1.00 0.00 H new ATOM 0 HG LEU A 19 11.859 -5.208 -2.816 1.00 0.00 H new ATOM 0 HD11 LEU A 19 13.709 -6.798 -2.376 1.00 0.00 H new ATOM 0 HD12 LEU A 19 13.301 -6.755 -4.108 1.00 0.00 H new ATOM 0 HD13 LEU A 19 14.747 -5.905 -3.512 1.00 0.00 H new ATOM 0 HD21 LEU A 19 13.462 -4.740 -0.982 1.00 0.00 H new ATOM 0 HD22 LEU A 19 14.499 -3.845 -2.118 1.00 0.00 H new ATOM 0 HD23 LEU A 19 12.877 -3.230 -1.721 1.00 0.00 H new ATOM 279 N PHE A 20 10.186 -4.611 -5.905 1.00 0.00 N ATOM 280 CA PHE A 20 8.750 -5.004 -5.838 1.00 0.00 C ATOM 281 C PHE A 20 8.556 -6.357 -6.528 1.00 0.00 C ATOM 282 O PHE A 20 7.856 -7.220 -6.038 1.00 0.00 O ATOM 283 CB PHE A 20 7.900 -3.945 -6.544 1.00 0.00 C ATOM 284 CG PHE A 20 6.438 -4.291 -6.394 1.00 0.00 C ATOM 285 CD1 PHE A 20 5.743 -3.905 -5.242 1.00 0.00 C ATOM 286 CD2 PHE A 20 5.778 -4.997 -7.407 1.00 0.00 C ATOM 287 CE1 PHE A 20 4.386 -4.224 -5.102 1.00 0.00 C ATOM 288 CE2 PHE A 20 4.421 -5.317 -7.266 1.00 0.00 C ATOM 289 CZ PHE A 20 3.726 -4.930 -6.114 1.00 0.00 C ATOM 0 H PHE A 20 10.368 -3.707 -6.341 1.00 0.00 H new ATOM 0 HA PHE A 20 8.443 -5.082 -4.795 1.00 0.00 H new ATOM 0 HB2 PHE A 20 8.097 -2.961 -6.118 1.00 0.00 H new ATOM 0 HB3 PHE A 20 8.166 -3.894 -7.600 1.00 0.00 H new ATOM 0 HD1 PHE A 20 6.253 -3.361 -4.461 1.00 0.00 H new ATOM 0 HD2 PHE A 20 6.314 -5.295 -8.296 1.00 0.00 H new ATOM 0 HE1 PHE A 20 3.850 -3.925 -4.214 1.00 0.00 H new ATOM 0 HE2 PHE A 20 3.911 -5.862 -8.046 1.00 0.00 H new ATOM 0 HZ PHE A 20 2.680 -5.176 -6.006 1.00 0.00 H new ATOM 299 N LYS A 21 9.168 -6.547 -7.666 1.00 0.00 N ATOM 300 CA LYS A 21 9.016 -7.843 -8.387 1.00 0.00 C ATOM 301 C LYS A 21 9.491 -8.989 -7.491 1.00 0.00 C ATOM 302 O LYS A 21 8.735 -9.879 -7.153 1.00 0.00 O ATOM 303 CB LYS A 21 9.852 -7.813 -9.668 1.00 0.00 C ATOM 304 CG LYS A 21 9.316 -6.724 -10.599 1.00 0.00 C ATOM 305 CD LYS A 21 10.075 -6.765 -11.927 1.00 0.00 C ATOM 306 CE LYS A 21 9.627 -5.595 -12.806 1.00 0.00 C ATOM 307 NZ LYS A 21 10.391 -5.612 -14.084 1.00 0.00 N ATOM 0 H LYS A 21 9.766 -5.861 -8.127 1.00 0.00 H new ATOM 0 HA LYS A 21 7.967 -7.996 -8.641 1.00 0.00 H new ATOM 0 HB2 LYS A 21 10.898 -7.620 -9.429 1.00 0.00 H new ATOM 0 HB3 LYS A 21 9.812 -8.783 -10.164 1.00 0.00 H new ATOM 0 HG2 LYS A 21 8.250 -6.872 -10.773 1.00 0.00 H new ATOM 0 HG3 LYS A 21 9.430 -5.745 -10.134 1.00 0.00 H new ATOM 0 HD2 LYS A 21 11.148 -6.708 -11.747 1.00 0.00 H new ATOM 0 HD3 LYS A 21 9.887 -7.710 -12.437 1.00 0.00 H new ATOM 0 HE2 LYS A 21 8.558 -5.667 -13.008 1.00 0.00 H new ATOM 0 HE3 LYS A 21 9.790 -4.652 -12.285 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 10.086 -4.817 -14.681 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 11.407 -5.524 -13.882 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 10.214 -6.507 -14.583 1.00 0.00 H new ATOM 321 N ALA A 22 10.737 -8.977 -7.106 1.00 0.00 N ATOM 322 CA ALA A 22 11.258 -10.067 -6.234 1.00 0.00 C ATOM 323 C ALA A 22 10.620 -9.964 -4.846 1.00 0.00 C ATOM 324 O ALA A 22 10.800 -10.823 -4.005 1.00 0.00 O ATOM 325 CB ALA A 22 12.778 -9.937 -6.107 1.00 0.00 C ATOM 0 H ALA A 22 11.417 -8.260 -7.357 1.00 0.00 H new ATOM 0 HA ALA A 22 11.011 -11.032 -6.676 1.00 0.00 H new ATOM 0 HB1 ALA A 22 13.159 -10.734 -5.469 1.00 0.00 H new ATOM 0 HB2 ALA A 22 13.233 -10.013 -7.094 1.00 0.00 H new ATOM 0 HB3 ALA A 22 13.025 -8.971 -5.667 1.00 0.00 H new ATOM 331 N PHE A 23 9.879 -8.920 -4.598 1.00 0.00 N ATOM 332 CA PHE A 23 9.235 -8.764 -3.263 1.00 0.00 C ATOM 333 C PHE A 23 7.920 -9.546 -3.231 1.00 0.00 C ATOM 334 O PHE A 23 7.521 -10.066 -2.208 1.00 0.00 O ATOM 335 CB PHE A 23 8.950 -7.284 -3.001 1.00 0.00 C ATOM 336 CG PHE A 23 8.320 -7.130 -1.638 1.00 0.00 C ATOM 337 CD1 PHE A 23 9.094 -7.312 -0.485 1.00 0.00 C ATOM 338 CD2 PHE A 23 6.962 -6.807 -1.526 1.00 0.00 C ATOM 339 CE1 PHE A 23 8.508 -7.170 0.780 1.00 0.00 C ATOM 340 CE2 PHE A 23 6.378 -6.666 -0.261 1.00 0.00 C ATOM 341 CZ PHE A 23 7.152 -6.847 0.891 1.00 0.00 C ATOM 0 H PHE A 23 9.691 -8.168 -5.261 1.00 0.00 H new ATOM 0 HA PHE A 23 9.905 -9.148 -2.494 1.00 0.00 H new ATOM 0 HB2 PHE A 23 9.875 -6.709 -3.054 1.00 0.00 H new ATOM 0 HB3 PHE A 23 8.285 -6.889 -3.768 1.00 0.00 H new ATOM 0 HD1 PHE A 23 10.141 -7.561 -0.571 1.00 0.00 H new ATOM 0 HD2 PHE A 23 6.365 -6.667 -2.415 1.00 0.00 H new ATOM 0 HE1 PHE A 23 9.104 -7.310 1.670 1.00 0.00 H new ATOM 0 HE2 PHE A 23 5.331 -6.418 -0.174 1.00 0.00 H new ATOM 0 HZ PHE A 23 6.702 -6.737 1.866 1.00 0.00 H new ATOM 351 N VAL A 24 7.240 -9.632 -4.341 1.00 0.00 N ATOM 352 CA VAL A 24 5.949 -10.376 -4.366 1.00 0.00 C ATOM 353 C VAL A 24 5.967 -11.406 -5.499 1.00 0.00 C ATOM 354 O VAL A 24 5.380 -12.465 -5.395 1.00 0.00 O ATOM 355 CB VAL A 24 4.800 -9.392 -4.594 1.00 0.00 C ATOM 356 CG1 VAL A 24 4.808 -8.332 -3.490 1.00 0.00 C ATOM 357 CG2 VAL A 24 4.973 -8.713 -5.954 1.00 0.00 C ATOM 0 H VAL A 24 7.522 -9.220 -5.231 1.00 0.00 H new ATOM 0 HA VAL A 24 5.810 -10.889 -3.414 1.00 0.00 H new ATOM 0 HB VAL A 24 3.852 -9.930 -4.574 1.00 0.00 H new ATOM 0 HG11 VAL A 24 3.989 -7.631 -3.653 1.00 0.00 H new ATOM 0 HG12 VAL A 24 4.685 -8.815 -2.521 1.00 0.00 H new ATOM 0 HG13 VAL A 24 5.756 -7.794 -3.509 1.00 0.00 H new ATOM 0 HG21 VAL A 24 4.155 -8.012 -6.117 1.00 0.00 H new ATOM 0 HG22 VAL A 24 5.921 -8.176 -5.974 1.00 0.00 H new ATOM 0 HG23 VAL A 24 4.967 -9.467 -6.741 1.00 0.00 H new ATOM 367 N LEU A 25 6.631 -11.104 -6.581 1.00 0.00 N ATOM 368 CA LEU A 25 6.677 -12.068 -7.717 1.00 0.00 C ATOM 369 C LEU A 25 7.330 -13.374 -7.258 1.00 0.00 C ATOM 370 O LEU A 25 6.697 -14.411 -7.209 1.00 0.00 O ATOM 371 CB LEU A 25 7.492 -11.468 -8.865 1.00 0.00 C ATOM 372 CG LEU A 25 7.337 -12.346 -10.109 1.00 0.00 C ATOM 373 CD1 LEU A 25 5.851 -12.542 -10.414 1.00 0.00 C ATOM 374 CD2 LEU A 25 8.016 -11.667 -11.300 1.00 0.00 C ATOM 0 H LEU A 25 7.142 -10.234 -6.728 1.00 0.00 H new ATOM 0 HA LEU A 25 5.662 -12.271 -8.058 1.00 0.00 H new ATOM 0 HB2 LEU A 25 7.152 -10.454 -9.077 1.00 0.00 H new ATOM 0 HB3 LEU A 25 8.543 -11.399 -8.583 1.00 0.00 H new ATOM 0 HG LEU A 25 7.802 -13.315 -9.929 1.00 0.00 H new ATOM 0 HD11 LEU A 25 5.741 -13.167 -11.300 1.00 0.00 H new ATOM 0 HD12 LEU A 25 5.366 -13.026 -9.566 1.00 0.00 H new ATOM 0 HD13 LEU A 25 5.386 -11.573 -10.594 1.00 0.00 H new ATOM 0 HD21 LEU A 25 7.906 -12.292 -12.186 1.00 0.00 H new ATOM 0 HD22 LEU A 25 7.551 -10.697 -11.480 1.00 0.00 H new ATOM 0 HD23 LEU A 25 9.075 -11.527 -11.084 1.00 0.00 H new ATOM 386 N ASP A 26 8.591 -13.336 -6.925 1.00 0.00 N ATOM 387 CA ASP A 26 9.279 -14.579 -6.475 1.00 0.00 C ATOM 388 C ASP A 26 9.233 -14.667 -4.948 1.00 0.00 C ATOM 389 O ASP A 26 9.998 -15.385 -4.335 1.00 0.00 O ATOM 390 CB ASP A 26 10.736 -14.553 -6.941 1.00 0.00 C ATOM 391 CG ASP A 26 11.434 -13.317 -6.369 1.00 0.00 C ATOM 392 OD1 ASP A 26 10.970 -12.812 -5.361 1.00 0.00 O ATOM 393 OD2 ASP A 26 12.421 -12.897 -6.949 1.00 0.00 O ATOM 0 H ASP A 26 9.174 -12.499 -6.945 1.00 0.00 H new ATOM 0 HA ASP A 26 8.776 -15.446 -6.903 1.00 0.00 H new ATOM 0 HB2 ASP A 26 11.249 -15.457 -6.614 1.00 0.00 H new ATOM 0 HB3 ASP A 26 10.780 -14.537 -8.030 1.00 0.00 H new ATOM 398 N ALA A 27 8.342 -13.943 -4.326 1.00 0.00 N ATOM 399 CA ALA A 27 8.252 -13.990 -2.840 1.00 0.00 C ATOM 400 C ALA A 27 7.725 -15.359 -2.403 1.00 0.00 C ATOM 401 O ALA A 27 8.120 -15.891 -1.384 1.00 0.00 O ATOM 402 CB ALA A 27 7.297 -12.896 -2.354 1.00 0.00 C ATOM 0 H ALA A 27 7.674 -13.322 -4.783 1.00 0.00 H new ATOM 0 HA ALA A 27 9.240 -13.828 -2.410 1.00 0.00 H new ATOM 0 HB1 ALA A 27 7.230 -12.929 -1.267 1.00 0.00 H new ATOM 0 HB2 ALA A 27 7.672 -11.921 -2.665 1.00 0.00 H new ATOM 0 HB3 ALA A 27 6.309 -13.059 -2.784 1.00 0.00 H new ATOM 408 N ASP A 28 6.837 -15.934 -3.166 1.00 0.00 N ATOM 409 CA ASP A 28 6.286 -17.269 -2.796 1.00 0.00 C ATOM 410 C ASP A 28 7.435 -18.252 -2.564 1.00 0.00 C ATOM 411 O ASP A 28 7.420 -19.031 -1.631 1.00 0.00 O ATOM 412 CB ASP A 28 5.399 -17.785 -3.930 1.00 0.00 C ATOM 413 CG ASP A 28 4.148 -16.911 -4.040 1.00 0.00 C ATOM 414 OD1 ASP A 28 3.919 -16.124 -3.137 1.00 0.00 O ATOM 415 OD2 ASP A 28 3.441 -17.045 -5.025 1.00 0.00 O ATOM 0 H ASP A 28 6.469 -15.537 -4.030 1.00 0.00 H new ATOM 0 HA ASP A 28 5.697 -17.177 -1.883 1.00 0.00 H new ATOM 0 HB2 ASP A 28 5.949 -17.771 -4.871 1.00 0.00 H new ATOM 0 HB3 ASP A 28 5.116 -18.821 -3.742 1.00 0.00 H new ATOM 420 N ASN A 29 8.431 -18.222 -3.406 1.00 0.00 N ATOM 421 CA ASN A 29 9.579 -19.155 -3.235 1.00 0.00 C ATOM 422 C ASN A 29 10.720 -18.437 -2.513 1.00 0.00 C ATOM 423 O ASN A 29 11.450 -19.030 -1.743 1.00 0.00 O ATOM 424 CB ASN A 29 10.062 -19.627 -4.608 1.00 0.00 C ATOM 425 CG ASN A 29 10.922 -20.881 -4.443 1.00 0.00 C ATOM 426 OD1 ASN A 29 11.087 -21.378 -3.346 1.00 0.00 O ATOM 427 ND2 ASN A 29 11.482 -21.416 -5.492 1.00 0.00 N ATOM 0 H ASN A 29 8.499 -17.592 -4.205 1.00 0.00 H new ATOM 0 HA ASN A 29 9.261 -20.015 -2.645 1.00 0.00 H new ATOM 0 HB2 ASN A 29 9.209 -19.840 -5.252 1.00 0.00 H new ATOM 0 HB3 ASN A 29 10.638 -18.839 -5.093 1.00 0.00 H new ATOM 0 HD21 ASN A 29 12.058 -22.252 -5.392 1.00 0.00 H new ATOM 0 HD22 ASN A 29 11.344 -20.999 -6.413 1.00 0.00 H new ATOM 434 N LEU A 30 10.883 -17.166 -2.756 1.00 0.00 N ATOM 435 CA LEU A 30 11.980 -16.416 -2.084 1.00 0.00 C ATOM 436 C LEU A 30 11.667 -16.281 -0.592 1.00 0.00 C ATOM 437 O LEU A 30 12.541 -16.386 0.246 1.00 0.00 O ATOM 438 CB LEU A 30 12.103 -15.024 -2.709 1.00 0.00 C ATOM 439 CG LEU A 30 13.422 -14.379 -2.273 1.00 0.00 C ATOM 440 CD1 LEU A 30 13.361 -14.046 -0.782 1.00 0.00 C ATOM 441 CD2 LEU A 30 14.576 -15.351 -2.531 1.00 0.00 C ATOM 0 H LEU A 30 10.305 -16.615 -3.390 1.00 0.00 H new ATOM 0 HA LEU A 30 12.919 -16.955 -2.210 1.00 0.00 H new ATOM 0 HB2 LEU A 30 12.065 -15.098 -3.796 1.00 0.00 H new ATOM 0 HB3 LEU A 30 11.263 -14.401 -2.402 1.00 0.00 H new ATOM 0 HG LEU A 30 13.583 -13.464 -2.843 1.00 0.00 H new ATOM 0 HD11 LEU A 30 14.300 -13.587 -0.473 1.00 0.00 H new ATOM 0 HD12 LEU A 30 12.540 -13.353 -0.597 1.00 0.00 H new ATOM 0 HD13 LEU A 30 13.199 -14.960 -0.211 1.00 0.00 H new ATOM 0 HD21 LEU A 30 15.515 -14.892 -2.221 1.00 0.00 H new ATOM 0 HD22 LEU A 30 14.414 -16.267 -1.962 1.00 0.00 H new ATOM 0 HD23 LEU A 30 14.622 -15.587 -3.594 1.00 0.00 H new ATOM 453 N ILE A 31 10.428 -16.048 -0.253 1.00 0.00 N ATOM 454 CA ILE A 31 10.066 -15.906 1.185 1.00 0.00 C ATOM 455 C ILE A 31 10.617 -17.101 1.972 1.00 0.00 C ATOM 456 O ILE A 31 11.359 -16.934 2.920 1.00 0.00 O ATOM 457 CB ILE A 31 8.540 -15.843 1.324 1.00 0.00 C ATOM 458 CG1 ILE A 31 8.050 -14.457 0.902 1.00 0.00 C ATOM 459 CG2 ILE A 31 8.141 -16.100 2.780 1.00 0.00 C ATOM 460 CD1 ILE A 31 6.568 -14.529 0.531 1.00 0.00 C ATOM 0 H ILE A 31 9.653 -15.950 -0.909 1.00 0.00 H new ATOM 0 HA ILE A 31 10.498 -14.988 1.583 1.00 0.00 H new ATOM 0 HB ILE A 31 8.088 -16.603 0.687 1.00 0.00 H new ATOM 0 HG12 ILE A 31 8.198 -13.745 1.714 1.00 0.00 H new ATOM 0 HG13 ILE A 31 8.631 -14.098 0.053 1.00 0.00 H new ATOM 0 HG21 ILE A 31 7.056 -16.054 2.873 1.00 0.00 H new ATOM 0 HG22 ILE A 31 8.490 -17.087 3.084 1.00 0.00 H new ATOM 0 HG23 ILE A 31 8.593 -15.342 3.420 1.00 0.00 H new ATOM 0 HD11 ILE A 31 6.220 -13.541 0.230 1.00 0.00 H new ATOM 0 HD12 ILE A 31 6.433 -15.228 -0.295 1.00 0.00 H new ATOM 0 HD13 ILE A 31 5.993 -14.870 1.392 1.00 0.00 H new ATOM 472 N PRO A 32 10.251 -18.329 1.570 1.00 0.00 N ATOM 473 CA PRO A 32 10.714 -19.551 2.242 1.00 0.00 C ATOM 474 C PRO A 32 12.212 -19.789 2.020 1.00 0.00 C ATOM 475 O PRO A 32 12.856 -20.490 2.774 1.00 0.00 O ATOM 476 CB PRO A 32 9.904 -20.659 1.571 1.00 0.00 C ATOM 477 CG PRO A 32 9.551 -20.103 0.234 1.00 0.00 C ATOM 478 CD PRO A 32 9.357 -18.628 0.436 1.00 0.00 C ATOM 0 HA PRO A 32 10.577 -19.500 3.322 1.00 0.00 H new ATOM 0 HB2 PRO A 32 10.486 -21.576 1.479 1.00 0.00 H new ATOM 0 HB3 PRO A 32 9.012 -20.904 2.148 1.00 0.00 H new ATOM 0 HG2 PRO A 32 10.342 -20.297 -0.490 1.00 0.00 H new ATOM 0 HG3 PRO A 32 8.644 -20.566 -0.154 1.00 0.00 H new ATOM 0 HD2 PRO A 32 9.629 -18.059 -0.453 1.00 0.00 H new ATOM 0 HD3 PRO A 32 8.319 -18.385 0.665 1.00 0.00 H new ATOM 486 N LYS A 33 12.767 -19.212 0.989 1.00 0.00 N ATOM 487 CA LYS A 33 14.220 -19.408 0.720 1.00 0.00 C ATOM 488 C LYS A 33 15.039 -18.763 1.840 1.00 0.00 C ATOM 489 O LYS A 33 16.062 -19.275 2.248 1.00 0.00 O ATOM 490 CB LYS A 33 14.582 -18.757 -0.617 1.00 0.00 C ATOM 491 CG LYS A 33 15.756 -19.507 -1.250 1.00 0.00 C ATOM 492 CD LYS A 33 16.935 -19.524 -0.275 1.00 0.00 C ATOM 493 CE LYS A 33 18.233 -19.764 -1.048 1.00 0.00 C ATOM 494 NZ LYS A 33 19.127 -18.580 -0.898 1.00 0.00 N ATOM 0 H LYS A 33 12.278 -18.614 0.322 1.00 0.00 H new ATOM 0 HA LYS A 33 14.441 -20.474 0.678 1.00 0.00 H new ATOM 0 HB2 LYS A 33 13.722 -18.775 -1.287 1.00 0.00 H new ATOM 0 HB3 LYS A 33 14.845 -17.710 -0.464 1.00 0.00 H new ATOM 0 HG2 LYS A 33 15.460 -20.526 -1.497 1.00 0.00 H new ATOM 0 HG3 LYS A 33 16.049 -19.025 -2.183 1.00 0.00 H new ATOM 0 HD2 LYS A 33 16.989 -18.578 0.263 1.00 0.00 H new ATOM 0 HD3 LYS A 33 16.793 -20.307 0.470 1.00 0.00 H new ATOM 0 HE2 LYS A 33 18.731 -20.659 -0.675 1.00 0.00 H new ATOM 0 HE3 LYS A 33 18.015 -19.937 -2.102 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 20.010 -18.743 -1.423 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 18.651 -17.735 -1.274 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 19.345 -18.435 0.108 1.00 0.00 H new ATOM 508 N ILE A 34 14.598 -17.640 2.338 1.00 0.00 N ATOM 509 CA ILE A 34 15.351 -16.962 3.430 1.00 0.00 C ATOM 510 C ILE A 34 15.261 -17.798 4.708 1.00 0.00 C ATOM 511 O ILE A 34 16.134 -17.753 5.553 1.00 0.00 O ATOM 512 CB ILE A 34 14.748 -15.579 3.679 1.00 0.00 C ATOM 513 CG1 ILE A 34 14.792 -14.763 2.385 1.00 0.00 C ATOM 514 CG2 ILE A 34 15.555 -14.858 4.762 1.00 0.00 C ATOM 515 CD1 ILE A 34 14.075 -13.429 2.600 1.00 0.00 C ATOM 0 H ILE A 34 13.749 -17.163 2.035 1.00 0.00 H new ATOM 0 HA ILE A 34 16.397 -16.856 3.141 1.00 0.00 H new ATOM 0 HB ILE A 34 13.714 -15.687 4.007 1.00 0.00 H new ATOM 0 HG12 ILE A 34 15.826 -14.589 2.087 1.00 0.00 H new ATOM 0 HG13 ILE A 34 14.316 -15.318 1.576 1.00 0.00 H new ATOM 0 HG21 ILE A 34 15.126 -13.872 4.940 1.00 0.00 H new ATOM 0 HG22 ILE A 34 15.526 -15.438 5.684 1.00 0.00 H new ATOM 0 HG23 ILE A 34 16.589 -14.750 4.434 1.00 0.00 H new ATOM 0 HD11 ILE A 34 14.106 -12.847 1.679 1.00 0.00 H new ATOM 0 HD12 ILE A 34 13.037 -13.614 2.878 1.00 0.00 H new ATOM 0 HD13 ILE A 34 14.570 -12.874 3.397 1.00 0.00 H new ATOM 527 N ALA A 35 14.215 -18.563 4.856 1.00 0.00 N ATOM 528 CA ALA A 35 14.071 -19.402 6.079 1.00 0.00 C ATOM 529 C ALA A 35 13.321 -20.687 5.728 1.00 0.00 C ATOM 530 O ALA A 35 12.189 -20.884 6.123 1.00 0.00 O ATOM 531 CB ALA A 35 13.286 -18.628 7.141 1.00 0.00 C ATOM 0 H ALA A 35 13.453 -18.644 4.183 1.00 0.00 H new ATOM 0 HA ALA A 35 15.059 -19.650 6.467 1.00 0.00 H new ATOM 0 HB1 ALA A 35 13.181 -19.242 8.035 1.00 0.00 H new ATOM 0 HB2 ALA A 35 13.819 -17.711 7.391 1.00 0.00 H new ATOM 0 HB3 ALA A 35 12.298 -18.379 6.754 1.00 0.00 H new ATOM 537 N PRO A 36 13.971 -21.580 4.967 1.00 0.00 N ATOM 538 CA PRO A 36 13.373 -22.855 4.554 1.00 0.00 C ATOM 539 C PRO A 36 13.231 -23.822 5.733 1.00 0.00 C ATOM 540 O PRO A 36 12.321 -24.627 5.782 1.00 0.00 O ATOM 541 CB PRO A 36 14.372 -23.409 3.540 1.00 0.00 C ATOM 542 CG PRO A 36 15.673 -22.776 3.908 1.00 0.00 C ATOM 543 CD PRO A 36 15.342 -21.416 4.451 1.00 0.00 C ATOM 0 HA PRO A 36 12.368 -22.725 4.152 1.00 0.00 H new ATOM 0 HB2 PRO A 36 14.431 -24.496 3.595 1.00 0.00 H new ATOM 0 HB3 PRO A 36 14.083 -23.156 2.520 1.00 0.00 H new ATOM 0 HG2 PRO A 36 16.200 -23.374 4.652 1.00 0.00 H new ATOM 0 HG3 PRO A 36 16.327 -22.699 3.040 1.00 0.00 H new ATOM 0 HD2 PRO A 36 16.035 -21.118 5.238 1.00 0.00 H new ATOM 0 HD3 PRO A 36 15.391 -20.651 3.676 1.00 0.00 H new ATOM 551 N GLN A 37 14.123 -23.751 6.682 1.00 0.00 N ATOM 552 CA GLN A 37 14.039 -24.666 7.854 1.00 0.00 C ATOM 553 C GLN A 37 12.915 -24.202 8.783 1.00 0.00 C ATOM 554 O GLN A 37 12.315 -24.990 9.488 1.00 0.00 O ATOM 555 CB GLN A 37 15.366 -24.645 8.614 1.00 0.00 C ATOM 556 CG GLN A 37 16.475 -25.205 7.721 1.00 0.00 C ATOM 557 CD GLN A 37 17.812 -25.132 8.461 1.00 0.00 C ATOM 558 OE1 GLN A 37 17.920 -24.482 9.483 1.00 0.00 O ATOM 559 NE2 GLN A 37 18.843 -25.775 7.986 1.00 0.00 N ATOM 0 H GLN A 37 14.907 -23.098 6.696 1.00 0.00 H new ATOM 0 HA GLN A 37 13.833 -25.679 7.509 1.00 0.00 H new ATOM 0 HB2 GLN A 37 15.608 -23.626 8.916 1.00 0.00 H new ATOM 0 HB3 GLN A 37 15.285 -25.237 9.525 1.00 0.00 H new ATOM 0 HG2 GLN A 37 16.253 -26.237 7.451 1.00 0.00 H new ATOM 0 HG3 GLN A 37 16.530 -24.637 6.792 1.00 0.00 H new ATOM 0 HE21 GLN A 37 18.753 -26.320 7.129 1.00 0.00 H new ATOM 0 HE22 GLN A 37 19.739 -25.732 8.472 1.00 0.00 H new ATOM 568 N ALA A 38 12.625 -22.930 8.791 1.00 0.00 N ATOM 569 CA ALA A 38 11.541 -22.419 9.675 1.00 0.00 C ATOM 570 C ALA A 38 10.190 -22.939 9.179 1.00 0.00 C ATOM 571 O ALA A 38 9.360 -23.376 9.952 1.00 0.00 O ATOM 572 CB ALA A 38 11.540 -20.889 9.649 1.00 0.00 C ATOM 0 H ALA A 38 13.092 -22.223 8.223 1.00 0.00 H new ATOM 0 HA ALA A 38 11.711 -22.765 10.695 1.00 0.00 H new ATOM 0 HB1 ALA A 38 10.747 -20.515 10.296 1.00 0.00 H new ATOM 0 HB2 ALA A 38 12.502 -20.518 10.003 1.00 0.00 H new ATOM 0 HB3 ALA A 38 11.371 -20.543 8.630 1.00 0.00 H new ATOM 578 N VAL A 39 9.962 -22.897 7.895 1.00 0.00 N ATOM 579 CA VAL A 39 8.665 -23.391 7.350 1.00 0.00 C ATOM 580 C VAL A 39 8.933 -24.451 6.281 1.00 0.00 C ATOM 581 O VAL A 39 9.973 -24.465 5.653 1.00 0.00 O ATOM 582 CB VAL A 39 7.896 -22.223 6.728 1.00 0.00 C ATOM 583 CG1 VAL A 39 8.785 -21.515 5.704 1.00 0.00 C ATOM 584 CG2 VAL A 39 6.640 -22.752 6.036 1.00 0.00 C ATOM 0 H VAL A 39 10.618 -22.542 7.199 1.00 0.00 H new ATOM 0 HA VAL A 39 8.074 -23.828 8.155 1.00 0.00 H new ATOM 0 HB VAL A 39 7.610 -21.518 7.509 1.00 0.00 H new ATOM 0 HG11 VAL A 39 8.238 -20.683 5.261 1.00 0.00 H new ATOM 0 HG12 VAL A 39 9.680 -21.138 6.198 1.00 0.00 H new ATOM 0 HG13 VAL A 39 9.071 -22.219 4.922 1.00 0.00 H new ATOM 0 HG21 VAL A 39 6.091 -21.921 5.593 1.00 0.00 H new ATOM 0 HG22 VAL A 39 6.925 -23.457 5.255 1.00 0.00 H new ATOM 0 HG23 VAL A 39 6.007 -23.256 6.766 1.00 0.00 H new ATOM 594 N LYS A 40 8.002 -25.339 6.065 1.00 0.00 N ATOM 595 CA LYS A 40 8.205 -26.397 5.036 1.00 0.00 C ATOM 596 C LYS A 40 7.987 -25.802 3.644 1.00 0.00 C ATOM 597 O LYS A 40 8.779 -25.997 2.744 1.00 0.00 O ATOM 598 CB LYS A 40 7.208 -27.533 5.267 1.00 0.00 C ATOM 599 CG LYS A 40 7.513 -28.683 4.306 1.00 0.00 C ATOM 600 CD LYS A 40 6.500 -29.810 4.515 1.00 0.00 C ATOM 601 CE LYS A 40 6.856 -30.990 3.608 1.00 0.00 C ATOM 602 NZ LYS A 40 6.299 -32.246 4.184 1.00 0.00 N ATOM 0 H LYS A 40 7.109 -25.378 6.557 1.00 0.00 H new ATOM 0 HA LYS A 40 9.221 -26.786 5.111 1.00 0.00 H new ATOM 0 HB2 LYS A 40 7.269 -27.881 6.298 1.00 0.00 H new ATOM 0 HB3 LYS A 40 6.190 -27.175 5.111 1.00 0.00 H new ATOM 0 HG2 LYS A 40 7.471 -28.330 3.276 1.00 0.00 H new ATOM 0 HG3 LYS A 40 8.524 -29.053 4.476 1.00 0.00 H new ATOM 0 HD2 LYS A 40 6.501 -30.126 5.558 1.00 0.00 H new ATOM 0 HD3 LYS A 40 5.494 -29.456 4.291 1.00 0.00 H new ATOM 0 HE2 LYS A 40 6.455 -30.827 2.608 1.00 0.00 H new ATOM 0 HE3 LYS A 40 7.938 -31.072 3.508 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 6.541 -33.048 3.567 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 6.702 -32.403 5.130 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 5.265 -32.166 4.257 1.00 0.00 H new ATOM 616 N CYS A 41 6.917 -25.076 3.458 1.00 0.00 N ATOM 617 CA CYS A 41 6.650 -24.471 2.123 1.00 0.00 C ATOM 618 C CYS A 41 5.320 -23.714 2.161 1.00 0.00 C ATOM 619 O CYS A 41 4.365 -24.151 2.771 1.00 0.00 O ATOM 620 CB CYS A 41 6.578 -25.577 1.068 1.00 0.00 C ATOM 621 SG CYS A 41 5.730 -27.018 1.760 1.00 0.00 S ATOM 0 H CYS A 41 6.217 -24.876 4.173 1.00 0.00 H new ATOM 0 HA CYS A 41 7.453 -23.779 1.871 1.00 0.00 H new ATOM 0 HB2 CYS A 41 6.047 -25.219 0.186 1.00 0.00 H new ATOM 0 HB3 CYS A 41 7.582 -25.853 0.746 1.00 0.00 H new ATOM 0 HG CYS A 41 5.667 -27.957 0.863 1.00 0.00 H new ATOM 627 N ALA A 42 5.251 -22.584 1.511 1.00 0.00 N ATOM 628 CA ALA A 42 3.982 -21.802 1.510 1.00 0.00 C ATOM 629 C ALA A 42 3.123 -22.232 0.320 1.00 0.00 C ATOM 630 O ALA A 42 3.521 -22.110 -0.822 1.00 0.00 O ATOM 631 CB ALA A 42 4.303 -20.310 1.395 1.00 0.00 C ATOM 0 H ALA A 42 6.018 -22.169 0.981 1.00 0.00 H new ATOM 0 HA ALA A 42 3.439 -21.986 2.437 1.00 0.00 H new ATOM 0 HB1 ALA A 42 3.376 -19.737 1.394 1.00 0.00 H new ATOM 0 HB2 ALA A 42 4.918 -20.004 2.241 1.00 0.00 H new ATOM 0 HB3 ALA A 42 4.845 -20.125 0.467 1.00 0.00 H new ATOM 637 N GLU A 43 1.946 -22.735 0.576 1.00 0.00 N ATOM 638 CA GLU A 43 1.065 -23.174 -0.541 1.00 0.00 C ATOM 639 C GLU A 43 -0.045 -22.142 -0.751 1.00 0.00 C ATOM 640 O GLU A 43 -0.587 -21.598 0.191 1.00 0.00 O ATOM 641 CB GLU A 43 0.442 -24.528 -0.196 1.00 0.00 C ATOM 642 CG GLU A 43 -0.390 -25.026 -1.379 1.00 0.00 C ATOM 643 CD GLU A 43 -1.127 -26.305 -0.982 1.00 0.00 C ATOM 644 OE1 GLU A 43 -1.007 -26.703 0.166 1.00 0.00 O ATOM 645 OE2 GLU A 43 -1.801 -26.866 -1.830 1.00 0.00 O ATOM 0 H GLU A 43 1.557 -22.861 1.511 1.00 0.00 H new ATOM 0 HA GLU A 43 1.654 -23.266 -1.454 1.00 0.00 H new ATOM 0 HB2 GLU A 43 1.224 -25.250 0.041 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -0.186 -24.436 0.690 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -1.105 -24.261 -1.682 1.00 0.00 H new ATOM 0 HG3 GLU A 43 0.255 -25.217 -2.236 1.00 0.00 H new ATOM 652 N ILE A 44 -0.389 -21.869 -1.980 1.00 0.00 N ATOM 653 CA ILE A 44 -1.465 -20.874 -2.250 1.00 0.00 C ATOM 654 C ILE A 44 -2.731 -21.601 -2.705 1.00 0.00 C ATOM 655 O ILE A 44 -2.747 -22.259 -3.725 1.00 0.00 O ATOM 656 CB ILE A 44 -1.007 -19.912 -3.348 1.00 0.00 C ATOM 657 CG1 ILE A 44 0.326 -19.275 -2.949 1.00 0.00 C ATOM 658 CG2 ILE A 44 -2.059 -18.816 -3.537 1.00 0.00 C ATOM 659 CD1 ILE A 44 0.826 -18.383 -4.087 1.00 0.00 C ATOM 0 H ILE A 44 0.029 -22.292 -2.809 1.00 0.00 H new ATOM 0 HA ILE A 44 -1.676 -20.313 -1.340 1.00 0.00 H new ATOM 0 HB ILE A 44 -0.881 -20.461 -4.281 1.00 0.00 H new ATOM 0 HG12 ILE A 44 0.203 -18.687 -2.039 1.00 0.00 H new ATOM 0 HG13 ILE A 44 1.061 -20.050 -2.730 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -1.733 -18.130 -4.319 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -3.008 -19.268 -3.823 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -2.185 -18.268 -2.603 1.00 0.00 H new ATOM 0 HD11 ILE A 44 1.775 -17.929 -3.803 1.00 0.00 H new ATOM 0 HD12 ILE A 44 0.965 -18.984 -4.986 1.00 0.00 H new ATOM 0 HD13 ILE A 44 0.094 -17.600 -4.284 1.00 0.00 H new ATOM 671 N LEU A 45 -3.793 -21.488 -1.954 1.00 0.00 N ATOM 672 CA LEU A 45 -5.056 -22.174 -2.345 1.00 0.00 C ATOM 673 C LEU A 45 -5.570 -21.586 -3.661 1.00 0.00 C ATOM 674 O LEU A 45 -5.956 -22.302 -4.564 1.00 0.00 O ATOM 675 CB LEU A 45 -6.105 -21.972 -1.251 1.00 0.00 C ATOM 676 CG LEU A 45 -5.704 -22.766 -0.006 1.00 0.00 C ATOM 677 CD1 LEU A 45 -4.643 -21.988 0.775 1.00 0.00 C ATOM 678 CD2 LEU A 45 -6.931 -22.984 0.880 1.00 0.00 C ATOM 0 H LEU A 45 -3.840 -20.951 -1.088 1.00 0.00 H new ATOM 0 HA LEU A 45 -4.866 -23.240 -2.474 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -6.192 -20.913 -1.007 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -7.083 -22.299 -1.605 1.00 0.00 H new ATOM 0 HG LEU A 45 -5.299 -23.732 -0.308 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -4.357 -22.553 1.662 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -3.767 -21.834 0.145 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -5.048 -21.022 1.075 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -6.644 -23.550 1.766 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -7.338 -22.019 1.182 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -7.687 -23.539 0.324 1.00 0.00 H new ATOM 690 N GLU A 46 -5.579 -20.286 -3.777 1.00 0.00 N ATOM 691 CA GLU A 46 -6.068 -19.653 -5.035 1.00 0.00 C ATOM 692 C GLU A 46 -5.487 -18.243 -5.158 1.00 0.00 C ATOM 693 O GLU A 46 -5.136 -17.618 -4.177 1.00 0.00 O ATOM 694 CB GLU A 46 -7.596 -19.573 -5.006 1.00 0.00 C ATOM 695 CG GLU A 46 -8.185 -20.981 -5.123 1.00 0.00 C ATOM 696 CD GLU A 46 -7.650 -21.654 -6.389 1.00 0.00 C ATOM 697 OE1 GLU A 46 -7.194 -20.941 -7.268 1.00 0.00 O ATOM 698 OE2 GLU A 46 -7.706 -22.870 -6.457 1.00 0.00 O ATOM 0 H GLU A 46 -5.269 -19.635 -3.055 1.00 0.00 H new ATOM 0 HA GLU A 46 -5.751 -20.252 -5.889 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -7.928 -19.104 -4.080 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -7.953 -18.949 -5.825 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -7.921 -21.571 -4.245 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -9.273 -20.930 -5.158 1.00 0.00 H new ATOM 705 N GLY A 47 -5.383 -17.737 -6.356 1.00 0.00 N ATOM 706 CA GLY A 47 -4.826 -16.367 -6.541 1.00 0.00 C ATOM 707 C GLY A 47 -3.413 -16.466 -7.122 1.00 0.00 C ATOM 708 O GLY A 47 -3.042 -15.721 -8.008 1.00 0.00 O ATOM 0 H GLY A 47 -5.660 -18.213 -7.215 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -5.466 -15.790 -7.208 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -4.803 -15.840 -5.587 1.00 0.00 H new ATOM 712 N ASP A 48 -2.623 -17.380 -6.630 1.00 0.00 N ATOM 713 CA ASP A 48 -1.234 -17.526 -7.153 1.00 0.00 C ATOM 714 C ASP A 48 -0.464 -16.223 -6.930 1.00 0.00 C ATOM 715 O ASP A 48 0.352 -15.827 -7.739 1.00 0.00 O ATOM 716 CB ASP A 48 -1.285 -17.839 -8.651 1.00 0.00 C ATOM 717 CG ASP A 48 -1.864 -19.239 -8.859 1.00 0.00 C ATOM 718 OD1 ASP A 48 -2.057 -19.932 -7.874 1.00 0.00 O ATOM 719 OD2 ASP A 48 -2.105 -19.595 -10.001 1.00 0.00 O ATOM 0 H ASP A 48 -2.878 -18.032 -5.889 1.00 0.00 H new ATOM 0 HA ASP A 48 -0.731 -18.338 -6.628 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -1.898 -17.100 -9.167 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -0.285 -17.780 -9.080 1.00 0.00 H new ATOM 724 N GLY A 49 -0.712 -15.555 -5.837 1.00 0.00 N ATOM 725 CA GLY A 49 0.009 -14.280 -5.563 1.00 0.00 C ATOM 726 C GLY A 49 -0.755 -13.114 -6.193 1.00 0.00 C ATOM 727 O GLY A 49 -0.172 -12.142 -6.630 1.00 0.00 O ATOM 0 H GLY A 49 -1.383 -15.837 -5.122 1.00 0.00 H new ATOM 0 HA2 GLY A 49 0.104 -14.128 -4.488 1.00 0.00 H new ATOM 0 HA3 GLY A 49 1.020 -14.327 -5.968 1.00 0.00 H new ATOM 731 N GLY A 50 -2.056 -13.201 -6.243 1.00 0.00 N ATOM 732 CA GLY A 50 -2.855 -12.096 -6.844 1.00 0.00 C ATOM 733 C GLY A 50 -3.784 -11.504 -5.783 1.00 0.00 C ATOM 734 O GLY A 50 -3.635 -11.758 -4.603 1.00 0.00 O ATOM 0 H GLY A 50 -2.600 -13.990 -5.894 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -2.192 -11.324 -7.234 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -3.438 -12.470 -7.685 1.00 0.00 H new ATOM 738 N PRO A 51 -4.765 -10.699 -6.216 1.00 0.00 N ATOM 739 CA PRO A 51 -5.728 -10.063 -5.308 1.00 0.00 C ATOM 740 C PRO A 51 -6.690 -11.086 -4.698 1.00 0.00 C ATOM 741 O PRO A 51 -7.246 -11.918 -5.388 1.00 0.00 O ATOM 742 CB PRO A 51 -6.492 -9.100 -6.215 1.00 0.00 C ATOM 743 CG PRO A 51 -6.360 -9.685 -7.581 1.00 0.00 C ATOM 744 CD PRO A 51 -5.011 -10.345 -7.625 1.00 0.00 C ATOM 0 HA PRO A 51 -5.238 -9.575 -4.465 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -7.538 -9.020 -5.917 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -6.071 -8.096 -6.171 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -7.153 -10.407 -7.774 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -6.440 -8.912 -8.345 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -5.014 -11.226 -8.267 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -4.245 -9.672 -8.011 1.00 0.00 H new ATOM 752 N GLY A 52 -6.890 -11.032 -3.410 1.00 0.00 N ATOM 753 CA GLY A 52 -7.814 -12.003 -2.759 1.00 0.00 C ATOM 754 C GLY A 52 -7.202 -13.404 -2.821 1.00 0.00 C ATOM 755 O GLY A 52 -7.901 -14.396 -2.863 1.00 0.00 O ATOM 0 H GLY A 52 -6.454 -10.358 -2.781 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -7.990 -11.716 -1.722 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -8.782 -11.994 -3.261 1.00 0.00 H new ATOM 759 N THR A 53 -5.900 -13.492 -2.828 1.00 0.00 N ATOM 760 CA THR A 53 -5.242 -14.828 -2.888 1.00 0.00 C ATOM 761 C THR A 53 -5.132 -15.407 -1.477 1.00 0.00 C ATOM 762 O THR A 53 -4.919 -14.695 -0.517 1.00 0.00 O ATOM 763 CB THR A 53 -3.842 -14.680 -3.489 1.00 0.00 C ATOM 764 OG1 THR A 53 -3.942 -14.111 -4.786 1.00 0.00 O ATOM 765 CG2 THR A 53 -3.178 -16.054 -3.581 1.00 0.00 C ATOM 0 H THR A 53 -5.263 -12.696 -2.795 1.00 0.00 H new ATOM 0 HA THR A 53 -5.836 -15.498 -3.510 1.00 0.00 H new ATOM 0 HB THR A 53 -3.240 -14.030 -2.854 1.00 0.00 H new ATOM 0 HG1 THR A 53 -4.411 -13.252 -4.731 1.00 0.00 H new ATOM 0 HG21 THR A 53 -2.181 -15.948 -4.009 1.00 0.00 H new ATOM 0 HG22 THR A 53 -3.101 -16.488 -2.584 1.00 0.00 H new ATOM 0 HG23 THR A 53 -3.778 -16.706 -4.215 1.00 0.00 H new ATOM 773 N ILE A 54 -5.272 -16.698 -1.345 1.00 0.00 N ATOM 774 CA ILE A 54 -5.172 -17.324 0.003 1.00 0.00 C ATOM 775 C ILE A 54 -3.889 -18.154 0.082 1.00 0.00 C ATOM 776 O ILE A 54 -3.621 -18.980 -0.768 1.00 0.00 O ATOM 777 CB ILE A 54 -6.382 -18.229 0.239 1.00 0.00 C ATOM 778 CG1 ILE A 54 -7.669 -17.427 0.033 1.00 0.00 C ATOM 779 CG2 ILE A 54 -6.343 -18.771 1.669 1.00 0.00 C ATOM 780 CD1 ILE A 54 -8.876 -18.355 0.179 1.00 0.00 C ATOM 0 H ILE A 54 -5.451 -17.346 -2.112 1.00 0.00 H new ATOM 0 HA ILE A 54 -5.150 -16.545 0.765 1.00 0.00 H new ATOM 0 HB ILE A 54 -6.356 -19.060 -0.466 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -7.727 -16.619 0.762 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -7.669 -16.966 -0.955 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -7.205 -19.416 1.837 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -5.427 -19.344 1.816 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -6.368 -17.940 2.374 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -9.793 -17.785 0.032 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -8.818 -19.147 -0.567 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -8.878 -18.795 1.176 1.00 0.00 H new ATOM 792 N LYS A 55 -3.093 -17.941 1.094 1.00 0.00 N ATOM 793 CA LYS A 55 -1.829 -18.719 1.221 1.00 0.00 C ATOM 794 C LYS A 55 -1.877 -19.573 2.489 1.00 0.00 C ATOM 795 O LYS A 55 -2.492 -19.209 3.472 1.00 0.00 O ATOM 796 CB LYS A 55 -0.643 -17.756 1.301 1.00 0.00 C ATOM 797 CG LYS A 55 -0.619 -16.871 0.053 1.00 0.00 C ATOM 798 CD LYS A 55 0.624 -15.981 0.083 1.00 0.00 C ATOM 799 CE LYS A 55 0.639 -15.083 -1.155 1.00 0.00 C ATOM 800 NZ LYS A 55 1.991 -15.122 -1.780 1.00 0.00 N ATOM 0 H LYS A 55 -3.263 -17.263 1.837 1.00 0.00 H new ATOM 0 HA LYS A 55 -1.715 -19.367 0.352 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -0.722 -17.139 2.196 1.00 0.00 H new ATOM 0 HB3 LYS A 55 0.289 -18.316 1.381 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -0.615 -17.490 -0.844 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -1.518 -16.257 0.012 1.00 0.00 H new ATOM 0 HD2 LYS A 55 0.626 -15.372 0.987 1.00 0.00 H new ATOM 0 HD3 LYS A 55 1.524 -16.596 0.110 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -0.113 -15.417 -1.869 1.00 0.00 H new ATOM 0 HE3 LYS A 55 0.384 -14.060 -0.879 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 2.078 -14.346 -2.467 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 2.717 -15.015 -1.043 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 2.122 -16.032 -2.267 1.00 0.00 H new ATOM 814 N LYS A 56 -1.229 -20.706 2.476 1.00 0.00 N ATOM 815 CA LYS A 56 -1.235 -21.583 3.679 1.00 0.00 C ATOM 816 C LYS A 56 0.202 -21.981 4.024 1.00 0.00 C ATOM 817 O LYS A 56 0.902 -22.571 3.224 1.00 0.00 O ATOM 818 CB LYS A 56 -2.057 -22.841 3.391 1.00 0.00 C ATOM 819 CG LYS A 56 -2.181 -23.673 4.669 1.00 0.00 C ATOM 820 CD LYS A 56 -2.938 -24.967 4.364 1.00 0.00 C ATOM 821 CE LYS A 56 -3.189 -25.730 5.667 1.00 0.00 C ATOM 822 NZ LYS A 56 -2.640 -27.110 5.549 1.00 0.00 N ATOM 0 H LYS A 56 -0.695 -21.062 1.683 1.00 0.00 H new ATOM 0 HA LYS A 56 -1.677 -21.046 4.518 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -3.047 -22.566 3.026 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -1.580 -23.429 2.607 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -1.191 -23.903 5.064 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -2.706 -23.104 5.436 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -3.885 -24.740 3.875 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -2.362 -25.584 3.674 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -2.718 -25.210 6.502 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -4.258 -25.769 5.878 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -2.811 -27.628 6.434 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -3.109 -27.604 4.763 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -1.617 -27.062 5.367 1.00 0.00 H new ATOM 836 N ILE A 57 0.650 -21.661 5.207 1.00 0.00 N ATOM 837 CA ILE A 57 2.042 -22.018 5.597 1.00 0.00 C ATOM 838 C ILE A 57 2.010 -23.104 6.675 1.00 0.00 C ATOM 839 O ILE A 57 1.256 -23.027 7.626 1.00 0.00 O ATOM 840 CB ILE A 57 2.753 -20.778 6.145 1.00 0.00 C ATOM 841 CG1 ILE A 57 2.713 -19.662 5.099 1.00 0.00 C ATOM 842 CG2 ILE A 57 4.208 -21.125 6.464 1.00 0.00 C ATOM 843 CD1 ILE A 57 2.975 -18.317 5.780 1.00 0.00 C ATOM 0 H ILE A 57 0.112 -21.168 5.920 1.00 0.00 H new ATOM 0 HA ILE A 57 2.578 -22.389 4.724 1.00 0.00 H new ATOM 0 HB ILE A 57 2.251 -20.443 7.053 1.00 0.00 H new ATOM 0 HG12 ILE A 57 3.462 -19.844 4.328 1.00 0.00 H new ATOM 0 HG13 ILE A 57 1.742 -19.648 4.603 1.00 0.00 H new ATOM 0 HG21 ILE A 57 4.715 -20.243 6.854 1.00 0.00 H new ATOM 0 HG22 ILE A 57 4.237 -21.920 7.209 1.00 0.00 H new ATOM 0 HG23 ILE A 57 4.710 -21.460 5.556 1.00 0.00 H new ATOM 0 HD11 ILE A 57 2.947 -17.521 5.036 1.00 0.00 H new ATOM 0 HD12 ILE A 57 2.209 -18.136 6.534 1.00 0.00 H new ATOM 0 HD13 ILE A 57 3.956 -18.335 6.255 1.00 0.00 H new ATOM 855 N THR A 58 2.823 -24.115 6.536 1.00 0.00 N ATOM 856 CA THR A 58 2.841 -25.204 7.553 1.00 0.00 C ATOM 857 C THR A 58 4.233 -25.287 8.183 1.00 0.00 C ATOM 858 O THR A 58 5.224 -25.460 7.500 1.00 0.00 O ATOM 859 CB THR A 58 2.505 -26.536 6.881 1.00 0.00 C ATOM 860 OG1 THR A 58 1.234 -26.441 6.253 1.00 0.00 O ATOM 861 CG2 THR A 58 2.475 -27.648 7.931 1.00 0.00 C ATOM 0 H THR A 58 3.476 -24.234 5.762 1.00 0.00 H new ATOM 0 HA THR A 58 2.103 -24.992 8.326 1.00 0.00 H new ATOM 0 HB THR A 58 3.264 -26.767 6.133 1.00 0.00 H new ATOM 0 HG1 THR A 58 1.018 -27.294 5.820 1.00 0.00 H new ATOM 0 HG21 THR A 58 2.235 -28.596 7.450 1.00 0.00 H new ATOM 0 HG22 THR A 58 3.451 -27.721 8.411 1.00 0.00 H new ATOM 0 HG23 THR A 58 1.718 -27.420 8.681 1.00 0.00 H new ATOM 869 N PHE A 59 4.317 -25.165 9.480 1.00 0.00 N ATOM 870 CA PHE A 59 5.645 -25.238 10.149 1.00 0.00 C ATOM 871 C PHE A 59 5.923 -26.680 10.580 1.00 0.00 C ATOM 872 O PHE A 59 5.053 -27.366 11.079 1.00 0.00 O ATOM 873 CB PHE A 59 5.646 -24.328 11.378 1.00 0.00 C ATOM 874 CG PHE A 59 5.412 -22.900 10.947 1.00 0.00 C ATOM 875 CD1 PHE A 59 6.496 -22.092 10.584 1.00 0.00 C ATOM 876 CD2 PHE A 59 4.111 -22.384 10.909 1.00 0.00 C ATOM 877 CE1 PHE A 59 6.280 -20.769 10.183 1.00 0.00 C ATOM 878 CE2 PHE A 59 3.894 -21.060 10.508 1.00 0.00 C ATOM 879 CZ PHE A 59 4.979 -20.253 10.145 1.00 0.00 C ATOM 0 H PHE A 59 3.524 -25.018 10.104 1.00 0.00 H new ATOM 0 HA PHE A 59 6.420 -24.913 9.455 1.00 0.00 H new ATOM 0 HB2 PHE A 59 4.869 -24.640 12.076 1.00 0.00 H new ATOM 0 HB3 PHE A 59 6.598 -24.409 11.903 1.00 0.00 H new ATOM 0 HD1 PHE A 59 7.500 -22.490 10.613 1.00 0.00 H new ATOM 0 HD2 PHE A 59 3.275 -23.007 11.189 1.00 0.00 H new ATOM 0 HE1 PHE A 59 7.117 -20.146 9.903 1.00 0.00 H new ATOM 0 HE2 PHE A 59 2.891 -20.662 10.479 1.00 0.00 H new ATOM 0 HZ PHE A 59 4.812 -19.232 9.835 1.00 0.00 H new ATOM 974 N TYR A 67 0.366 -23.750 12.129 1.00 0.00 N ATOM 975 CA TYR A 67 0.430 -23.311 10.706 1.00 0.00 C ATOM 976 C TYR A 67 -0.191 -21.918 10.574 1.00 0.00 C ATOM 977 O TYR A 67 -1.106 -21.565 11.292 1.00 0.00 O ATOM 978 CB TYR A 67 -0.343 -24.301 9.833 1.00 0.00 C ATOM 979 CG TYR A 67 -1.824 -24.152 10.092 1.00 0.00 C ATOM 980 CD1 TYR A 67 -2.417 -24.824 11.167 1.00 0.00 C ATOM 981 CD2 TYR A 67 -2.602 -23.341 9.257 1.00 0.00 C ATOM 982 CE1 TYR A 67 -3.790 -24.686 11.407 1.00 0.00 C ATOM 983 CE2 TYR A 67 -3.975 -23.203 9.498 1.00 0.00 C ATOM 984 CZ TYR A 67 -4.568 -23.875 10.573 1.00 0.00 C ATOM 985 OH TYR A 67 -5.920 -23.739 10.810 1.00 0.00 O ATOM 0 HA TYR A 67 1.470 -23.276 10.381 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -0.127 -24.119 8.780 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -0.025 -25.320 10.052 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -1.816 -25.449 11.811 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -2.144 -22.822 8.428 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -4.248 -25.205 12.236 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -4.576 -22.578 8.854 1.00 0.00 H new ATOM 0 HH TYR A 67 -6.302 -23.103 10.169 1.00 0.00 H new ATOM 995 N VAL A 68 0.299 -21.124 9.663 1.00 0.00 N ATOM 996 CA VAL A 68 -0.264 -19.755 9.485 1.00 0.00 C ATOM 997 C VAL A 68 -0.727 -19.578 8.039 1.00 0.00 C ATOM 998 O VAL A 68 -0.183 -20.166 7.125 1.00 0.00 O ATOM 999 CB VAL A 68 0.812 -18.716 9.807 1.00 0.00 C ATOM 1000 CG1 VAL A 68 0.215 -17.312 9.687 1.00 0.00 C ATOM 1001 CG2 VAL A 68 1.321 -18.934 11.234 1.00 0.00 C ATOM 0 H VAL A 68 1.065 -21.363 9.034 1.00 0.00 H new ATOM 0 HA VAL A 68 -1.112 -19.621 10.157 1.00 0.00 H new ATOM 0 HB VAL A 68 1.640 -18.820 9.106 1.00 0.00 H new ATOM 0 HG11 VAL A 68 0.980 -16.570 9.916 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -0.148 -17.157 8.671 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -0.613 -17.208 10.388 1.00 0.00 H new ATOM 0 HG21 VAL A 68 2.088 -18.194 11.464 1.00 0.00 H new ATOM 0 HG22 VAL A 68 0.493 -18.829 11.936 1.00 0.00 H new ATOM 0 HG23 VAL A 68 1.745 -19.934 11.320 1.00 0.00 H new ATOM 1011 N LYS A 69 -1.731 -18.771 7.822 1.00 0.00 N ATOM 1012 CA LYS A 69 -2.228 -18.556 6.434 1.00 0.00 C ATOM 1013 C LYS A 69 -2.187 -17.063 6.105 1.00 0.00 C ATOM 1014 O LYS A 69 -2.439 -16.225 6.948 1.00 0.00 O ATOM 1015 CB LYS A 69 -3.667 -19.064 6.323 1.00 0.00 C ATOM 1016 CG LYS A 69 -3.692 -20.577 6.552 1.00 0.00 C ATOM 1017 CD LYS A 69 -5.134 -21.082 6.471 1.00 0.00 C ATOM 1018 CE LYS A 69 -5.637 -20.962 5.031 1.00 0.00 C ATOM 1019 NZ LYS A 69 -6.826 -21.842 4.845 1.00 0.00 N ATOM 0 H LYS A 69 -2.228 -18.252 8.546 1.00 0.00 H new ATOM 0 HA LYS A 69 -1.596 -19.101 5.732 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -4.298 -18.564 7.057 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -4.073 -18.827 5.339 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -3.077 -21.079 5.805 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -3.266 -20.815 7.527 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -5.186 -22.120 6.800 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -5.771 -20.503 7.139 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -5.899 -19.927 4.811 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -4.848 -21.246 4.334 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -7.168 -21.761 3.866 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -6.561 -22.829 5.038 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -7.579 -21.551 5.500 1.00 0.00 H new ATOM 1033 N HIS A 70 -1.869 -16.721 4.886 1.00 0.00 N ATOM 1034 CA HIS A 70 -1.812 -15.281 4.508 1.00 0.00 C ATOM 1035 C HIS A 70 -2.763 -15.019 3.339 1.00 0.00 C ATOM 1036 O HIS A 70 -2.892 -15.824 2.437 1.00 0.00 O ATOM 1037 CB HIS A 70 -0.384 -14.919 4.094 1.00 0.00 C ATOM 1038 CG HIS A 70 0.524 -15.016 5.289 1.00 0.00 C ATOM 1039 ND1 HIS A 70 1.087 -16.091 5.929 1.00 0.00 N flip ATOM 1040 CD2 HIS A 70 0.961 -13.895 5.978 1.00 0.00 C flip ATOM 1041 CE1 HIS A 70 1.860 -15.649 6.998 1.00 0.00 C flip ATOM 1042 NE2 HIS A 70 1.750 -14.318 6.983 1.00 0.00 N flip ATOM 0 H HIS A 70 -1.646 -17.376 4.137 1.00 0.00 H new ATOM 0 HA HIS A 70 -2.110 -14.671 5.361 1.00 0.00 H new ATOM 0 HB2 HIS A 70 -0.041 -15.591 3.307 1.00 0.00 H new ATOM 0 HB3 HIS A 70 -0.358 -13.909 3.685 1.00 0.00 H new ATOM 0 HD2 HIS A 70 0.713 -12.869 5.750 1.00 0.00 H new ATOM 0 HE1 HIS A 70 2.427 -16.253 7.691 1.00 0.00 H new ATOM 0 HE2 HIS A 70 2.208 -13.698 7.651 1.00 0.00 H new ATOM 1050 N LYS A 71 -3.429 -13.897 3.345 1.00 0.00 N ATOM 1051 CA LYS A 71 -4.370 -13.581 2.233 1.00 0.00 C ATOM 1052 C LYS A 71 -3.972 -12.249 1.594 1.00 0.00 C ATOM 1053 O LYS A 71 -3.613 -11.307 2.272 1.00 0.00 O ATOM 1054 CB LYS A 71 -5.794 -13.476 2.783 1.00 0.00 C ATOM 1055 CG LYS A 71 -6.775 -13.289 1.623 1.00 0.00 C ATOM 1056 CD LYS A 71 -8.184 -13.067 2.177 1.00 0.00 C ATOM 1057 CE LYS A 71 -9.191 -13.076 1.026 1.00 0.00 C ATOM 1058 NZ LYS A 71 -10.575 -13.073 1.576 1.00 0.00 N ATOM 0 H LYS A 71 -3.362 -13.185 4.072 1.00 0.00 H new ATOM 0 HA LYS A 71 -4.327 -14.372 1.485 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -6.046 -14.375 3.345 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -5.867 -12.637 3.475 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -6.475 -12.438 1.012 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -6.761 -14.166 0.976 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -8.431 -13.848 2.896 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -8.232 -12.117 2.709 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -9.039 -12.204 0.390 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -9.038 -13.957 0.402 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -11.260 -13.079 0.793 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -10.716 -13.918 2.166 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -10.717 -12.220 2.154 1.00 0.00 H new ATOM 1072 N ILE A 72 -4.031 -12.164 0.293 1.00 0.00 N ATOM 1073 CA ILE A 72 -3.656 -10.892 -0.387 1.00 0.00 C ATOM 1074 C ILE A 72 -4.920 -10.090 -0.702 1.00 0.00 C ATOM 1075 O ILE A 72 -5.896 -10.618 -1.195 1.00 0.00 O ATOM 1076 CB ILE A 72 -2.916 -11.208 -1.688 1.00 0.00 C ATOM 1077 CG1 ILE A 72 -1.746 -12.150 -1.395 1.00 0.00 C ATOM 1078 CG2 ILE A 72 -2.383 -9.911 -2.299 1.00 0.00 C ATOM 1079 CD1 ILE A 72 -1.051 -12.522 -2.706 1.00 0.00 C ATOM 0 H ILE A 72 -4.322 -12.919 -0.328 1.00 0.00 H new ATOM 0 HA ILE A 72 -3.008 -10.308 0.267 1.00 0.00 H new ATOM 0 HB ILE A 72 -3.601 -11.686 -2.388 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -1.038 -11.669 -0.719 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -2.105 -13.049 -0.894 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -1.856 -10.135 -3.226 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -3.215 -9.239 -2.508 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -1.698 -9.433 -1.598 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -0.217 -13.193 -2.498 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -1.762 -13.020 -3.366 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -0.678 -11.619 -3.189 1.00 0.00 H new ATOM 1091 N HIS A 73 -4.910 -8.815 -0.420 1.00 0.00 N ATOM 1092 CA HIS A 73 -6.112 -7.980 -0.703 1.00 0.00 C ATOM 1093 C HIS A 73 -6.018 -7.418 -2.123 1.00 0.00 C ATOM 1094 O HIS A 73 -6.960 -7.478 -2.888 1.00 0.00 O ATOM 1095 CB HIS A 73 -6.181 -6.829 0.300 1.00 0.00 C ATOM 1096 CG HIS A 73 -6.529 -7.369 1.659 1.00 0.00 C ATOM 1097 ND1 HIS A 73 -7.750 -7.968 1.925 1.00 0.00 N ATOM 1098 CD2 HIS A 73 -5.827 -7.409 2.839 1.00 0.00 C ATOM 1099 CE1 HIS A 73 -7.746 -8.340 3.219 1.00 0.00 C ATOM 1100 NE2 HIS A 73 -6.597 -8.022 3.822 1.00 0.00 N ATOM 0 H HIS A 73 -4.122 -8.316 -0.006 1.00 0.00 H new ATOM 0 HA HIS A 73 -7.010 -8.592 -0.614 1.00 0.00 H new ATOM 0 HB2 HIS A 73 -5.224 -6.308 0.338 1.00 0.00 H new ATOM 0 HB3 HIS A 73 -6.928 -6.101 -0.016 1.00 0.00 H new ATOM 0 HD1 HIS A 73 -8.513 -8.103 1.261 1.00 0.00 H new ATOM 0 HD2 HIS A 73 -4.829 -7.023 2.982 1.00 0.00 H new ATOM 0 HE1 HIS A 73 -8.571 -8.835 3.710 1.00 0.00 H new ATOM 1108 N SER A 74 -4.888 -6.870 -2.481 1.00 0.00 N ATOM 1109 CA SER A 74 -4.738 -6.305 -3.852 1.00 0.00 C ATOM 1110 C SER A 74 -3.272 -5.940 -4.097 1.00 0.00 C ATOM 1111 O SER A 74 -2.529 -5.664 -3.177 1.00 0.00 O ATOM 1112 CB SER A 74 -5.604 -5.051 -3.983 1.00 0.00 C ATOM 1113 OG SER A 74 -5.039 -4.002 -3.211 1.00 0.00 O ATOM 0 H SER A 74 -4.064 -6.789 -1.885 1.00 0.00 H new ATOM 0 HA SER A 74 -5.055 -7.045 -4.587 1.00 0.00 H new ATOM 0 HB2 SER A 74 -5.672 -4.751 -5.029 1.00 0.00 H new ATOM 0 HB3 SER A 74 -6.619 -5.260 -3.644 1.00 0.00 H new ATOM 0 HG SER A 74 -5.593 -3.198 -3.296 1.00 0.00 H new ATOM 1119 N ILE A 75 -2.852 -5.936 -5.332 1.00 0.00 N ATOM 1120 CA ILE A 75 -1.436 -5.588 -5.637 1.00 0.00 C ATOM 1121 C ILE A 75 -1.400 -4.511 -6.723 1.00 0.00 C ATOM 1122 O ILE A 75 -2.209 -4.502 -7.629 1.00 0.00 O ATOM 1123 CB ILE A 75 -0.700 -6.835 -6.133 1.00 0.00 C ATOM 1124 CG1 ILE A 75 -1.221 -7.218 -7.520 1.00 0.00 C ATOM 1125 CG2 ILE A 75 -0.942 -7.991 -5.161 1.00 0.00 C ATOM 1126 CD1 ILE A 75 -0.429 -8.415 -8.050 1.00 0.00 C ATOM 0 H ILE A 75 -3.429 -6.159 -6.143 1.00 0.00 H new ATOM 0 HA ILE A 75 -0.951 -5.214 -4.736 1.00 0.00 H new ATOM 0 HB ILE A 75 0.368 -6.626 -6.191 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -2.281 -7.465 -7.466 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -1.124 -6.374 -8.202 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -0.418 -8.879 -5.514 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -0.571 -7.719 -4.173 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -2.010 -8.199 -5.102 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -0.800 -8.688 -9.038 1.00 0.00 H new ATOM 0 HD12 ILE A 75 0.626 -8.151 -8.119 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -0.548 -9.260 -7.371 1.00 0.00 H new ATOM 1138 N ASP A 76 -0.468 -3.601 -6.639 1.00 0.00 N ATOM 1139 CA ASP A 76 -0.384 -2.526 -7.667 1.00 0.00 C ATOM 1140 C ASP A 76 1.022 -2.505 -8.269 1.00 0.00 C ATOM 1141 O ASP A 76 1.918 -1.864 -7.757 1.00 0.00 O ATOM 1142 CB ASP A 76 -0.680 -1.174 -7.016 1.00 0.00 C ATOM 1143 CG ASP A 76 -2.108 -1.175 -6.467 1.00 0.00 C ATOM 1144 OD1 ASP A 76 -2.868 -2.049 -6.850 1.00 0.00 O ATOM 1145 OD2 ASP A 76 -2.416 -0.301 -5.673 1.00 0.00 O ATOM 0 H ASP A 76 0.238 -3.556 -5.904 1.00 0.00 H new ATOM 0 HA ASP A 76 -1.113 -2.718 -8.454 1.00 0.00 H new ATOM 0 HB2 ASP A 76 0.030 -0.982 -6.212 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -0.560 -0.373 -7.745 1.00 0.00 H new ATOM 1150 N LYS A 77 1.223 -3.201 -9.355 1.00 0.00 N ATOM 1151 CA LYS A 77 2.571 -3.219 -9.990 1.00 0.00 C ATOM 1152 C LYS A 77 2.932 -1.807 -10.455 1.00 0.00 C ATOM 1153 O LYS A 77 4.075 -1.399 -10.402 1.00 0.00 O ATOM 1154 CB LYS A 77 2.556 -4.164 -11.192 1.00 0.00 C ATOM 1155 CG LYS A 77 2.391 -5.606 -10.707 1.00 0.00 C ATOM 1156 CD LYS A 77 2.544 -6.562 -11.892 1.00 0.00 C ATOM 1157 CE LYS A 77 2.206 -7.986 -11.444 1.00 0.00 C ATOM 1158 NZ LYS A 77 1.972 -8.840 -12.642 1.00 0.00 N ATOM 0 H LYS A 77 0.512 -3.758 -9.830 1.00 0.00 H new ATOM 0 HA LYS A 77 3.310 -3.564 -9.267 1.00 0.00 H new ATOM 0 HB2 LYS A 77 1.740 -3.900 -11.865 1.00 0.00 H new ATOM 0 HB3 LYS A 77 3.482 -4.063 -11.758 1.00 0.00 H new ATOM 0 HG2 LYS A 77 3.136 -5.832 -9.945 1.00 0.00 H new ATOM 0 HG3 LYS A 77 1.412 -5.736 -10.245 1.00 0.00 H new ATOM 0 HD2 LYS A 77 1.885 -6.259 -12.705 1.00 0.00 H new ATOM 0 HD3 LYS A 77 3.563 -6.522 -12.276 1.00 0.00 H new ATOM 0 HE2 LYS A 77 3.021 -8.394 -10.847 1.00 0.00 H new ATOM 0 HE3 LYS A 77 1.319 -7.979 -10.810 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 1.742 -9.808 -12.339 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 1.181 -8.453 -13.195 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 2.830 -8.856 -13.230 1.00 0.00 H new ATOM 1172 N VAL A 78 1.966 -1.058 -10.912 1.00 0.00 N ATOM 1173 CA VAL A 78 2.255 0.327 -11.381 1.00 0.00 C ATOM 1174 C VAL A 78 2.582 1.214 -10.178 1.00 0.00 C ATOM 1175 O VAL A 78 3.473 2.038 -10.226 1.00 0.00 O ATOM 1176 CB VAL A 78 1.030 0.886 -12.108 1.00 0.00 C ATOM 1177 CG1 VAL A 78 1.257 2.365 -12.425 1.00 0.00 C ATOM 1178 CG2 VAL A 78 0.815 0.113 -13.411 1.00 0.00 C ATOM 0 H VAL A 78 0.990 -1.345 -10.981 1.00 0.00 H new ATOM 0 HA VAL A 78 3.105 0.310 -12.063 1.00 0.00 H new ATOM 0 HB VAL A 78 0.150 0.781 -11.473 1.00 0.00 H new ATOM 0 HG11 VAL A 78 0.385 2.764 -12.943 1.00 0.00 H new ATOM 0 HG12 VAL A 78 1.412 2.916 -11.498 1.00 0.00 H new ATOM 0 HG13 VAL A 78 2.136 2.470 -13.061 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -0.057 0.510 -13.930 1.00 0.00 H new ATOM 0 HG22 VAL A 78 1.694 0.219 -14.046 1.00 0.00 H new ATOM 0 HG23 VAL A 78 0.655 -0.941 -13.186 1.00 0.00 H new ATOM 1188 N ASN A 79 1.867 1.053 -9.098 1.00 0.00 N ATOM 1189 CA ASN A 79 2.137 1.887 -7.893 1.00 0.00 C ATOM 1190 C ASN A 79 3.214 1.217 -7.037 1.00 0.00 C ATOM 1191 O ASN A 79 3.573 1.704 -5.983 1.00 0.00 O ATOM 1192 CB ASN A 79 0.852 2.032 -7.075 1.00 0.00 C ATOM 1193 CG ASN A 79 -0.232 2.680 -7.938 1.00 0.00 C ATOM 1194 OD1 ASN A 79 -1.379 2.076 -8.087 1.00 0.00 O flip ATOM 1195 ND2 ASN A 79 -0.034 3.749 -8.481 1.00 0.00 N flip ATOM 0 H ASN A 79 1.107 0.380 -8.998 1.00 0.00 H new ATOM 0 HA ASN A 79 2.483 2.873 -8.204 1.00 0.00 H new ATOM 0 HB2 ASN A 79 0.518 1.055 -6.726 1.00 0.00 H new ATOM 0 HB3 ASN A 79 1.039 2.640 -6.190 1.00 0.00 H new ATOM 0 HD21 ASN A 79 0.862 4.222 -8.365 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -0.764 4.174 -9.053 1.00 0.00 H new ATOM 1202 N HIS A 80 3.733 0.104 -7.479 1.00 0.00 N ATOM 1203 CA HIS A 80 4.785 -0.593 -6.687 1.00 0.00 C ATOM 1204 C HIS A 80 4.311 -0.759 -5.242 1.00 0.00 C ATOM 1205 O HIS A 80 5.068 -0.593 -4.307 1.00 0.00 O ATOM 1206 CB HIS A 80 6.072 0.235 -6.709 1.00 0.00 C ATOM 1207 CG HIS A 80 6.442 0.549 -8.133 1.00 0.00 C ATOM 1208 ND1 HIS A 80 6.232 1.800 -8.693 1.00 0.00 N ATOM 1209 CD2 HIS A 80 7.011 -0.214 -9.122 1.00 0.00 C ATOM 1210 CE1 HIS A 80 6.666 1.752 -9.965 1.00 0.00 C ATOM 1211 NE2 HIS A 80 7.151 0.547 -10.279 1.00 0.00 N ATOM 0 H HIS A 80 3.474 -0.352 -8.354 1.00 0.00 H new ATOM 0 HA HIS A 80 4.976 -1.574 -7.121 1.00 0.00 H new ATOM 0 HB2 HIS A 80 5.933 1.158 -6.146 1.00 0.00 H new ATOM 0 HB3 HIS A 80 6.879 -0.315 -6.225 1.00 0.00 H new ATOM 0 HD1 HIS A 80 5.823 2.609 -8.225 1.00 0.00 H new ATOM 0 HD2 HIS A 80 7.305 -1.248 -9.018 1.00 0.00 H new ATOM 0 HE1 HIS A 80 6.627 2.586 -10.650 1.00 0.00 H new ATOM 1219 N THR A 81 3.061 -1.085 -5.052 1.00 0.00 N ATOM 1220 CA THR A 81 2.539 -1.261 -3.668 1.00 0.00 C ATOM 1221 C THR A 81 1.950 -2.664 -3.517 1.00 0.00 C ATOM 1222 O THR A 81 1.275 -3.162 -4.396 1.00 0.00 O ATOM 1223 CB THR A 81 1.452 -0.219 -3.395 1.00 0.00 C ATOM 1224 OG1 THR A 81 1.960 1.079 -3.675 1.00 0.00 O ATOM 1225 CG2 THR A 81 1.023 -0.296 -1.930 1.00 0.00 C ATOM 0 H THR A 81 2.380 -1.237 -5.796 1.00 0.00 H new ATOM 0 HA THR A 81 3.353 -1.131 -2.955 1.00 0.00 H new ATOM 0 HB THR A 81 0.591 -0.418 -4.033 1.00 0.00 H new ATOM 0 HG1 THR A 81 2.355 1.089 -4.572 1.00 0.00 H new ATOM 0 HG21 THR A 81 0.249 0.447 -1.738 1.00 0.00 H new ATOM 0 HG22 THR A 81 0.632 -1.291 -1.717 1.00 0.00 H new ATOM 0 HG23 THR A 81 1.882 -0.099 -1.289 1.00 0.00 H new ATOM 1233 N TYR A 82 2.199 -3.306 -2.408 1.00 0.00 N ATOM 1234 CA TYR A 82 1.654 -4.677 -2.200 1.00 0.00 C ATOM 1235 C TYR A 82 0.899 -4.725 -0.870 1.00 0.00 C ATOM 1236 O TYR A 82 1.428 -4.376 0.167 1.00 0.00 O ATOM 1237 CB TYR A 82 2.804 -5.684 -2.172 1.00 0.00 C ATOM 1238 CG TYR A 82 2.248 -7.082 -2.040 1.00 0.00 C ATOM 1239 CD1 TYR A 82 1.770 -7.755 -3.170 1.00 0.00 C ATOM 1240 CD2 TYR A 82 2.209 -7.704 -0.786 1.00 0.00 C ATOM 1241 CE1 TYR A 82 1.254 -9.051 -3.047 1.00 0.00 C ATOM 1242 CE2 TYR A 82 1.694 -9.000 -0.663 1.00 0.00 C ATOM 1243 CZ TYR A 82 1.216 -9.674 -1.795 1.00 0.00 C ATOM 1244 OH TYR A 82 0.708 -10.951 -1.673 1.00 0.00 O ATOM 0 H TYR A 82 2.757 -2.940 -1.637 1.00 0.00 H new ATOM 0 HA TYR A 82 0.974 -4.928 -3.014 1.00 0.00 H new ATOM 0 HB2 TYR A 82 3.396 -5.601 -3.084 1.00 0.00 H new ATOM 0 HB3 TYR A 82 3.471 -5.467 -1.338 1.00 0.00 H new ATOM 0 HD1 TYR A 82 1.799 -7.275 -4.137 1.00 0.00 H new ATOM 0 HD2 TYR A 82 2.576 -7.184 0.086 1.00 0.00 H new ATOM 0 HE1 TYR A 82 0.885 -9.570 -3.919 1.00 0.00 H new ATOM 0 HE2 TYR A 82 1.665 -9.480 0.304 1.00 0.00 H new ATOM 0 HH TYR A 82 1.155 -11.411 -0.932 1.00 0.00 H new ATOM 1254 N SER A 83 -0.334 -5.151 -0.889 1.00 0.00 N ATOM 1255 CA SER A 83 -1.118 -5.216 0.375 1.00 0.00 C ATOM 1256 C SER A 83 -1.505 -6.668 0.668 1.00 0.00 C ATOM 1257 O SER A 83 -1.955 -7.388 -0.202 1.00 0.00 O ATOM 1258 CB SER A 83 -2.385 -4.370 0.233 1.00 0.00 C ATOM 1259 OG SER A 83 -2.028 -3.032 -0.081 1.00 0.00 O ATOM 0 H SER A 83 -0.832 -5.457 -1.725 1.00 0.00 H new ATOM 0 HA SER A 83 -0.512 -4.831 1.195 1.00 0.00 H new ATOM 0 HB2 SER A 83 -3.023 -4.780 -0.549 1.00 0.00 H new ATOM 0 HB3 SER A 83 -2.959 -4.397 1.159 1.00 0.00 H new ATOM 0 HG SER A 83 -2.839 -2.490 -0.174 1.00 0.00 H new ATOM 1265 N TYR A 84 -1.336 -7.101 1.887 1.00 0.00 N ATOM 1266 CA TYR A 84 -1.696 -8.504 2.237 1.00 0.00 C ATOM 1267 C TYR A 84 -2.162 -8.559 3.694 1.00 0.00 C ATOM 1268 O TYR A 84 -1.995 -7.618 4.443 1.00 0.00 O ATOM 1269 CB TYR A 84 -0.474 -9.409 2.050 1.00 0.00 C ATOM 1270 CG TYR A 84 0.518 -9.164 3.163 1.00 0.00 C ATOM 1271 CD1 TYR A 84 1.415 -8.092 3.080 1.00 0.00 C ATOM 1272 CD2 TYR A 84 0.542 -10.012 4.276 1.00 0.00 C ATOM 1273 CE1 TYR A 84 2.334 -7.867 4.112 1.00 0.00 C ATOM 1274 CE2 TYR A 84 1.461 -9.787 5.308 1.00 0.00 C ATOM 1275 CZ TYR A 84 2.358 -8.715 5.226 1.00 0.00 C ATOM 1276 OH TYR A 84 3.263 -8.494 6.243 1.00 0.00 O ATOM 0 H TYR A 84 -0.964 -6.544 2.656 1.00 0.00 H new ATOM 0 HA TYR A 84 -2.500 -8.848 1.586 1.00 0.00 H new ATOM 0 HB2 TYR A 84 -0.781 -10.455 2.048 1.00 0.00 H new ATOM 0 HB3 TYR A 84 -0.008 -9.212 1.085 1.00 0.00 H new ATOM 0 HD1 TYR A 84 1.398 -7.439 2.220 1.00 0.00 H new ATOM 0 HD2 TYR A 84 -0.148 -10.840 4.339 1.00 0.00 H new ATOM 0 HE1 TYR A 84 3.025 -7.039 4.049 1.00 0.00 H new ATOM 0 HE2 TYR A 84 1.478 -10.441 6.168 1.00 0.00 H new ATOM 0 HH TYR A 84 2.794 -8.136 7.026 1.00 0.00 H new ATOM 1286 N SER A 85 -2.746 -9.653 4.102 1.00 0.00 N ATOM 1287 CA SER A 85 -3.221 -9.759 5.510 1.00 0.00 C ATOM 1288 C SER A 85 -3.026 -11.192 6.011 1.00 0.00 C ATOM 1289 O SER A 85 -2.914 -12.121 5.236 1.00 0.00 O ATOM 1290 CB SER A 85 -4.707 -9.395 5.576 1.00 0.00 C ATOM 1291 OG SER A 85 -5.465 -10.372 4.880 1.00 0.00 O ATOM 0 H SER A 85 -2.914 -10.475 3.523 1.00 0.00 H new ATOM 0 HA SER A 85 -2.649 -9.075 6.137 1.00 0.00 H new ATOM 0 HB2 SER A 85 -5.033 -9.339 6.615 1.00 0.00 H new ATOM 0 HB3 SER A 85 -4.871 -8.411 5.137 1.00 0.00 H new ATOM 0 HG SER A 85 -6.014 -9.934 4.196 1.00 0.00 H new ATOM 1297 N LEU A 86 -2.985 -11.377 7.302 1.00 0.00 N ATOM 1298 CA LEU A 86 -2.797 -12.749 7.853 1.00 0.00 C ATOM 1299 C LEU A 86 -4.155 -13.321 8.269 1.00 0.00 C ATOM 1300 O LEU A 86 -4.941 -12.664 8.923 1.00 0.00 O ATOM 1301 CB LEU A 86 -1.875 -12.687 9.072 1.00 0.00 C ATOM 1302 CG LEU A 86 -1.285 -14.074 9.336 1.00 0.00 C ATOM 1303 CD1 LEU A 86 -0.225 -13.977 10.435 1.00 0.00 C ATOM 1304 CD2 LEU A 86 -2.398 -15.024 9.784 1.00 0.00 C ATOM 0 H LEU A 86 -3.074 -10.638 7.999 1.00 0.00 H new ATOM 0 HA LEU A 86 -2.350 -13.389 7.092 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -1.075 -11.967 8.900 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -2.431 -12.344 9.945 1.00 0.00 H new ATOM 0 HG LEU A 86 -0.827 -14.454 8.423 1.00 0.00 H new ATOM 0 HD11 LEU A 86 0.195 -14.965 10.623 1.00 0.00 H new ATOM 0 HD12 LEU A 86 0.568 -13.300 10.117 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -0.682 -13.597 11.349 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -1.979 -16.012 9.972 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -2.855 -14.644 10.697 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -3.154 -15.094 9.002 1.00 0.00 H new ATOM 1316 N ILE A 87 -4.435 -14.540 7.898 1.00 0.00 N ATOM 1317 CA ILE A 87 -5.741 -15.152 8.273 1.00 0.00 C ATOM 1318 C ILE A 87 -5.572 -15.964 9.559 1.00 0.00 C ATOM 1319 O ILE A 87 -5.993 -15.556 10.622 1.00 0.00 O ATOM 1320 CB ILE A 87 -6.216 -16.072 7.148 1.00 0.00 C ATOM 1321 CG1 ILE A 87 -6.408 -15.256 5.867 1.00 0.00 C ATOM 1322 CG2 ILE A 87 -7.544 -16.720 7.544 1.00 0.00 C ATOM 1323 CD1 ILE A 87 -6.814 -16.190 4.725 1.00 0.00 C ATOM 0 H ILE A 87 -3.816 -15.139 7.351 1.00 0.00 H new ATOM 0 HA ILE A 87 -6.478 -14.365 8.433 1.00 0.00 H new ATOM 0 HB ILE A 87 -5.471 -16.848 6.976 1.00 0.00 H new ATOM 0 HG12 ILE A 87 -7.174 -14.495 6.019 1.00 0.00 H new ATOM 0 HG13 ILE A 87 -5.485 -14.734 5.614 1.00 0.00 H new ATOM 0 HG21 ILE A 87 -7.882 -17.376 6.742 1.00 0.00 H new ATOM 0 HG22 ILE A 87 -7.407 -17.302 8.455 1.00 0.00 H new ATOM 0 HG23 ILE A 87 -8.290 -15.944 7.717 1.00 0.00 H new ATOM 0 HD11 ILE A 87 -6.951 -15.610 3.812 1.00 0.00 H new ATOM 0 HD12 ILE A 87 -6.033 -16.934 4.568 1.00 0.00 H new ATOM 0 HD13 ILE A 87 -7.747 -16.692 4.980 1.00 0.00 H new ATOM 1335 N GLU A 88 -4.957 -17.112 9.470 1.00 0.00 N ATOM 1336 CA GLU A 88 -4.762 -17.949 10.686 1.00 0.00 C ATOM 1337 C GLU A 88 -3.266 -18.084 10.976 1.00 0.00 C ATOM 1338 O GLU A 88 -2.437 -17.915 10.105 1.00 0.00 O ATOM 1339 CB GLU A 88 -5.363 -19.337 10.454 1.00 0.00 C ATOM 1340 CG GLU A 88 -6.870 -19.207 10.226 1.00 0.00 C ATOM 1341 CD GLU A 88 -7.486 -20.601 10.087 1.00 0.00 C ATOM 1342 OE1 GLU A 88 -6.731 -21.555 10.004 1.00 0.00 O ATOM 1343 OE2 GLU A 88 -8.702 -20.689 10.067 1.00 0.00 O ATOM 0 H GLU A 88 -4.581 -17.506 8.607 1.00 0.00 H new ATOM 0 HA GLU A 88 -5.257 -17.477 11.535 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -4.893 -19.809 9.591 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -5.168 -19.978 11.314 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -7.330 -18.676 11.059 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -7.064 -18.621 9.328 1.00 0.00 H new ATOM 1350 N GLY A 89 -2.914 -18.387 12.196 1.00 0.00 N ATOM 1351 CA GLY A 89 -1.473 -18.533 12.541 1.00 0.00 C ATOM 1352 C GLY A 89 -1.332 -18.760 14.047 1.00 0.00 C ATOM 1353 O GLY A 89 -2.186 -18.379 14.824 1.00 0.00 O ATOM 0 H GLY A 89 -3.563 -18.540 12.968 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -1.040 -19.370 11.994 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -0.924 -17.639 12.244 1.00 0.00 H new ATOM 1357 N ASP A 90 -0.261 -19.375 14.467 1.00 0.00 N ATOM 1358 CA ASP A 90 -0.068 -19.622 15.923 1.00 0.00 C ATOM 1359 C ASP A 90 0.015 -18.284 16.659 1.00 0.00 C ATOM 1360 O ASP A 90 -0.354 -18.174 17.812 1.00 0.00 O ATOM 1361 CB ASP A 90 1.227 -20.407 16.138 1.00 0.00 C ATOM 1362 CG ASP A 90 1.128 -21.758 15.427 1.00 0.00 C ATOM 1363 OD1 ASP A 90 0.039 -22.102 14.997 1.00 0.00 O ATOM 1364 OD2 ASP A 90 2.144 -22.427 15.323 1.00 0.00 O ATOM 0 H ASP A 90 0.488 -19.717 13.865 1.00 0.00 H new ATOM 0 HA ASP A 90 -0.909 -20.197 16.311 1.00 0.00 H new ATOM 0 HB2 ASP A 90 2.076 -19.842 15.752 1.00 0.00 H new ATOM 0 HB3 ASP A 90 1.402 -20.557 17.203 1.00 0.00 H new ATOM 1369 N ALA A 91 0.496 -17.264 16.001 1.00 0.00 N ATOM 1370 CA ALA A 91 0.601 -15.933 16.662 1.00 0.00 C ATOM 1371 C ALA A 91 -0.801 -15.362 16.884 1.00 0.00 C ATOM 1372 O ALA A 91 -1.051 -14.654 17.840 1.00 0.00 O ATOM 1373 CB ALA A 91 1.403 -14.983 15.769 1.00 0.00 C ATOM 0 H ALA A 91 0.821 -17.296 15.035 1.00 0.00 H new ATOM 0 HA ALA A 91 1.105 -16.042 17.622 1.00 0.00 H new ATOM 0 HB1 ALA A 91 1.481 -14.009 16.251 1.00 0.00 H new ATOM 0 HB2 ALA A 91 2.402 -15.390 15.610 1.00 0.00 H new ATOM 0 HB3 ALA A 91 0.899 -14.873 14.809 1.00 0.00 H new ATOM 1379 N LEU A 92 -1.720 -15.666 16.008 1.00 0.00 N ATOM 1380 CA LEU A 92 -3.107 -15.141 16.168 1.00 0.00 C ATOM 1381 C LEU A 92 -3.800 -15.902 17.292 1.00 0.00 C ATOM 1382 O LEU A 92 -4.624 -15.371 18.009 1.00 0.00 O ATOM 1383 CB LEU A 92 -3.884 -15.347 14.865 1.00 0.00 C ATOM 1384 CG LEU A 92 -2.958 -15.122 13.669 1.00 0.00 C ATOM 1385 CD1 LEU A 92 -3.793 -15.007 12.393 1.00 0.00 C ATOM 1386 CD2 LEU A 92 -2.160 -13.833 13.874 1.00 0.00 C ATOM 0 H LEU A 92 -1.571 -16.255 15.189 1.00 0.00 H new ATOM 0 HA LEU A 92 -3.072 -14.078 16.406 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -4.297 -16.355 14.832 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -4.726 -14.656 14.820 1.00 0.00 H new ATOM 0 HG LEU A 92 -2.270 -15.963 13.580 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -3.134 -14.847 11.540 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -4.360 -15.926 12.245 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -4.481 -14.166 12.483 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -1.500 -13.674 13.021 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -2.846 -12.991 13.964 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -1.564 -13.915 14.783 1.00 0.00 H new ATOM 1398 N SER A 93 -3.470 -17.149 17.444 1.00 0.00 N ATOM 1399 CA SER A 93 -4.104 -17.963 18.518 1.00 0.00 C ATOM 1400 C SER A 93 -5.626 -17.914 18.358 1.00 0.00 C ATOM 1401 O SER A 93 -6.143 -17.317 17.434 1.00 0.00 O ATOM 1402 CB SER A 93 -3.716 -17.398 19.885 1.00 0.00 C ATOM 1403 OG SER A 93 -2.744 -18.240 20.487 1.00 0.00 O ATOM 0 H SER A 93 -2.787 -17.644 16.871 1.00 0.00 H new ATOM 0 HA SER A 93 -3.762 -18.995 18.444 1.00 0.00 H new ATOM 0 HB2 SER A 93 -3.320 -16.389 19.774 1.00 0.00 H new ATOM 0 HB3 SER A 93 -4.596 -17.326 20.524 1.00 0.00 H new ATOM 0 HG SER A 93 -2.494 -17.877 21.362 1.00 0.00 H new ATOM 1409 N GLU A 94 -6.347 -18.537 19.249 1.00 0.00 N ATOM 1410 CA GLU A 94 -7.834 -18.526 19.143 1.00 0.00 C ATOM 1411 C GLU A 94 -8.391 -17.302 19.874 1.00 0.00 C ATOM 1412 O GLU A 94 -9.556 -17.252 20.215 1.00 0.00 O ATOM 1413 CB GLU A 94 -8.399 -19.798 19.779 1.00 0.00 C ATOM 1414 CG GLU A 94 -7.766 -21.025 19.118 1.00 0.00 C ATOM 1415 CD GLU A 94 -8.301 -22.295 19.783 1.00 0.00 C ATOM 1416 OE1 GLU A 94 -8.942 -22.176 20.814 1.00 0.00 O ATOM 1417 OE2 GLU A 94 -8.062 -23.366 19.249 1.00 0.00 O ATOM 0 H GLU A 94 -5.972 -19.053 20.045 1.00 0.00 H new ATOM 0 HA GLU A 94 -8.122 -18.484 18.093 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -8.195 -19.803 20.850 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -9.482 -19.826 19.660 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -7.994 -21.036 18.052 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -6.681 -20.982 19.211 1.00 0.00 H new ATOM 1424 N ASN A 95 -7.570 -16.318 20.122 1.00 0.00 N ATOM 1425 CA ASN A 95 -8.061 -15.105 20.837 1.00 0.00 C ATOM 1426 C ASN A 95 -7.745 -13.853 20.015 1.00 0.00 C ATOM 1427 O ASN A 95 -8.204 -12.770 20.320 1.00 0.00 O ATOM 1428 CB ASN A 95 -7.374 -15.004 22.201 1.00 0.00 C ATOM 1429 CG ASN A 95 -7.529 -16.329 22.950 1.00 0.00 C ATOM 1430 OD1 ASN A 95 -6.585 -16.828 23.530 1.00 0.00 O ATOM 1431 ND2 ASN A 95 -8.691 -16.923 22.963 1.00 0.00 N ATOM 0 H ASN A 95 -6.584 -16.301 19.862 1.00 0.00 H new ATOM 0 HA ASN A 95 -9.140 -15.182 20.974 1.00 0.00 H new ATOM 0 HB2 ASN A 95 -6.318 -14.769 22.071 1.00 0.00 H new ATOM 0 HB3 ASN A 95 -7.812 -14.192 22.782 1.00 0.00 H new ATOM 0 HD21 ASN A 95 -8.807 -17.806 23.460 1.00 0.00 H new ATOM 0 HD22 ASN A 95 -9.483 -16.504 22.476 1.00 0.00 H new ATOM 1438 N ILE A 96 -6.966 -13.985 18.975 1.00 0.00 N ATOM 1439 CA ILE A 96 -6.630 -12.793 18.144 1.00 0.00 C ATOM 1440 C ILE A 96 -7.349 -12.886 16.796 1.00 0.00 C ATOM 1441 O ILE A 96 -7.531 -13.956 16.251 1.00 0.00 O ATOM 1442 CB ILE A 96 -5.119 -12.739 17.913 1.00 0.00 C ATOM 1443 CG1 ILE A 96 -4.391 -13.041 19.225 1.00 0.00 C ATOM 1444 CG2 ILE A 96 -4.728 -11.343 17.423 1.00 0.00 C ATOM 1445 CD1 ILE A 96 -2.881 -13.071 18.977 1.00 0.00 C ATOM 0 H ILE A 96 -6.549 -14.863 18.666 1.00 0.00 H new ATOM 0 HA ILE A 96 -6.951 -11.890 18.664 1.00 0.00 H new ATOM 0 HB ILE A 96 -4.839 -13.479 17.163 1.00 0.00 H new ATOM 0 HG12 ILE A 96 -4.633 -12.283 19.970 1.00 0.00 H new ATOM 0 HG13 ILE A 96 -4.723 -13.999 19.625 1.00 0.00 H new ATOM 0 HG21 ILE A 96 -3.651 -11.304 17.258 1.00 0.00 H new ATOM 0 HG22 ILE A 96 -5.246 -11.127 16.489 1.00 0.00 H new ATOM 0 HG23 ILE A 96 -5.008 -10.603 18.173 1.00 0.00 H new ATOM 0 HD11 ILE A 96 -2.363 -13.286 19.912 1.00 0.00 H new ATOM 0 HD12 ILE A 96 -2.648 -13.845 18.246 1.00 0.00 H new ATOM 0 HD13 ILE A 96 -2.556 -12.103 18.596 1.00 0.00 H new ATOM 1457 N GLU A 97 -7.758 -11.771 16.255 1.00 0.00 N ATOM 1458 CA GLU A 97 -8.464 -11.790 14.944 1.00 0.00 C ATOM 1459 C GLU A 97 -7.441 -11.663 13.813 1.00 0.00 C ATOM 1460 O GLU A 97 -6.253 -11.573 14.046 1.00 0.00 O ATOM 1461 CB GLU A 97 -9.451 -10.623 14.876 1.00 0.00 C ATOM 1462 CG GLU A 97 -10.586 -10.860 15.875 1.00 0.00 C ATOM 1463 CD GLU A 97 -11.706 -9.847 15.627 1.00 0.00 C ATOM 1464 OE1 GLU A 97 -11.462 -8.886 14.917 1.00 0.00 O ATOM 1465 OE2 GLU A 97 -12.788 -10.050 16.152 1.00 0.00 O ATOM 0 H GLU A 97 -7.633 -10.846 16.666 1.00 0.00 H new ATOM 0 HA GLU A 97 -9.008 -12.729 14.838 1.00 0.00 H new ATOM 0 HB2 GLU A 97 -8.941 -9.687 15.103 1.00 0.00 H new ATOM 0 HB3 GLU A 97 -9.853 -10.530 13.867 1.00 0.00 H new ATOM 0 HG2 GLU A 97 -10.970 -11.875 15.771 1.00 0.00 H new ATOM 0 HG3 GLU A 97 -10.213 -10.763 16.895 1.00 0.00 H new ATOM 1472 N LYS A 98 -7.893 -11.659 12.588 1.00 0.00 N ATOM 1473 CA LYS A 98 -6.943 -11.544 11.446 1.00 0.00 C ATOM 1474 C LYS A 98 -6.121 -10.261 11.589 1.00 0.00 C ATOM 1475 O LYS A 98 -6.440 -9.390 12.376 1.00 0.00 O ATOM 1476 CB LYS A 98 -7.726 -11.498 10.132 1.00 0.00 C ATOM 1477 CG LYS A 98 -8.455 -12.827 9.924 1.00 0.00 C ATOM 1478 CD LYS A 98 -9.158 -12.814 8.566 1.00 0.00 C ATOM 1479 CE LYS A 98 -10.056 -14.046 8.443 1.00 0.00 C ATOM 1480 NZ LYS A 98 -11.285 -13.692 7.677 1.00 0.00 N ATOM 0 H LYS A 98 -8.877 -11.730 12.330 1.00 0.00 H new ATOM 0 HA LYS A 98 -6.276 -12.406 11.445 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -8.443 -10.677 10.152 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -7.049 -11.309 9.299 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -7.747 -13.654 9.971 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -9.182 -12.984 10.721 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -9.752 -11.906 8.461 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -8.421 -12.807 7.763 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -9.520 -14.851 7.940 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -10.325 -14.413 9.433 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -11.895 -14.530 7.594 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -11.799 -12.937 8.175 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -11.019 -13.361 6.727 1.00 0.00 H new ATOM 1494 N ILE A 99 -5.063 -10.139 10.836 1.00 0.00 N ATOM 1495 CA ILE A 99 -4.218 -8.916 10.926 1.00 0.00 C ATOM 1496 C ILE A 99 -4.071 -8.295 9.535 1.00 0.00 C ATOM 1497 O ILE A 99 -3.827 -8.981 8.562 1.00 0.00 O ATOM 1498 CB ILE A 99 -2.837 -9.289 11.468 1.00 0.00 C ATOM 1499 CG1 ILE A 99 -2.987 -9.936 12.846 1.00 0.00 C ATOM 1500 CG2 ILE A 99 -1.978 -8.028 11.588 1.00 0.00 C ATOM 1501 CD1 ILE A 99 -1.638 -10.507 13.290 1.00 0.00 C ATOM 0 H ILE A 99 -4.747 -10.835 10.161 1.00 0.00 H new ATOM 0 HA ILE A 99 -4.688 -8.197 11.597 1.00 0.00 H new ATOM 0 HB ILE A 99 -2.358 -9.992 10.787 1.00 0.00 H new ATOM 0 HG12 ILE A 99 -3.338 -9.200 13.569 1.00 0.00 H new ATOM 0 HG13 ILE A 99 -3.735 -10.728 12.808 1.00 0.00 H new ATOM 0 HG21 ILE A 99 -0.994 -8.294 11.974 1.00 0.00 H new ATOM 0 HG22 ILE A 99 -1.870 -7.566 10.606 1.00 0.00 H new ATOM 0 HG23 ILE A 99 -2.457 -7.325 12.269 1.00 0.00 H new ATOM 0 HD11 ILE A 99 -1.744 -10.968 14.272 1.00 0.00 H new ATOM 0 HD12 ILE A 99 -1.306 -11.256 12.571 1.00 0.00 H new ATOM 0 HD13 ILE A 99 -0.903 -9.704 13.344 1.00 0.00 H new ATOM 1513 N ASP A 100 -4.218 -7.003 9.432 1.00 0.00 N ATOM 1514 CA ASP A 100 -4.087 -6.342 8.102 1.00 0.00 C ATOM 1515 C ASP A 100 -2.641 -5.886 7.897 1.00 0.00 C ATOM 1516 O ASP A 100 -2.080 -5.184 8.716 1.00 0.00 O ATOM 1517 CB ASP A 100 -5.017 -5.129 8.042 1.00 0.00 C ATOM 1518 CG ASP A 100 -4.994 -4.539 6.630 1.00 0.00 C ATOM 1519 OD1 ASP A 100 -5.681 -5.074 5.775 1.00 0.00 O ATOM 1520 OD2 ASP A 100 -4.290 -3.564 6.428 1.00 0.00 O ATOM 0 H ASP A 100 -4.423 -6.376 10.210 1.00 0.00 H new ATOM 0 HA ASP A 100 -4.359 -7.049 7.318 1.00 0.00 H new ATOM 0 HB2 ASP A 100 -6.032 -5.422 8.309 1.00 0.00 H new ATOM 0 HB3 ASP A 100 -4.701 -4.379 8.767 1.00 0.00 H new ATOM 1525 N TYR A 101 -2.033 -6.280 6.812 1.00 0.00 N ATOM 1526 CA TYR A 101 -0.624 -5.868 6.555 1.00 0.00 C ATOM 1527 C TYR A 101 -0.559 -5.048 5.265 1.00 0.00 C ATOM 1528 O TYR A 101 -1.224 -5.348 4.293 1.00 0.00 O ATOM 1529 CB TYR A 101 0.255 -7.112 6.412 1.00 0.00 C ATOM 1530 CG TYR A 101 0.442 -7.755 7.766 1.00 0.00 C ATOM 1531 CD1 TYR A 101 1.436 -7.283 8.631 1.00 0.00 C ATOM 1532 CD2 TYR A 101 -0.378 -8.821 8.155 1.00 0.00 C ATOM 1533 CE1 TYR A 101 1.609 -7.878 9.886 1.00 0.00 C ATOM 1534 CE2 TYR A 101 -0.204 -9.415 9.410 1.00 0.00 C ATOM 1535 CZ TYR A 101 0.790 -8.944 10.276 1.00 0.00 C ATOM 1536 OH TYR A 101 0.961 -9.530 11.514 1.00 0.00 O ATOM 0 H TYR A 101 -2.451 -6.870 6.092 1.00 0.00 H new ATOM 0 HA TYR A 101 -0.266 -5.264 7.389 1.00 0.00 H new ATOM 0 HB2 TYR A 101 -0.206 -7.819 5.722 1.00 0.00 H new ATOM 0 HB3 TYR A 101 1.222 -6.840 5.990 1.00 0.00 H new ATOM 0 HD1 TYR A 101 2.069 -6.461 8.330 1.00 0.00 H new ATOM 0 HD2 TYR A 101 -1.145 -9.185 7.487 1.00 0.00 H new ATOM 0 HE1 TYR A 101 2.375 -7.514 10.554 1.00 0.00 H new ATOM 0 HE2 TYR A 101 -0.837 -10.237 9.711 1.00 0.00 H new ATOM 0 HH TYR A 101 1.514 -8.949 12.077 1.00 0.00 H new ATOM 1546 N GLU A 102 0.238 -4.015 5.246 1.00 0.00 N ATOM 1547 CA GLU A 102 0.345 -3.178 4.017 1.00 0.00 C ATOM 1548 C GLU A 102 1.821 -2.937 3.691 1.00 0.00 C ATOM 1549 O GLU A 102 2.624 -2.670 4.563 1.00 0.00 O ATOM 1550 CB GLU A 102 -0.350 -1.836 4.252 1.00 0.00 C ATOM 1551 CG GLU A 102 -1.835 -2.072 4.536 1.00 0.00 C ATOM 1552 CD GLU A 102 -2.561 -0.727 4.596 1.00 0.00 C ATOM 1553 OE1 GLU A 102 -1.889 0.290 4.567 1.00 0.00 O ATOM 1554 OE2 GLU A 102 -3.780 -0.737 4.668 1.00 0.00 O ATOM 0 H GLU A 102 0.820 -3.714 6.028 1.00 0.00 H new ATOM 0 HA GLU A 102 -0.132 -3.694 3.184 1.00 0.00 H new ATOM 0 HB2 GLU A 102 0.113 -1.317 5.091 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -0.233 -1.196 3.377 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -2.270 -2.698 3.757 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -1.956 -2.605 5.479 1.00 0.00 H new ATOM 1561 N THR A 103 2.184 -3.028 2.440 1.00 0.00 N ATOM 1562 CA THR A 103 3.607 -2.802 2.060 1.00 0.00 C ATOM 1563 C THR A 103 3.675 -1.756 0.945 1.00 0.00 C ATOM 1564 O THR A 103 2.938 -1.813 -0.020 1.00 0.00 O ATOM 1565 CB THR A 103 4.218 -4.115 1.564 1.00 0.00 C ATOM 1566 OG1 THR A 103 4.042 -5.120 2.554 1.00 0.00 O ATOM 1567 CG2 THR A 103 5.710 -3.916 1.294 1.00 0.00 C ATOM 0 H THR A 103 1.557 -3.249 1.666 1.00 0.00 H new ATOM 0 HA THR A 103 4.163 -2.447 2.928 1.00 0.00 H new ATOM 0 HB THR A 103 3.724 -4.422 0.642 1.00 0.00 H new ATOM 0 HG1 THR A 103 4.431 -5.962 2.238 1.00 0.00 H new ATOM 0 HG21 THR A 103 6.144 -4.852 0.941 1.00 0.00 H new ATOM 0 HG22 THR A 103 5.843 -3.145 0.535 1.00 0.00 H new ATOM 0 HG23 THR A 103 6.208 -3.609 2.214 1.00 0.00 H new ATOM 1575 N LYS A 104 4.553 -0.799 1.069 1.00 0.00 N ATOM 1576 CA LYS A 104 4.665 0.249 0.015 1.00 0.00 C ATOM 1577 C LYS A 104 6.133 0.421 -0.380 1.00 0.00 C ATOM 1578 O LYS A 104 7.004 0.540 0.459 1.00 0.00 O ATOM 1579 CB LYS A 104 4.126 1.574 0.556 1.00 0.00 C ATOM 1580 CG LYS A 104 4.139 2.624 -0.557 1.00 0.00 C ATOM 1581 CD LYS A 104 3.645 3.961 -0.003 1.00 0.00 C ATOM 1582 CE LYS A 104 3.547 4.981 -1.141 1.00 0.00 C ATOM 1583 NZ LYS A 104 3.988 6.317 -0.651 1.00 0.00 N ATOM 0 H LYS A 104 5.197 -0.697 1.853 1.00 0.00 H new ATOM 0 HA LYS A 104 4.086 -0.051 -0.858 1.00 0.00 H new ATOM 0 HB2 LYS A 104 3.112 1.440 0.932 1.00 0.00 H new ATOM 0 HB3 LYS A 104 4.735 1.911 1.395 1.00 0.00 H new ATOM 0 HG2 LYS A 104 5.147 2.734 -0.956 1.00 0.00 H new ATOM 0 HG3 LYS A 104 3.503 2.303 -1.382 1.00 0.00 H new ATOM 0 HD2 LYS A 104 2.671 3.833 0.470 1.00 0.00 H new ATOM 0 HD3 LYS A 104 4.328 4.323 0.766 1.00 0.00 H new ATOM 0 HE2 LYS A 104 4.168 4.666 -1.980 1.00 0.00 H new ATOM 0 HE3 LYS A 104 2.522 5.036 -1.507 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 3.349 7.050 -1.019 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 3.967 6.330 0.389 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 4.956 6.505 -0.980 1.00 0.00 H new ATOM 1597 N LEU A 105 6.416 0.437 -1.654 1.00 0.00 N ATOM 1598 CA LEU A 105 7.826 0.603 -2.104 1.00 0.00 C ATOM 1599 C LEU A 105 8.010 2.001 -2.696 1.00 0.00 C ATOM 1600 O LEU A 105 7.313 2.397 -3.609 1.00 0.00 O ATOM 1601 CB LEU A 105 8.150 -0.449 -3.168 1.00 0.00 C ATOM 1602 CG LEU A 105 9.210 -1.411 -2.629 1.00 0.00 C ATOM 1603 CD1 LEU A 105 8.799 -1.898 -1.238 1.00 0.00 C ATOM 1604 CD2 LEU A 105 9.335 -2.610 -3.571 1.00 0.00 C ATOM 0 H LEU A 105 5.730 0.342 -2.403 1.00 0.00 H new ATOM 0 HA LEU A 105 8.496 0.477 -1.254 1.00 0.00 H new ATOM 0 HB2 LEU A 105 7.248 -0.999 -3.437 1.00 0.00 H new ATOM 0 HB3 LEU A 105 8.511 0.035 -4.075 1.00 0.00 H new ATOM 0 HG LEU A 105 10.168 -0.896 -2.565 1.00 0.00 H new ATOM 0 HD11 LEU A 105 9.555 -2.583 -0.854 1.00 0.00 H new ATOM 0 HD12 LEU A 105 8.708 -1.045 -0.566 1.00 0.00 H new ATOM 0 HD13 LEU A 105 7.841 -2.413 -1.301 1.00 0.00 H new ATOM 0 HD21 LEU A 105 10.090 -3.296 -3.188 1.00 0.00 H new ATOM 0 HD22 LEU A 105 8.376 -3.124 -3.635 1.00 0.00 H new ATOM 0 HD23 LEU A 105 9.628 -2.265 -4.562 1.00 0.00 H new ATOM 1616 N VAL A 106 8.943 2.755 -2.182 1.00 0.00 N ATOM 1617 CA VAL A 106 9.169 4.128 -2.714 1.00 0.00 C ATOM 1618 C VAL A 106 10.662 4.334 -2.977 1.00 0.00 C ATOM 1619 O VAL A 106 11.504 3.855 -2.243 1.00 0.00 O ATOM 1620 CB VAL A 106 8.683 5.157 -1.692 1.00 0.00 C ATOM 1621 CG1 VAL A 106 8.791 6.561 -2.290 1.00 0.00 C ATOM 1622 CG2 VAL A 106 7.224 4.868 -1.331 1.00 0.00 C ATOM 0 H VAL A 106 9.558 2.479 -1.417 1.00 0.00 H new ATOM 0 HA VAL A 106 8.616 4.253 -3.645 1.00 0.00 H new ATOM 0 HB VAL A 106 9.299 5.096 -0.795 1.00 0.00 H new ATOM 0 HG11 VAL A 106 8.445 7.294 -1.562 1.00 0.00 H new ATOM 0 HG12 VAL A 106 9.830 6.768 -2.547 1.00 0.00 H new ATOM 0 HG13 VAL A 106 8.176 6.623 -3.188 1.00 0.00 H new ATOM 0 HG21 VAL A 106 6.877 5.601 -0.603 1.00 0.00 H new ATOM 0 HG22 VAL A 106 6.608 4.929 -2.228 1.00 0.00 H new ATOM 0 HG23 VAL A 106 7.146 3.868 -0.904 1.00 0.00 H new ATOM 1632 N SER A 107 10.998 5.045 -4.019 1.00 0.00 N ATOM 1633 CA SER A 107 12.436 5.282 -4.328 1.00 0.00 C ATOM 1634 C SER A 107 12.786 6.742 -4.033 1.00 0.00 C ATOM 1635 O SER A 107 11.965 7.627 -4.171 1.00 0.00 O ATOM 1636 CB SER A 107 12.697 4.984 -5.805 1.00 0.00 C ATOM 1637 OG SER A 107 12.021 5.941 -6.608 1.00 0.00 O ATOM 0 H SER A 107 10.338 5.472 -4.669 1.00 0.00 H new ATOM 0 HA SER A 107 13.053 4.628 -3.712 1.00 0.00 H new ATOM 0 HB2 SER A 107 13.767 5.013 -6.009 1.00 0.00 H new ATOM 0 HB3 SER A 107 12.353 3.979 -6.051 1.00 0.00 H new ATOM 0 HG SER A 107 12.190 5.751 -7.555 1.00 0.00 H new ATOM 1643 N ALA A 108 13.997 7.002 -3.625 1.00 0.00 N ATOM 1644 CA ALA A 108 14.396 8.405 -3.322 1.00 0.00 C ATOM 1645 C ALA A 108 15.417 8.881 -4.357 1.00 0.00 C ATOM 1646 O ALA A 108 15.967 8.099 -5.106 1.00 0.00 O ATOM 1647 CB ALA A 108 15.018 8.468 -1.925 1.00 0.00 C ATOM 0 H ALA A 108 14.728 6.304 -3.488 1.00 0.00 H new ATOM 0 HA ALA A 108 13.517 9.048 -3.358 1.00 0.00 H new ATOM 0 HB1 ALA A 108 15.310 9.494 -1.703 1.00 0.00 H new ATOM 0 HB2 ALA A 108 14.290 8.130 -1.187 1.00 0.00 H new ATOM 0 HB3 ALA A 108 15.897 7.825 -1.889 1.00 0.00 H new ATOM 1653 N PRO A 109 15.672 10.198 -4.394 1.00 0.00 N ATOM 1654 CA PRO A 109 16.627 10.796 -5.336 1.00 0.00 C ATOM 1655 C PRO A 109 18.072 10.410 -5.004 1.00 0.00 C ATOM 1656 O PRO A 109 18.955 10.502 -5.833 1.00 0.00 O ATOM 1657 CB PRO A 109 16.429 12.299 -5.142 1.00 0.00 C ATOM 1658 CG PRO A 109 15.890 12.429 -3.758 1.00 0.00 C ATOM 1659 CD PRO A 109 15.049 11.208 -3.521 1.00 0.00 C ATOM 0 HA PRO A 109 16.457 10.459 -6.359 1.00 0.00 H new ATOM 0 HB2 PRO A 109 17.368 12.841 -5.255 1.00 0.00 H new ATOM 0 HB3 PRO A 109 15.736 12.706 -5.878 1.00 0.00 H new ATOM 0 HG2 PRO A 109 16.698 12.493 -3.030 1.00 0.00 H new ATOM 0 HG3 PRO A 109 15.296 13.337 -3.655 1.00 0.00 H new ATOM 0 HD2 PRO A 109 15.067 10.903 -2.475 1.00 0.00 H new ATOM 0 HD3 PRO A 109 14.005 11.380 -3.785 1.00 0.00 H new ATOM 1667 N HIS A 110 18.318 9.977 -3.797 1.00 0.00 N ATOM 1668 CA HIS A 110 19.703 9.586 -3.415 1.00 0.00 C ATOM 1669 C HIS A 110 20.099 8.316 -4.171 1.00 0.00 C ATOM 1670 O HIS A 110 21.261 7.979 -4.275 1.00 0.00 O ATOM 1671 CB HIS A 110 19.762 9.320 -1.909 1.00 0.00 C ATOM 1672 CG HIS A 110 19.462 10.589 -1.163 1.00 0.00 C ATOM 1673 ND1 HIS A 110 18.293 10.762 -0.439 1.00 0.00 N ATOM 1674 CD2 HIS A 110 20.168 11.758 -1.018 1.00 0.00 C ATOM 1675 CE1 HIS A 110 18.330 11.993 0.104 1.00 0.00 C ATOM 1676 NE2 HIS A 110 19.452 12.643 -0.217 1.00 0.00 N ATOM 0 H HIS A 110 17.620 9.878 -3.060 1.00 0.00 H new ATOM 0 HA HIS A 110 20.391 10.392 -3.669 1.00 0.00 H new ATOM 0 HB2 HIS A 110 19.043 8.547 -1.637 1.00 0.00 H new ATOM 0 HB3 HIS A 110 20.749 8.948 -1.633 1.00 0.00 H new ATOM 0 HD2 HIS A 110 21.133 11.960 -1.459 1.00 0.00 H new ATOM 0 HE1 HIS A 110 17.548 12.405 0.724 1.00 0.00 H new ATOM 0 HE2 HIS A 110 19.725 13.585 0.064 1.00 0.00 H new ATOM 1684 N GLY A 111 19.139 7.606 -4.698 1.00 0.00 N ATOM 1685 CA GLY A 111 19.459 6.358 -5.444 1.00 0.00 C ATOM 1686 C GLY A 111 18.968 5.150 -4.646 1.00 0.00 C ATOM 1687 O GLY A 111 18.717 4.092 -5.191 1.00 0.00 O ATOM 0 H GLY A 111 18.147 7.837 -4.644 1.00 0.00 H new ATOM 0 HA2 GLY A 111 18.985 6.376 -6.426 1.00 0.00 H new ATOM 0 HA3 GLY A 111 20.534 6.286 -5.610 1.00 0.00 H new ATOM 1691 N GLY A 112 18.828 5.296 -3.357 1.00 0.00 N ATOM 1692 CA GLY A 112 18.352 4.157 -2.524 1.00 0.00 C ATOM 1693 C GLY A 112 16.835 4.024 -2.663 1.00 0.00 C ATOM 1694 O GLY A 112 16.197 4.782 -3.366 1.00 0.00 O ATOM 0 H GLY A 112 19.023 6.156 -2.845 1.00 0.00 H new ATOM 0 HA2 GLY A 112 18.839 3.234 -2.838 1.00 0.00 H new ATOM 0 HA3 GLY A 112 18.620 4.319 -1.480 1.00 0.00 H new ATOM 1698 N THR A 113 16.250 3.065 -1.998 1.00 0.00 N ATOM 1699 CA THR A 113 14.774 2.885 -2.094 1.00 0.00 C ATOM 1700 C THR A 113 14.166 2.866 -0.691 1.00 0.00 C ATOM 1701 O THR A 113 14.572 2.102 0.162 1.00 0.00 O ATOM 1702 CB THR A 113 14.467 1.562 -2.798 1.00 0.00 C ATOM 1703 OG1 THR A 113 14.954 1.612 -4.132 1.00 0.00 O ATOM 1704 CG2 THR A 113 12.956 1.328 -2.814 1.00 0.00 C ATOM 0 H THR A 113 16.730 2.399 -1.393 1.00 0.00 H new ATOM 0 HA THR A 113 14.346 3.710 -2.663 1.00 0.00 H new ATOM 0 HB THR A 113 14.953 0.746 -2.264 1.00 0.00 H new ATOM 0 HG1 THR A 113 15.672 0.954 -4.243 1.00 0.00 H new ATOM 0 HG21 THR A 113 12.739 0.385 -3.316 1.00 0.00 H new ATOM 0 HG22 THR A 113 12.583 1.288 -1.791 1.00 0.00 H new ATOM 0 HG23 THR A 113 12.467 2.144 -3.347 1.00 0.00 H new ATOM 1712 N ILE A 114 13.191 3.699 -0.446 1.00 0.00 N ATOM 1713 CA ILE A 114 12.554 3.725 0.900 1.00 0.00 C ATOM 1714 C ILE A 114 11.338 2.796 0.899 1.00 0.00 C ATOM 1715 O ILE A 114 10.600 2.728 -0.064 1.00 0.00 O ATOM 1716 CB ILE A 114 12.109 5.153 1.226 1.00 0.00 C ATOM 1717 CG1 ILE A 114 13.297 6.104 1.081 1.00 0.00 C ATOM 1718 CG2 ILE A 114 11.584 5.207 2.663 1.00 0.00 C ATOM 1719 CD1 ILE A 114 12.809 7.550 1.190 1.00 0.00 C ATOM 0 H ILE A 114 12.809 4.362 -1.120 1.00 0.00 H new ATOM 0 HA ILE A 114 13.269 3.390 1.652 1.00 0.00 H new ATOM 0 HB ILE A 114 11.319 5.453 0.538 1.00 0.00 H new ATOM 0 HG12 ILE A 114 14.037 5.899 1.855 1.00 0.00 H new ATOM 0 HG13 ILE A 114 13.788 5.946 0.121 1.00 0.00 H new ATOM 0 HG21 ILE A 114 11.267 6.223 2.897 1.00 0.00 H new ATOM 0 HG22 ILE A 114 10.736 4.530 2.766 1.00 0.00 H new ATOM 0 HG23 ILE A 114 12.375 4.907 3.351 1.00 0.00 H new ATOM 0 HD11 ILE A 114 13.656 8.229 1.087 1.00 0.00 H new ATOM 0 HD12 ILE A 114 12.085 7.750 0.400 1.00 0.00 H new ATOM 0 HD13 ILE A 114 12.338 7.703 2.161 1.00 0.00 H new ATOM 1731 N ILE A 115 11.125 2.077 1.966 1.00 0.00 N ATOM 1732 CA ILE A 115 9.957 1.151 2.014 1.00 0.00 C ATOM 1733 C ILE A 115 9.138 1.414 3.279 1.00 0.00 C ATOM 1734 O ILE A 115 9.646 1.361 4.382 1.00 0.00 O ATOM 1735 CB ILE A 115 10.455 -0.295 2.022 1.00 0.00 C ATOM 1736 CG1 ILE A 115 11.364 -0.530 0.814 1.00 0.00 C ATOM 1737 CG2 ILE A 115 9.259 -1.247 1.953 1.00 0.00 C ATOM 1738 CD1 ILE A 115 12.086 -1.870 0.972 1.00 0.00 C ATOM 0 H ILE A 115 11.706 2.090 2.804 1.00 0.00 H new ATOM 0 HA ILE A 115 9.329 1.318 1.139 1.00 0.00 H new ATOM 0 HB ILE A 115 11.015 -0.480 2.939 1.00 0.00 H new ATOM 0 HG12 ILE A 115 10.775 -0.528 -0.103 1.00 0.00 H new ATOM 0 HG13 ILE A 115 12.090 0.279 0.729 1.00 0.00 H new ATOM 0 HG21 ILE A 115 9.614 -2.278 1.959 1.00 0.00 H new ATOM 0 HG22 ILE A 115 8.612 -1.081 2.814 1.00 0.00 H new ATOM 0 HG23 ILE A 115 8.698 -1.061 1.037 1.00 0.00 H new ATOM 0 HD11 ILE A 115 12.734 -2.038 0.112 1.00 0.00 H new ATOM 0 HD12 ILE A 115 12.687 -1.854 1.881 1.00 0.00 H new ATOM 0 HD13 ILE A 115 11.352 -2.673 1.036 1.00 0.00 H new ATOM 1750 N LYS A 116 7.872 1.690 3.127 1.00 0.00 N ATOM 1751 CA LYS A 116 7.014 1.948 4.319 1.00 0.00 C ATOM 1752 C LYS A 116 6.116 0.733 4.558 1.00 0.00 C ATOM 1753 O LYS A 116 5.554 0.175 3.637 1.00 0.00 O ATOM 1754 CB LYS A 116 6.150 3.185 4.068 1.00 0.00 C ATOM 1755 CG LYS A 116 7.053 4.407 3.882 1.00 0.00 C ATOM 1756 CD LYS A 116 6.190 5.661 3.721 1.00 0.00 C ATOM 1757 CE LYS A 116 7.094 6.880 3.528 1.00 0.00 C ATOM 1758 NZ LYS A 116 6.445 7.835 2.587 1.00 0.00 N ATOM 0 H LYS A 116 7.394 1.748 2.228 1.00 0.00 H new ATOM 0 HA LYS A 116 7.640 2.120 5.195 1.00 0.00 H new ATOM 0 HB2 LYS A 116 5.533 3.037 3.182 1.00 0.00 H new ATOM 0 HB3 LYS A 116 5.472 3.345 4.906 1.00 0.00 H new ATOM 0 HG2 LYS A 116 7.716 4.517 4.741 1.00 0.00 H new ATOM 0 HG3 LYS A 116 7.687 4.274 3.005 1.00 0.00 H new ATOM 0 HD2 LYS A 116 5.524 5.550 2.866 1.00 0.00 H new ATOM 0 HD3 LYS A 116 5.560 5.797 4.600 1.00 0.00 H new ATOM 0 HE2 LYS A 116 7.278 7.365 4.487 1.00 0.00 H new ATOM 0 HE3 LYS A 116 8.063 6.569 3.137 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 7.059 8.664 2.455 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 6.291 7.369 1.670 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 5.531 8.140 2.978 1.00 0.00 H new ATOM 1772 N THR A 117 5.979 0.312 5.786 1.00 0.00 N ATOM 1773 CA THR A 117 5.122 -0.874 6.070 1.00 0.00 C ATOM 1774 C THR A 117 4.118 -0.542 7.175 1.00 0.00 C ATOM 1775 O THR A 117 4.480 -0.101 8.249 1.00 0.00 O ATOM 1776 CB THR A 117 6.004 -2.042 6.519 1.00 0.00 C ATOM 1777 OG1 THR A 117 6.962 -2.324 5.509 1.00 0.00 O ATOM 1778 CG2 THR A 117 5.134 -3.276 6.761 1.00 0.00 C ATOM 0 H THR A 117 6.421 0.736 6.602 1.00 0.00 H new ATOM 0 HA THR A 117 4.580 -1.148 5.165 1.00 0.00 H new ATOM 0 HB THR A 117 6.518 -1.777 7.443 1.00 0.00 H new ATOM 0 HG1 THR A 117 7.529 -3.070 5.795 1.00 0.00 H new ATOM 0 HG21 THR A 117 5.762 -4.107 7.081 1.00 0.00 H new ATOM 0 HG22 THR A 117 4.400 -3.057 7.536 1.00 0.00 H new ATOM 0 HG23 THR A 117 4.619 -3.544 5.839 1.00 0.00 H new ATOM 1786 N THR A 118 2.856 -0.762 6.922 1.00 0.00 N ATOM 1787 CA THR A 118 1.822 -0.473 7.956 1.00 0.00 C ATOM 1788 C THR A 118 1.077 -1.768 8.284 1.00 0.00 C ATOM 1789 O THR A 118 0.758 -2.547 7.408 1.00 0.00 O ATOM 1790 CB THR A 118 0.835 0.565 7.417 1.00 0.00 C ATOM 1791 OG1 THR A 118 1.555 1.659 6.866 1.00 0.00 O ATOM 1792 CG2 THR A 118 -0.059 1.061 8.555 1.00 0.00 C ATOM 0 H THR A 118 2.496 -1.130 6.042 1.00 0.00 H new ATOM 0 HA THR A 118 2.296 -0.081 8.856 1.00 0.00 H new ATOM 0 HB THR A 118 0.216 0.111 6.644 1.00 0.00 H new ATOM 0 HG1 THR A 118 0.924 2.324 6.519 1.00 0.00 H new ATOM 0 HG21 THR A 118 -0.762 1.800 8.170 1.00 0.00 H new ATOM 0 HG22 THR A 118 -0.611 0.221 8.977 1.00 0.00 H new ATOM 0 HG23 THR A 118 0.558 1.516 9.330 1.00 0.00 H new ATOM 1800 N SER A 119 0.802 -2.013 9.536 1.00 0.00 N ATOM 1801 CA SER A 119 0.086 -3.267 9.901 1.00 0.00 C ATOM 1802 C SER A 119 -0.990 -2.976 10.949 1.00 0.00 C ATOM 1803 O SER A 119 -0.836 -2.113 11.791 1.00 0.00 O ATOM 1804 CB SER A 119 1.087 -4.275 10.471 1.00 0.00 C ATOM 1805 OG SER A 119 0.421 -5.500 10.744 1.00 0.00 O ATOM 0 H SER A 119 1.041 -1.403 10.318 1.00 0.00 H new ATOM 0 HA SER A 119 -0.388 -3.677 9.009 1.00 0.00 H new ATOM 0 HB2 SER A 119 1.898 -4.440 9.761 1.00 0.00 H new ATOM 0 HB3 SER A 119 1.536 -3.882 11.383 1.00 0.00 H new ATOM 0 HG SER A 119 0.951 -6.246 10.393 1.00 0.00 H new ATOM 1811 N LYS A 120 -2.075 -3.700 10.904 1.00 0.00 N ATOM 1812 CA LYS A 120 -3.165 -3.487 11.896 1.00 0.00 C ATOM 1813 C LYS A 120 -3.552 -4.837 12.503 1.00 0.00 C ATOM 1814 O LYS A 120 -3.541 -5.853 11.837 1.00 0.00 O ATOM 1815 CB LYS A 120 -4.382 -2.874 11.198 1.00 0.00 C ATOM 1816 CG LYS A 120 -3.992 -1.528 10.580 1.00 0.00 C ATOM 1817 CD LYS A 120 -5.226 -0.886 9.942 1.00 0.00 C ATOM 1818 CE LYS A 120 -4.810 0.378 9.186 1.00 0.00 C ATOM 1819 NZ LYS A 120 -6.028 1.118 8.748 1.00 0.00 N ATOM 0 H LYS A 120 -2.253 -4.434 10.218 1.00 0.00 H new ATOM 0 HA LYS A 120 -2.824 -2.811 12.680 1.00 0.00 H new ATOM 0 HB2 LYS A 120 -4.749 -3.549 10.425 1.00 0.00 H new ATOM 0 HB3 LYS A 120 -5.194 -2.737 11.913 1.00 0.00 H new ATOM 0 HG2 LYS A 120 -3.580 -0.870 11.345 1.00 0.00 H new ATOM 0 HG3 LYS A 120 -3.214 -1.671 9.830 1.00 0.00 H new ATOM 0 HD2 LYS A 120 -5.704 -1.590 9.260 1.00 0.00 H new ATOM 0 HD3 LYS A 120 -5.959 -0.639 10.710 1.00 0.00 H new ATOM 0 HE2 LYS A 120 -4.197 1.012 9.826 1.00 0.00 H new ATOM 0 HE3 LYS A 120 -4.201 0.114 8.321 1.00 0.00 H new ATOM 0 HZ1 LYS A 120 -5.746 1.977 8.234 1.00 0.00 H new ATOM 0 HZ2 LYS A 120 -6.597 0.512 8.123 1.00 0.00 H new ATOM 0 HZ3 LYS A 120 -6.592 1.382 9.581 1.00 0.00 H new ATOM 1833 N TYR A 121 -3.887 -4.862 13.765 1.00 0.00 N ATOM 1834 CA TYR A 121 -4.264 -6.154 14.405 1.00 0.00 C ATOM 1835 C TYR A 121 -5.701 -6.071 14.926 1.00 0.00 C ATOM 1836 O TYR A 121 -6.062 -5.152 15.634 1.00 0.00 O ATOM 1837 CB TYR A 121 -3.315 -6.440 15.569 1.00 0.00 C ATOM 1838 CG TYR A 121 -1.886 -6.354 15.087 1.00 0.00 C ATOM 1839 CD1 TYR A 121 -1.260 -7.484 14.548 1.00 0.00 C ATOM 1840 CD2 TYR A 121 -1.188 -5.144 15.178 1.00 0.00 C ATOM 1841 CE1 TYR A 121 0.064 -7.405 14.101 1.00 0.00 C ATOM 1842 CE2 TYR A 121 0.136 -5.065 14.730 1.00 0.00 C ATOM 1843 CZ TYR A 121 0.762 -6.195 14.192 1.00 0.00 C ATOM 1844 OH TYR A 121 2.068 -6.117 13.751 1.00 0.00 O ATOM 0 H TYR A 121 -3.916 -4.047 14.378 1.00 0.00 H new ATOM 0 HA TYR A 121 -4.193 -6.956 13.670 1.00 0.00 H new ATOM 0 HB2 TYR A 121 -3.482 -5.723 16.373 1.00 0.00 H new ATOM 0 HB3 TYR A 121 -3.513 -7.431 15.978 1.00 0.00 H new ATOM 0 HD1 TYR A 121 -1.799 -8.417 14.477 1.00 0.00 H new ATOM 0 HD2 TYR A 121 -1.671 -4.272 15.594 1.00 0.00 H new ATOM 0 HE1 TYR A 121 0.547 -8.277 13.686 1.00 0.00 H new ATOM 0 HE2 TYR A 121 0.675 -4.131 14.800 1.00 0.00 H new ATOM 0 HH TYR A 121 2.405 -5.206 13.885 1.00 0.00 H new ATOM 1854 N HIS A 122 -6.522 -7.027 14.584 1.00 0.00 N ATOM 1855 CA HIS A 122 -7.933 -7.006 15.063 1.00 0.00 C ATOM 1856 C HIS A 122 -8.060 -7.887 16.307 1.00 0.00 C ATOM 1857 O HIS A 122 -7.449 -8.933 16.403 1.00 0.00 O ATOM 1858 CB HIS A 122 -8.853 -7.541 13.964 1.00 0.00 C ATOM 1859 CG HIS A 122 -8.800 -6.625 12.772 1.00 0.00 C ATOM 1860 ND1 HIS A 122 -7.907 -6.818 11.730 1.00 0.00 N ATOM 1861 CD2 HIS A 122 -9.526 -5.507 12.441 1.00 0.00 C ATOM 1862 CE1 HIS A 122 -8.115 -5.840 10.831 1.00 0.00 C ATOM 1863 NE2 HIS A 122 -9.091 -5.013 11.215 1.00 0.00 N ATOM 0 H HIS A 122 -6.276 -7.822 13.994 1.00 0.00 H new ATOM 0 HA HIS A 122 -8.219 -5.983 15.310 1.00 0.00 H new ATOM 0 HB2 HIS A 122 -8.546 -8.547 13.677 1.00 0.00 H new ATOM 0 HB3 HIS A 122 -9.875 -7.613 14.335 1.00 0.00 H new ATOM 0 HD1 HIS A 122 -7.217 -7.566 11.658 1.00 0.00 H new ATOM 0 HD2 HIS A 122 -10.314 -5.077 13.041 1.00 0.00 H new ATOM 0 HE1 HIS A 122 -7.560 -5.736 9.910 1.00 0.00 H new ATOM 1871 N THR A 123 -8.850 -7.475 17.262 1.00 0.00 N ATOM 1872 CA THR A 123 -9.014 -8.294 18.496 1.00 0.00 C ATOM 1873 C THR A 123 -10.383 -8.975 18.479 1.00 0.00 C ATOM 1874 O THR A 123 -11.355 -8.425 18.001 1.00 0.00 O ATOM 1875 CB THR A 123 -8.908 -7.391 19.728 1.00 0.00 C ATOM 1876 OG1 THR A 123 -9.946 -6.422 19.693 1.00 0.00 O ATOM 1877 CG2 THR A 123 -7.550 -6.688 19.733 1.00 0.00 C ATOM 0 H THR A 123 -9.388 -6.608 17.241 1.00 0.00 H new ATOM 0 HA THR A 123 -8.232 -9.052 18.534 1.00 0.00 H new ATOM 0 HB THR A 123 -9.004 -7.994 20.631 1.00 0.00 H new ATOM 0 HG1 THR A 123 -9.881 -5.844 20.482 1.00 0.00 H new ATOM 0 HG21 THR A 123 -7.476 -6.046 20.610 1.00 0.00 H new ATOM 0 HG22 THR A 123 -6.755 -7.433 19.761 1.00 0.00 H new ATOM 0 HG23 THR A 123 -7.450 -6.084 18.831 1.00 0.00 H new ATOM 2169 N ALA A 142 11.124 -6.913 9.577 1.00 0.00 N ATOM 2170 CA ALA A 142 12.260 -6.030 9.189 1.00 0.00 C ATOM 2171 C ALA A 142 13.496 -6.884 8.906 1.00 0.00 C ATOM 2172 O ALA A 142 14.244 -6.626 7.985 1.00 0.00 O ATOM 2173 CB ALA A 142 12.562 -5.057 10.330 1.00 0.00 C ATOM 0 HA ALA A 142 11.994 -5.468 8.293 1.00 0.00 H new ATOM 0 HB1 ALA A 142 13.393 -4.411 10.047 1.00 0.00 H new ATOM 0 HB2 ALA A 142 11.681 -4.448 10.531 1.00 0.00 H new ATOM 0 HB3 ALA A 142 12.828 -5.618 11.226 1.00 0.00 H new ATOM 2179 N HIS A 143 13.717 -7.902 9.693 1.00 0.00 N ATOM 2180 CA HIS A 143 14.907 -8.773 9.469 1.00 0.00 C ATOM 2181 C HIS A 143 14.820 -9.407 8.079 1.00 0.00 C ATOM 2182 O HIS A 143 15.791 -9.465 7.352 1.00 0.00 O ATOM 2183 CB HIS A 143 14.938 -9.874 10.530 1.00 0.00 C ATOM 2184 CG HIS A 143 16.183 -10.700 10.357 1.00 0.00 C ATOM 2185 ND1 HIS A 143 17.450 -10.181 10.571 1.00 0.00 N ATOM 2186 CD2 HIS A 143 16.371 -12.011 9.993 1.00 0.00 C ATOM 2187 CE1 HIS A 143 18.337 -11.166 10.335 1.00 0.00 C ATOM 2188 NE2 HIS A 143 17.732 -12.302 9.979 1.00 0.00 N ATOM 0 H HIS A 143 13.126 -8.168 10.481 1.00 0.00 H new ATOM 0 HA HIS A 143 15.815 -8.174 9.539 1.00 0.00 H new ATOM 0 HB2 HIS A 143 14.916 -9.434 11.527 1.00 0.00 H new ATOM 0 HB3 HIS A 143 14.054 -10.505 10.441 1.00 0.00 H new ATOM 0 HD2 HIS A 143 15.583 -12.710 9.754 1.00 0.00 H new ATOM 0 HE1 HIS A 143 19.407 -11.051 10.423 1.00 0.00 H new ATOM 0 HE2 HIS A 143 18.173 -13.192 9.747 1.00 0.00 H new ATOM 2196 N LEU A 144 13.664 -9.882 7.704 1.00 0.00 N ATOM 2197 CA LEU A 144 13.516 -10.512 6.363 1.00 0.00 C ATOM 2198 C LEU A 144 13.958 -9.522 5.282 1.00 0.00 C ATOM 2199 O LEU A 144 14.688 -9.865 4.373 1.00 0.00 O ATOM 2200 CB LEU A 144 12.053 -10.894 6.136 1.00 0.00 C ATOM 2201 CG LEU A 144 11.616 -11.902 7.200 1.00 0.00 C ATOM 2202 CD1 LEU A 144 10.180 -12.349 6.920 1.00 0.00 C ATOM 2203 CD2 LEU A 144 12.545 -13.117 7.163 1.00 0.00 C ATOM 0 H LEU A 144 12.815 -9.861 8.269 1.00 0.00 H new ATOM 0 HA LEU A 144 14.137 -11.407 6.313 1.00 0.00 H new ATOM 0 HB2 LEU A 144 11.423 -10.006 6.182 1.00 0.00 H new ATOM 0 HB3 LEU A 144 11.928 -11.322 5.141 1.00 0.00 H new ATOM 0 HG LEU A 144 11.666 -11.436 8.184 1.00 0.00 H new ATOM 0 HD11 LEU A 144 9.868 -13.067 7.678 1.00 0.00 H new ATOM 0 HD12 LEU A 144 9.518 -11.484 6.946 1.00 0.00 H new ATOM 0 HD13 LEU A 144 10.129 -12.815 5.936 1.00 0.00 H new ATOM 0 HD21 LEU A 144 12.234 -13.836 7.921 1.00 0.00 H new ATOM 0 HD22 LEU A 144 12.495 -13.583 6.179 1.00 0.00 H new ATOM 0 HD23 LEU A 144 13.568 -12.799 7.363 1.00 0.00 H new ATOM 2215 N PHE A 145 13.519 -8.297 5.371 1.00 0.00 N ATOM 2216 CA PHE A 145 13.912 -7.287 4.348 1.00 0.00 C ATOM 2217 C PHE A 145 15.438 -7.226 4.249 1.00 0.00 C ATOM 2218 O PHE A 145 15.992 -6.990 3.195 1.00 0.00 O ATOM 2219 CB PHE A 145 13.372 -5.914 4.752 1.00 0.00 C ATOM 2220 CG PHE A 145 11.871 -5.893 4.577 1.00 0.00 C ATOM 2221 CD1 PHE A 145 11.317 -5.697 3.306 1.00 0.00 C ATOM 2222 CD2 PHE A 145 11.035 -6.069 5.685 1.00 0.00 C ATOM 2223 CE1 PHE A 145 9.926 -5.677 3.144 1.00 0.00 C ATOM 2224 CE2 PHE A 145 9.645 -6.048 5.524 1.00 0.00 C ATOM 2225 CZ PHE A 145 9.091 -5.853 4.253 1.00 0.00 C ATOM 0 H PHE A 145 12.905 -7.951 6.108 1.00 0.00 H new ATOM 0 HA PHE A 145 13.497 -7.571 3.381 1.00 0.00 H new ATOM 0 HB2 PHE A 145 13.631 -5.700 5.789 1.00 0.00 H new ATOM 0 HB3 PHE A 145 13.831 -5.136 4.142 1.00 0.00 H new ATOM 0 HD1 PHE A 145 11.962 -5.561 2.451 1.00 0.00 H new ATOM 0 HD2 PHE A 145 11.463 -6.221 6.665 1.00 0.00 H new ATOM 0 HE1 PHE A 145 9.498 -5.526 2.164 1.00 0.00 H new ATOM 0 HE2 PHE A 145 9.000 -6.182 6.380 1.00 0.00 H new ATOM 0 HZ PHE A 145 8.018 -5.838 4.128 1.00 0.00 H new ATOM 2235 N LYS A 146 16.121 -7.437 5.341 1.00 0.00 N ATOM 2236 CA LYS A 146 17.611 -7.391 5.308 1.00 0.00 C ATOM 2237 C LYS A 146 18.140 -8.551 4.464 1.00 0.00 C ATOM 2238 O LYS A 146 19.082 -8.405 3.712 1.00 0.00 O ATOM 2239 CB LYS A 146 18.157 -7.504 6.732 1.00 0.00 C ATOM 2240 CG LYS A 146 19.682 -7.392 6.703 1.00 0.00 C ATOM 2241 CD LYS A 146 20.237 -7.601 8.113 1.00 0.00 C ATOM 2242 CE LYS A 146 21.745 -7.342 8.112 1.00 0.00 C ATOM 2243 NZ LYS A 146 22.465 -8.606 7.788 1.00 0.00 N ATOM 0 H LYS A 146 15.713 -7.639 6.254 1.00 0.00 H new ATOM 0 HA LYS A 146 17.935 -6.447 4.869 1.00 0.00 H new ATOM 0 HB2 LYS A 146 17.736 -6.717 7.358 1.00 0.00 H new ATOM 0 HB3 LYS A 146 17.860 -8.456 7.173 1.00 0.00 H new ATOM 0 HG2 LYS A 146 20.099 -8.135 6.023 1.00 0.00 H new ATOM 0 HG3 LYS A 146 19.978 -6.413 6.326 1.00 0.00 H new ATOM 0 HD2 LYS A 146 19.742 -6.928 8.813 1.00 0.00 H new ATOM 0 HD3 LYS A 146 20.032 -8.618 8.449 1.00 0.00 H new ATOM 0 HE2 LYS A 146 21.992 -6.572 7.381 1.00 0.00 H new ATOM 0 HE3 LYS A 146 22.062 -6.970 9.086 1.00 0.00 H new ATOM 0 HZ1 LYS A 146 23.490 -8.431 7.787 1.00 0.00 H new ATOM 0 HZ2 LYS A 146 22.238 -9.328 8.501 1.00 0.00 H new ATOM 0 HZ3 LYS A 146 22.170 -8.942 6.849 1.00 0.00 H new ATOM 2257 N LEU A 147 17.541 -9.704 4.582 1.00 0.00 N ATOM 2258 CA LEU A 147 18.013 -10.873 3.785 1.00 0.00 C ATOM 2259 C LEU A 147 17.804 -10.590 2.296 1.00 0.00 C ATOM 2260 O LEU A 147 18.671 -10.835 1.481 1.00 0.00 O ATOM 2261 CB LEU A 147 17.217 -12.118 4.185 1.00 0.00 C ATOM 2262 CG LEU A 147 17.683 -12.605 5.560 1.00 0.00 C ATOM 2263 CD1 LEU A 147 19.205 -12.754 5.559 1.00 0.00 C ATOM 2264 CD2 LEU A 147 17.270 -11.590 6.628 1.00 0.00 C ATOM 0 H LEU A 147 16.746 -9.888 5.195 1.00 0.00 H new ATOM 0 HA LEU A 147 19.072 -11.042 3.978 1.00 0.00 H new ATOM 0 HB2 LEU A 147 16.152 -11.888 4.211 1.00 0.00 H new ATOM 0 HB3 LEU A 147 17.355 -12.905 3.443 1.00 0.00 H new ATOM 0 HG LEU A 147 17.224 -13.569 5.779 1.00 0.00 H new ATOM 0 HD11 LEU A 147 19.537 -13.101 6.538 1.00 0.00 H new ATOM 0 HD12 LEU A 147 19.499 -13.477 4.799 1.00 0.00 H new ATOM 0 HD13 LEU A 147 19.665 -11.790 5.340 1.00 0.00 H new ATOM 0 HD21 LEU A 147 17.602 -11.936 7.607 1.00 0.00 H new ATOM 0 HD22 LEU A 147 17.729 -10.625 6.410 1.00 0.00 H new ATOM 0 HD23 LEU A 147 16.185 -11.484 6.629 1.00 0.00 H new ATOM 2276 N ILE A 148 16.660 -10.077 1.935 1.00 0.00 N ATOM 2277 CA ILE A 148 16.398 -9.779 0.499 1.00 0.00 C ATOM 2278 C ILE A 148 17.477 -8.830 -0.026 1.00 0.00 C ATOM 2279 O ILE A 148 18.150 -9.116 -0.995 1.00 0.00 O ATOM 2280 CB ILE A 148 15.024 -9.123 0.355 1.00 0.00 C ATOM 2281 CG1 ILE A 148 13.950 -10.064 0.904 1.00 0.00 C ATOM 2282 CG2 ILE A 148 14.748 -8.840 -1.123 1.00 0.00 C ATOM 2283 CD1 ILE A 148 12.599 -9.345 0.913 1.00 0.00 C ATOM 0 H ILE A 148 15.896 -9.851 2.572 1.00 0.00 H new ATOM 0 HA ILE A 148 16.417 -10.705 -0.075 1.00 0.00 H new ATOM 0 HB ILE A 148 15.007 -8.187 0.914 1.00 0.00 H new ATOM 0 HG12 ILE A 148 13.891 -10.963 0.291 1.00 0.00 H new ATOM 0 HG13 ILE A 148 14.211 -10.382 1.913 1.00 0.00 H new ATOM 0 HG21 ILE A 148 13.769 -8.372 -1.227 1.00 0.00 H new ATOM 0 HG22 ILE A 148 15.514 -8.170 -1.514 1.00 0.00 H new ATOM 0 HG23 ILE A 148 14.765 -9.776 -1.682 1.00 0.00 H new ATOM 0 HD11 ILE A 148 11.833 -10.015 1.304 1.00 0.00 H new ATOM 0 HD12 ILE A 148 12.663 -8.459 1.544 1.00 0.00 H new ATOM 0 HD13 ILE A 148 12.338 -9.049 -0.103 1.00 0.00 H new ATOM 2295 N GLU A 149 17.647 -7.701 0.608 1.00 0.00 N ATOM 2296 CA GLU A 149 18.684 -6.738 0.142 1.00 0.00 C ATOM 2297 C GLU A 149 20.037 -7.446 0.069 1.00 0.00 C ATOM 2298 O GLU A 149 20.839 -7.185 -0.805 1.00 0.00 O ATOM 2299 CB GLU A 149 18.773 -5.568 1.123 1.00 0.00 C ATOM 2300 CG GLU A 149 19.697 -4.492 0.550 1.00 0.00 C ATOM 2301 CD GLU A 149 19.926 -3.403 1.601 1.00 0.00 C ATOM 2302 OE1 GLU A 149 19.357 -3.515 2.675 1.00 0.00 O ATOM 2303 OE2 GLU A 149 20.665 -2.476 1.314 1.00 0.00 O ATOM 0 H GLU A 149 17.114 -7.405 1.426 1.00 0.00 H new ATOM 0 HA GLU A 149 18.415 -6.363 -0.845 1.00 0.00 H new ATOM 0 HB2 GLU A 149 17.781 -5.153 1.302 1.00 0.00 H new ATOM 0 HB3 GLU A 149 19.152 -5.914 2.085 1.00 0.00 H new ATOM 0 HG2 GLU A 149 20.649 -4.934 0.256 1.00 0.00 H new ATOM 0 HG3 GLU A 149 19.256 -4.059 -0.348 1.00 0.00 H new ATOM 2310 N GLY A 150 20.296 -8.344 0.980 1.00 0.00 N ATOM 2311 CA GLY A 150 21.596 -9.071 0.960 1.00 0.00 C ATOM 2312 C GLY A 150 21.607 -10.058 -0.208 1.00 0.00 C ATOM 2313 O GLY A 150 22.641 -10.360 -0.770 1.00 0.00 O ATOM 0 H GLY A 150 19.664 -8.605 1.737 1.00 0.00 H new ATOM 0 HA2 GLY A 150 22.419 -8.364 0.861 1.00 0.00 H new ATOM 0 HA3 GLY A 150 21.743 -9.602 1.901 1.00 0.00 H new ATOM 2317 N TYR A 151 20.461 -10.560 -0.580 1.00 0.00 N ATOM 2318 CA TYR A 151 20.402 -11.526 -1.713 1.00 0.00 C ATOM 2319 C TYR A 151 20.716 -10.796 -3.020 1.00 0.00 C ATOM 2320 O TYR A 151 21.483 -11.268 -3.838 1.00 0.00 O ATOM 2321 CB TYR A 151 18.998 -12.135 -1.793 1.00 0.00 C ATOM 2322 CG TYR A 151 18.790 -13.114 -0.654 1.00 0.00 C ATOM 2323 CD1 TYR A 151 19.724 -13.201 0.388 1.00 0.00 C ATOM 2324 CD2 TYR A 151 17.657 -13.937 -0.645 1.00 0.00 C ATOM 2325 CE1 TYR A 151 19.523 -14.107 1.436 1.00 0.00 C ATOM 2326 CE2 TYR A 151 17.457 -14.844 0.403 1.00 0.00 C ATOM 2327 CZ TYR A 151 18.391 -14.929 1.443 1.00 0.00 C ATOM 2328 OH TYR A 151 18.194 -15.823 2.476 1.00 0.00 O ATOM 0 H TYR A 151 19.563 -10.343 -0.148 1.00 0.00 H new ATOM 0 HA TYR A 151 21.133 -12.319 -1.554 1.00 0.00 H new ATOM 0 HB2 TYR A 151 18.248 -11.346 -1.746 1.00 0.00 H new ATOM 0 HB3 TYR A 151 18.867 -12.643 -2.748 1.00 0.00 H new ATOM 0 HD1 TYR A 151 20.599 -12.568 0.382 1.00 0.00 H new ATOM 0 HD2 TYR A 151 16.937 -13.872 -1.447 1.00 0.00 H new ATOM 0 HE1 TYR A 151 20.242 -14.171 2.239 1.00 0.00 H new ATOM 0 HE2 TYR A 151 16.583 -15.478 0.409 1.00 0.00 H new ATOM 0 HH TYR A 151 18.597 -15.469 3.296 1.00 0.00 H new ATOM 2338 N LEU A 152 20.132 -9.647 -3.225 1.00 0.00 N ATOM 2339 CA LEU A 152 20.399 -8.888 -4.479 1.00 0.00 C ATOM 2340 C LEU A 152 21.786 -8.247 -4.397 1.00 0.00 C ATOM 2341 O LEU A 152 22.596 -8.383 -5.292 1.00 0.00 O ATOM 2342 CB LEU A 152 19.339 -7.798 -4.651 1.00 0.00 C ATOM 2343 CG LEU A 152 17.981 -8.448 -4.926 1.00 0.00 C ATOM 2344 CD1 LEU A 152 17.421 -9.025 -3.624 1.00 0.00 C ATOM 2345 CD2 LEU A 152 17.013 -7.398 -5.476 1.00 0.00 C ATOM 0 H LEU A 152 19.481 -9.201 -2.578 1.00 0.00 H new ATOM 0 HA LEU A 152 20.361 -9.566 -5.332 1.00 0.00 H new ATOM 0 HB2 LEU A 152 19.285 -7.183 -3.753 1.00 0.00 H new ATOM 0 HB3 LEU A 152 19.611 -7.137 -5.474 1.00 0.00 H new ATOM 0 HG LEU A 152 18.102 -9.247 -5.657 1.00 0.00 H new ATOM 0 HD11 LEU A 152 16.454 -9.488 -3.818 1.00 0.00 H new ATOM 0 HD12 LEU A 152 18.110 -9.773 -3.232 1.00 0.00 H new ATOM 0 HD13 LEU A 152 17.300 -8.225 -2.894 1.00 0.00 H new ATOM 0 HD21 LEU A 152 16.046 -7.862 -5.672 1.00 0.00 H new ATOM 0 HD22 LEU A 152 16.891 -6.598 -4.746 1.00 0.00 H new ATOM 0 HD23 LEU A 152 17.412 -6.986 -6.403 1.00 0.00 H new