USER MOD reduce.3.24.130724 H: found=0, std=0, add=395, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 395 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 22 ASN : amide:sc= -0.171 K(o=-2.2,f=-3.4!) USER MOD Set 1.2: A 25 ASN : amide:sc= -2 K(o=-2.2,f=-4.2!) USER MOD Single : A 5 LYS NZ :NH3+ 141:sc= -1.36 (180deg=-3.86!) USER MOD Single : A 6 LYS NZ :NH3+ 150:sc= -0.123 (180deg=-0.68) USER MOD Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 10 ASN : amide:sc= -0.0332 X(o=-0.033,f=-0.00042) USER MOD Single : A 11 TYR OH : rot -16:sc= -0.954 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 15 LYS NZ :NH3+ -152:sc= -0.0998 (180deg=-0.791) USER MOD Single : A 17 GLN : amide:sc= -2.6 X(o=-2.6,f=-2.3) USER MOD Single : A 23 GLN : amide:sc= 0 X(o=0,f=-0.083) USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 LYS NZ :NH3+ 167:sc= 1.19 (180deg=0.967) USER MOD Single : A 32 LYS NZ :NH3+ -156:sc= 1.05 (180deg=0.629) USER MOD Single : A 33 HIS : no HD1:sc= 0 X(o=0,f=-0.033) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 41 TYR OH : rot 180:sc= -0.131 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 ASN : amide:sc= -1.44 K(o=-1.4,f=-4.9!) USER MOD Single : A 48 GLN : amide:sc= -0.409 X(o=-0.41,f=-0.054) USER MOD Single : A 53 TYR OH : rot -123:sc= 0.404 USER MOD ----------------------------------------------------------------- ATOM 52 N CYS A 4 7.263 -2.540 -1.799 1.00 0.00 N ATOM 53 CA CYS A 4 7.925 -3.596 -2.556 1.00 0.00 C ATOM 54 C CYS A 4 8.625 -3.026 -3.786 1.00 0.00 C ATOM 55 O CYS A 4 8.078 -2.174 -4.487 1.00 0.00 O ATOM 56 CB CYS A 4 6.911 -4.660 -2.979 1.00 0.00 C ATOM 57 SG CYS A 4 5.343 -3.983 -3.613 1.00 0.00 S ATOM 0 HA CYS A 4 8.676 -4.055 -1.913 1.00 0.00 H new ATOM 0 HB2 CYS A 4 7.360 -5.289 -3.748 1.00 0.00 H new ATOM 0 HB3 CYS A 4 6.698 -5.303 -2.125 1.00 0.00 H new ATOM 62 N LYS A 5 9.838 -3.502 -4.043 1.00 0.00 N ATOM 63 CA LYS A 5 10.614 -3.043 -5.189 1.00 0.00 C ATOM 64 C LYS A 5 11.822 -3.945 -5.425 1.00 0.00 C ATOM 65 O LYS A 5 12.100 -4.847 -4.635 1.00 0.00 O ATOM 66 CB LYS A 5 11.077 -1.600 -4.972 1.00 0.00 C ATOM 67 CG LYS A 5 11.823 -1.390 -3.666 1.00 0.00 C ATOM 68 CD LYS A 5 13.277 -1.815 -3.779 1.00 0.00 C ATOM 69 CE LYS A 5 14.217 -0.714 -3.314 1.00 0.00 C ATOM 70 NZ LYS A 5 15.473 -1.265 -2.733 1.00 0.00 N ATOM 0 H LYS A 5 10.306 -4.206 -3.473 1.00 0.00 H new ATOM 0 HA LYS A 5 9.974 -3.085 -6.070 1.00 0.00 H new ATOM 0 HB2 LYS A 5 11.722 -1.306 -5.800 1.00 0.00 H new ATOM 0 HB3 LYS A 5 10.209 -0.942 -4.995 1.00 0.00 H new ATOM 0 HG2 LYS A 5 11.771 -0.339 -3.382 1.00 0.00 H new ATOM 0 HG3 LYS A 5 11.337 -1.959 -2.873 1.00 0.00 H new ATOM 0 HD2 LYS A 5 13.442 -2.712 -3.182 1.00 0.00 H new ATOM 0 HD3 LYS A 5 13.502 -2.074 -4.814 1.00 0.00 H new ATOM 0 HE2 LYS A 5 14.460 -0.065 -4.155 1.00 0.00 H new ATOM 0 HE3 LYS A 5 13.713 -0.097 -2.570 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 16.278 -0.675 -3.024 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 15.403 -1.268 -1.695 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 15.616 -2.237 -3.074 1.00 0.00 H new ATOM 84 N LYS A 6 12.536 -3.695 -6.517 1.00 0.00 N ATOM 85 CA LYS A 6 13.716 -4.482 -6.856 1.00 0.00 C ATOM 86 C LYS A 6 14.768 -3.617 -7.544 1.00 0.00 C ATOM 87 O LYS A 6 14.570 -3.159 -8.669 1.00 0.00 O ATOM 88 CB LYS A 6 13.329 -5.652 -7.764 1.00 0.00 C ATOM 89 CG LYS A 6 12.561 -6.749 -7.048 1.00 0.00 C ATOM 90 CD LYS A 6 12.500 -8.020 -7.879 1.00 0.00 C ATOM 91 CE LYS A 6 13.285 -9.149 -7.230 1.00 0.00 C ATOM 92 NZ LYS A 6 12.772 -9.470 -5.869 1.00 0.00 N ATOM 0 H LYS A 6 12.318 -2.953 -7.183 1.00 0.00 H new ATOM 0 HA LYS A 6 14.141 -4.872 -5.931 1.00 0.00 H new ATOM 0 HB2 LYS A 6 12.724 -5.276 -8.589 1.00 0.00 H new ATOM 0 HB3 LYS A 6 14.233 -6.078 -8.199 1.00 0.00 H new ATOM 0 HG2 LYS A 6 13.036 -6.962 -6.090 1.00 0.00 H new ATOM 0 HG3 LYS A 6 11.549 -6.405 -6.832 1.00 0.00 H new ATOM 0 HD2 LYS A 6 11.461 -8.324 -8.005 1.00 0.00 H new ATOM 0 HD3 LYS A 6 12.898 -7.824 -8.875 1.00 0.00 H new ATOM 0 HE2 LYS A 6 13.229 -10.038 -7.858 1.00 0.00 H new ATOM 0 HE3 LYS A 6 14.337 -8.870 -7.165 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 12.932 -10.477 -5.666 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 13.272 -8.891 -5.164 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 11.753 -9.266 -5.825 1.00 0.00 H new ATOM 106 N VAL A 7 15.887 -3.399 -6.860 1.00 0.00 N ATOM 107 CA VAL A 7 16.971 -2.591 -7.406 1.00 0.00 C ATOM 108 C VAL A 7 17.715 -3.342 -8.505 1.00 0.00 C ATOM 109 O VAL A 7 17.910 -4.554 -8.421 1.00 0.00 O ATOM 110 CB VAL A 7 17.973 -2.182 -6.311 1.00 0.00 C ATOM 111 CG1 VAL A 7 19.156 -1.443 -6.917 1.00 0.00 C ATOM 112 CG2 VAL A 7 17.287 -1.330 -5.254 1.00 0.00 C ATOM 0 H VAL A 7 16.066 -3.771 -5.927 1.00 0.00 H new ATOM 0 HA VAL A 7 16.517 -1.693 -7.826 1.00 0.00 H new ATOM 0 HB VAL A 7 18.348 -3.086 -5.831 1.00 0.00 H new ATOM 0 HG11 VAL A 7 19.853 -1.162 -6.127 1.00 0.00 H new ATOM 0 HG12 VAL A 7 19.661 -2.091 -7.634 1.00 0.00 H new ATOM 0 HG13 VAL A 7 18.803 -0.546 -7.425 1.00 0.00 H new ATOM 0 HG21 VAL A 7 18.009 -1.050 -4.488 1.00 0.00 H new ATOM 0 HG22 VAL A 7 16.883 -0.430 -5.718 1.00 0.00 H new ATOM 0 HG23 VAL A 7 16.477 -1.899 -4.798 1.00 0.00 H new ATOM 122 N TYR A 8 18.129 -2.613 -9.536 1.00 0.00 N ATOM 123 CA TYR A 8 18.850 -3.209 -10.653 1.00 0.00 C ATOM 124 C TYR A 8 20.334 -2.858 -10.594 1.00 0.00 C ATOM 125 O TYR A 8 20.818 -2.032 -11.367 1.00 0.00 O ATOM 126 CB TYR A 8 18.256 -2.737 -11.982 1.00 0.00 C ATOM 127 CG TYR A 8 18.334 -3.772 -13.081 1.00 0.00 C ATOM 128 CD1 TYR A 8 19.302 -4.769 -13.057 1.00 0.00 C ATOM 129 CD2 TYR A 8 17.439 -3.754 -14.144 1.00 0.00 C ATOM 130 CE1 TYR A 8 19.378 -5.715 -14.061 1.00 0.00 C ATOM 131 CE2 TYR A 8 17.506 -4.697 -15.151 1.00 0.00 C ATOM 132 CZ TYR A 8 18.478 -5.675 -15.105 1.00 0.00 C ATOM 133 OH TYR A 8 18.549 -6.618 -16.106 1.00 0.00 O ATOM 0 H TYR A 8 17.977 -1.608 -9.621 1.00 0.00 H new ATOM 0 HA TYR A 8 18.748 -4.292 -10.581 1.00 0.00 H new ATOM 0 HB2 TYR A 8 17.213 -2.462 -11.827 1.00 0.00 H new ATOM 0 HB3 TYR A 8 18.779 -1.836 -12.305 1.00 0.00 H new ATOM 0 HD1 TYR A 8 20.007 -4.805 -12.240 1.00 0.00 H new ATOM 0 HD2 TYR A 8 16.678 -2.989 -14.183 1.00 0.00 H new ATOM 0 HE1 TYR A 8 20.138 -6.482 -14.028 1.00 0.00 H new ATOM 0 HE2 TYR A 8 16.802 -4.669 -15.969 1.00 0.00 H new ATOM 0 HH TYR A 8 17.843 -6.450 -16.765 1.00 0.00 H new ATOM 143 N GLU A 9 21.049 -3.492 -9.670 1.00 0.00 N ATOM 144 CA GLU A 9 22.477 -3.246 -9.509 1.00 0.00 C ATOM 145 C GLU A 9 23.209 -3.397 -10.840 1.00 0.00 C ATOM 146 O GLU A 9 24.265 -2.803 -11.050 1.00 0.00 O ATOM 147 CB GLU A 9 23.069 -4.209 -8.477 1.00 0.00 C ATOM 148 CG GLU A 9 22.358 -4.175 -7.135 1.00 0.00 C ATOM 149 CD GLU A 9 23.048 -5.027 -6.088 1.00 0.00 C ATOM 150 OE1 GLU A 9 24.108 -5.610 -6.400 1.00 0.00 O ATOM 151 OE2 GLU A 9 22.528 -5.111 -4.955 1.00 0.00 O ATOM 0 H GLU A 9 20.663 -4.179 -9.022 1.00 0.00 H new ATOM 0 HA GLU A 9 22.606 -2.222 -9.157 1.00 0.00 H new ATOM 0 HB2 GLU A 9 23.029 -5.223 -8.874 1.00 0.00 H new ATOM 0 HB3 GLU A 9 24.121 -3.966 -8.328 1.00 0.00 H new ATOM 0 HG2 GLU A 9 22.305 -3.145 -6.782 1.00 0.00 H new ATOM 0 HG3 GLU A 9 21.333 -4.522 -7.262 1.00 0.00 H new ATOM 158 N ASN A 10 22.638 -4.197 -11.735 1.00 0.00 N ATOM 159 CA ASN A 10 23.235 -4.428 -13.045 1.00 0.00 C ATOM 160 C ASN A 10 22.649 -3.477 -14.085 1.00 0.00 C ATOM 161 O ASN A 10 22.138 -3.910 -15.118 1.00 0.00 O ATOM 162 CB ASN A 10 23.015 -5.877 -13.481 1.00 0.00 C ATOM 163 CG ASN A 10 23.053 -6.844 -12.313 1.00 0.00 C ATOM 164 OD1 ASN A 10 22.137 -7.645 -12.127 1.00 0.00 O ATOM 165 ND2 ASN A 10 24.116 -6.773 -11.521 1.00 0.00 N ATOM 0 H ASN A 10 21.763 -4.696 -11.577 1.00 0.00 H new ATOM 0 HA ASN A 10 24.306 -4.238 -12.967 1.00 0.00 H new ATOM 0 HB2 ASN A 10 22.053 -5.959 -13.986 1.00 0.00 H new ATOM 0 HB3 ASN A 10 23.780 -6.156 -14.205 1.00 0.00 H new ATOM 0 HD21 ASN A 10 24.198 -7.399 -10.720 1.00 0.00 H new ATOM 0 HD22 ASN A 10 24.851 -6.093 -11.714 1.00 0.00 H new ATOM 172 N TYR A 11 22.729 -2.181 -13.805 1.00 0.00 N ATOM 173 CA TYR A 11 22.205 -1.169 -14.715 1.00 0.00 C ATOM 174 C TYR A 11 23.005 0.125 -14.608 1.00 0.00 C ATOM 175 O TYR A 11 23.420 0.542 -13.527 1.00 0.00 O ATOM 176 CB TYR A 11 20.730 -0.897 -14.413 1.00 0.00 C ATOM 177 CG TYR A 11 19.867 -0.802 -15.651 1.00 0.00 C ATOM 178 CD1 TYR A 11 19.576 -1.931 -16.407 1.00 0.00 C ATOM 179 CD2 TYR A 11 19.343 0.416 -16.065 1.00 0.00 C ATOM 180 CE1 TYR A 11 18.788 -1.849 -17.539 1.00 0.00 C ATOM 181 CE2 TYR A 11 18.553 0.507 -17.195 1.00 0.00 C ATOM 182 CZ TYR A 11 18.279 -0.628 -17.928 1.00 0.00 C ATOM 183 OH TYR A 11 17.493 -0.541 -19.055 1.00 0.00 O ATOM 0 H TYR A 11 23.151 -1.806 -12.956 1.00 0.00 H new ATOM 0 HA TYR A 11 22.297 -1.548 -15.733 1.00 0.00 H new ATOM 0 HB2 TYR A 11 20.346 -1.691 -13.773 1.00 0.00 H new ATOM 0 HB3 TYR A 11 20.648 0.033 -13.851 1.00 0.00 H new ATOM 0 HD1 TYR A 11 19.973 -2.889 -16.105 1.00 0.00 H new ATOM 0 HD2 TYR A 11 19.557 1.307 -15.494 1.00 0.00 H new ATOM 0 HE1 TYR A 11 18.572 -2.736 -18.116 1.00 0.00 H new ATOM 0 HE2 TYR A 11 18.152 1.462 -17.502 1.00 0.00 H new ATOM 0 HH TYR A 11 17.602 -1.353 -19.593 1.00 0.00 H new ATOM 193 N PRO A 12 23.227 0.778 -15.759 1.00 0.00 N ATOM 194 CA PRO A 12 23.977 2.036 -15.823 1.00 0.00 C ATOM 195 C PRO A 12 23.215 3.198 -15.197 1.00 0.00 C ATOM 196 O PRO A 12 22.088 3.500 -15.591 1.00 0.00 O ATOM 197 CB PRO A 12 24.160 2.264 -17.326 1.00 0.00 C ATOM 198 CG PRO A 12 23.026 1.534 -17.960 1.00 0.00 C ATOM 199 CD PRO A 12 22.762 0.339 -17.085 1.00 0.00 C ATOM 0 HA PRO A 12 24.914 1.980 -15.269 1.00 0.00 H new ATOM 0 HB2 PRO A 12 24.134 3.326 -17.572 1.00 0.00 H new ATOM 0 HB3 PRO A 12 25.120 1.880 -17.671 1.00 0.00 H new ATOM 0 HG2 PRO A 12 22.143 2.169 -18.030 1.00 0.00 H new ATOM 0 HG3 PRO A 12 23.278 1.227 -18.975 1.00 0.00 H new ATOM 0 HD2 PRO A 12 21.704 0.076 -17.073 1.00 0.00 H new ATOM 0 HD3 PRO A 12 23.306 -0.540 -17.431 1.00 0.00 H new ATOM 207 N VAL A 13 23.836 3.849 -14.218 1.00 0.00 N ATOM 208 CA VAL A 13 23.217 4.980 -13.538 1.00 0.00 C ATOM 209 C VAL A 13 22.988 6.141 -14.499 1.00 0.00 C ATOM 210 O VAL A 13 22.189 7.037 -14.227 1.00 0.00 O ATOM 211 CB VAL A 13 24.079 5.466 -12.358 1.00 0.00 C ATOM 212 CG1 VAL A 13 24.446 4.302 -11.450 1.00 0.00 C ATOM 213 CG2 VAL A 13 25.327 6.172 -12.866 1.00 0.00 C ATOM 0 H VAL A 13 24.768 3.612 -13.878 1.00 0.00 H new ATOM 0 HA VAL A 13 22.256 4.633 -13.157 1.00 0.00 H new ATOM 0 HB VAL A 13 23.498 6.180 -11.775 1.00 0.00 H new ATOM 0 HG11 VAL A 13 25.055 4.664 -10.622 1.00 0.00 H new ATOM 0 HG12 VAL A 13 23.537 3.845 -11.059 1.00 0.00 H new ATOM 0 HG13 VAL A 13 25.009 3.561 -12.018 1.00 0.00 H new ATOM 0 HG21 VAL A 13 25.925 6.509 -12.019 1.00 0.00 H new ATOM 0 HG22 VAL A 13 25.914 5.482 -13.473 1.00 0.00 H new ATOM 0 HG23 VAL A 13 25.038 7.031 -13.471 1.00 0.00 H new ATOM 223 N SER A 14 23.696 6.119 -15.624 1.00 0.00 N ATOM 224 CA SER A 14 23.574 7.173 -16.625 1.00 0.00 C ATOM 225 C SER A 14 22.173 7.188 -17.228 1.00 0.00 C ATOM 226 O SER A 14 21.508 8.223 -17.260 1.00 0.00 O ATOM 227 CB SER A 14 24.615 6.980 -17.728 1.00 0.00 C ATOM 228 OG SER A 14 25.502 8.083 -17.791 1.00 0.00 O ATOM 0 H SER A 14 24.360 5.383 -15.865 1.00 0.00 H new ATOM 0 HA SER A 14 23.750 8.130 -16.134 1.00 0.00 H new ATOM 0 HB2 SER A 14 25.179 6.066 -17.544 1.00 0.00 H new ATOM 0 HB3 SER A 14 24.114 6.857 -18.688 1.00 0.00 H new ATOM 0 HG SER A 14 26.159 7.934 -18.503 1.00 0.00 H new ATOM 234 N LYS A 15 21.730 6.030 -17.708 1.00 0.00 N ATOM 235 CA LYS A 15 20.407 5.907 -18.311 1.00 0.00 C ATOM 236 C LYS A 15 19.319 6.307 -17.320 1.00 0.00 C ATOM 237 O LYS A 15 18.212 6.676 -17.714 1.00 0.00 O ATOM 238 CB LYS A 15 20.174 4.472 -18.789 1.00 0.00 C ATOM 239 CG LYS A 15 20.305 4.304 -20.293 1.00 0.00 C ATOM 240 CD LYS A 15 19.591 3.054 -20.779 1.00 0.00 C ATOM 241 CE LYS A 15 20.551 2.095 -21.466 1.00 0.00 C ATOM 242 NZ LYS A 15 21.298 2.756 -22.571 1.00 0.00 N ATOM 0 H LYS A 15 22.268 5.163 -17.691 1.00 0.00 H new ATOM 0 HA LYS A 15 20.360 6.581 -19.167 1.00 0.00 H new ATOM 0 HB2 LYS A 15 20.887 3.813 -18.295 1.00 0.00 H new ATOM 0 HB3 LYS A 15 19.178 4.152 -18.481 1.00 0.00 H new ATOM 0 HG2 LYS A 15 19.891 5.179 -20.795 1.00 0.00 H new ATOM 0 HG3 LYS A 15 21.360 4.250 -20.563 1.00 0.00 H new ATOM 0 HD2 LYS A 15 19.117 2.553 -19.935 1.00 0.00 H new ATOM 0 HD3 LYS A 15 18.797 3.333 -21.471 1.00 0.00 H new ATOM 0 HE2 LYS A 15 21.257 1.702 -20.735 1.00 0.00 H new ATOM 0 HE3 LYS A 15 19.995 1.245 -21.861 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 21.555 2.048 -23.288 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 20.700 3.488 -23.005 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 22.162 3.195 -22.192 1.00 0.00 H new ATOM 256 N CYS A 16 19.640 6.233 -16.033 1.00 0.00 N ATOM 257 CA CYS A 16 18.690 6.588 -14.985 1.00 0.00 C ATOM 258 C CYS A 16 18.533 8.102 -14.884 1.00 0.00 C ATOM 259 O CYS A 16 17.418 8.622 -14.896 1.00 0.00 O ATOM 260 CB CYS A 16 19.147 6.020 -13.640 1.00 0.00 C ATOM 261 SG CYS A 16 18.398 4.413 -13.219 1.00 0.00 S ATOM 0 H CYS A 16 20.552 5.930 -15.690 1.00 0.00 H new ATOM 0 HA CYS A 16 17.723 6.157 -15.244 1.00 0.00 H new ATOM 0 HB2 CYS A 16 20.231 5.911 -13.653 1.00 0.00 H new ATOM 0 HB3 CYS A 16 18.908 6.737 -12.855 1.00 0.00 H new ATOM 266 N GLN A 17 19.659 8.802 -14.784 1.00 0.00 N ATOM 267 CA GLN A 17 19.646 10.257 -14.679 1.00 0.00 C ATOM 268 C GLN A 17 19.087 10.889 -15.949 1.00 0.00 C ATOM 269 O GLN A 17 18.743 12.072 -15.968 1.00 0.00 O ATOM 270 CB GLN A 17 21.058 10.782 -14.413 1.00 0.00 C ATOM 271 CG GLN A 17 21.600 10.403 -13.044 1.00 0.00 C ATOM 272 CD GLN A 17 22.832 9.523 -13.128 1.00 0.00 C ATOM 273 OE1 GLN A 17 23.626 9.634 -14.063 1.00 0.00 O ATOM 274 NE2 GLN A 17 22.998 8.642 -12.149 1.00 0.00 N ATOM 0 H GLN A 17 20.590 8.386 -14.773 1.00 0.00 H new ATOM 0 HA GLN A 17 19.001 10.531 -13.844 1.00 0.00 H new ATOM 0 HB2 GLN A 17 21.730 10.397 -15.180 1.00 0.00 H new ATOM 0 HB3 GLN A 17 21.056 11.868 -14.506 1.00 0.00 H new ATOM 0 HG2 GLN A 17 21.843 11.310 -12.490 1.00 0.00 H new ATOM 0 HG3 GLN A 17 20.824 9.883 -12.481 1.00 0.00 H new ATOM 0 HE21 GLN A 17 22.315 8.584 -11.394 1.00 0.00 H new ATOM 0 HE22 GLN A 17 23.809 8.023 -12.152 1.00 0.00 H new ATOM 283 N LEU A 18 18.998 10.094 -17.010 1.00 0.00 N ATOM 284 CA LEU A 18 18.480 10.576 -18.286 1.00 0.00 C ATOM 285 C LEU A 18 16.980 10.842 -18.199 1.00 0.00 C ATOM 286 O LEU A 18 16.168 10.007 -18.598 1.00 0.00 O ATOM 287 CB LEU A 18 18.765 9.558 -19.392 1.00 0.00 C ATOM 288 CG LEU A 18 20.033 9.798 -20.213 1.00 0.00 C ATOM 289 CD1 LEU A 18 20.487 8.510 -20.881 1.00 0.00 C ATOM 290 CD2 LEU A 18 19.797 10.885 -21.252 1.00 0.00 C ATOM 0 H LEU A 18 19.278 9.113 -17.012 1.00 0.00 H new ATOM 0 HA LEU A 18 18.984 11.513 -18.524 1.00 0.00 H new ATOM 0 HB2 LEU A 18 18.831 8.568 -18.940 1.00 0.00 H new ATOM 0 HB3 LEU A 18 17.913 9.542 -20.072 1.00 0.00 H new ATOM 0 HG LEU A 18 20.822 10.132 -19.539 1.00 0.00 H new ATOM 0 HD11 LEU A 18 21.390 8.700 -21.461 1.00 0.00 H new ATOM 0 HD12 LEU A 18 20.696 7.759 -20.119 1.00 0.00 H new ATOM 0 HD13 LEU A 18 19.701 8.147 -21.543 1.00 0.00 H new ATOM 0 HD21 LEU A 18 20.709 11.043 -21.827 1.00 0.00 H new ATOM 0 HD22 LEU A 18 18.994 10.579 -21.922 1.00 0.00 H new ATOM 0 HD23 LEU A 18 19.519 11.812 -20.752 1.00 0.00 H new ATOM 302 N ARG A 19 16.621 12.011 -17.678 1.00 0.00 N ATOM 303 CA ARG A 19 15.219 12.388 -17.541 1.00 0.00 C ATOM 304 C ARG A 19 14.548 12.492 -18.907 1.00 0.00 C ATOM 305 O ARG A 19 13.327 12.375 -19.020 1.00 0.00 O ATOM 306 CB ARG A 19 15.098 13.719 -16.798 1.00 0.00 C ATOM 307 CG ARG A 19 15.562 13.654 -15.352 1.00 0.00 C ATOM 308 CD ARG A 19 14.485 13.079 -14.446 1.00 0.00 C ATOM 309 NE ARG A 19 14.980 12.835 -13.094 1.00 0.00 N ATOM 310 CZ ARG A 19 15.700 11.772 -12.755 1.00 0.00 C ATOM 311 NH1 ARG A 19 16.008 10.859 -13.666 1.00 0.00 N ATOM 312 NH2 ARG A 19 16.114 11.620 -11.504 1.00 0.00 N ATOM 0 H ARG A 19 17.281 12.713 -17.344 1.00 0.00 H new ATOM 0 HA ARG A 19 14.714 11.612 -16.966 1.00 0.00 H new ATOM 0 HB2 ARG A 19 15.682 14.474 -17.325 1.00 0.00 H new ATOM 0 HB3 ARG A 19 14.059 14.046 -16.823 1.00 0.00 H new ATOM 0 HG2 ARG A 19 16.461 13.041 -15.285 1.00 0.00 H new ATOM 0 HG3 ARG A 19 15.831 14.653 -15.010 1.00 0.00 H new ATOM 0 HD2 ARG A 19 13.641 13.767 -14.404 1.00 0.00 H new ATOM 0 HD3 ARG A 19 14.115 12.146 -14.870 1.00 0.00 H new ATOM 0 HE ARG A 19 14.761 13.519 -12.370 1.00 0.00 H new ATOM 0 HH11 ARG A 19 15.692 10.973 -14.629 1.00 0.00 H new ATOM 0 HH12 ARG A 19 16.561 10.043 -13.404 1.00 0.00 H new ATOM 0 HH21 ARG A 19 15.879 12.320 -10.801 1.00 0.00 H new ATOM 0 HH22 ARG A 19 16.667 10.803 -11.246 1.00 0.00 H new ATOM 326 N ILE A 20 15.353 12.713 -19.941 1.00 0.00 N ATOM 327 CA ILE A 20 14.837 12.833 -21.299 1.00 0.00 C ATOM 328 C ILE A 20 14.500 11.464 -21.881 1.00 0.00 C ATOM 329 O ILE A 20 13.613 11.339 -22.726 1.00 0.00 O ATOM 330 CB ILE A 20 15.845 13.538 -22.224 1.00 0.00 C ATOM 331 CG1 ILE A 20 16.414 14.783 -21.541 1.00 0.00 C ATOM 332 CG2 ILE A 20 15.185 13.907 -23.544 1.00 0.00 C ATOM 333 CD1 ILE A 20 17.410 15.538 -22.392 1.00 0.00 C ATOM 0 H ILE A 20 16.365 12.813 -19.864 1.00 0.00 H new ATOM 0 HA ILE A 20 13.930 13.434 -21.240 1.00 0.00 H new ATOM 0 HB ILE A 20 16.667 12.852 -22.430 1.00 0.00 H new ATOM 0 HG12 ILE A 20 15.593 15.450 -21.279 1.00 0.00 H new ATOM 0 HG13 ILE A 20 16.895 14.488 -20.609 1.00 0.00 H new ATOM 0 HG21 ILE A 20 15.911 14.405 -24.187 1.00 0.00 H new ATOM 0 HG22 ILE A 20 14.824 13.003 -24.035 1.00 0.00 H new ATOM 0 HG23 ILE A 20 14.346 14.578 -23.357 1.00 0.00 H new ATOM 0 HD11 ILE A 20 17.771 16.408 -21.844 1.00 0.00 H new ATOM 0 HD12 ILE A 20 18.250 14.887 -22.633 1.00 0.00 H new ATOM 0 HD13 ILE A 20 16.928 15.864 -23.313 1.00 0.00 H new ATOM 345 N ALA A 21 15.212 10.441 -21.422 1.00 0.00 N ATOM 346 CA ALA A 21 14.986 9.080 -21.895 1.00 0.00 C ATOM 347 C ALA A 21 15.211 8.067 -20.778 1.00 0.00 C ATOM 348 O ALA A 21 16.274 7.453 -20.688 1.00 0.00 O ATOM 349 CB ALA A 21 15.893 8.775 -23.078 1.00 0.00 C ATOM 0 H ALA A 21 15.950 10.528 -20.723 1.00 0.00 H new ATOM 0 HA ALA A 21 13.948 9.001 -22.218 1.00 0.00 H new ATOM 0 HB1 ALA A 21 15.714 7.756 -23.421 1.00 0.00 H new ATOM 0 HB2 ALA A 21 15.681 9.473 -23.888 1.00 0.00 H new ATOM 0 HB3 ALA A 21 16.935 8.877 -22.774 1.00 0.00 H new ATOM 355 N ASN A 22 14.203 7.896 -19.928 1.00 0.00 N ATOM 356 CA ASN A 22 14.292 6.958 -18.816 1.00 0.00 C ATOM 357 C ASN A 22 14.005 5.533 -19.282 1.00 0.00 C ATOM 358 O ASN A 22 12.869 5.064 -19.210 1.00 0.00 O ATOM 359 CB ASN A 22 13.312 7.352 -17.709 1.00 0.00 C ATOM 360 CG ASN A 22 13.849 7.044 -16.325 1.00 0.00 C ATOM 361 OD1 ASN A 22 15.053 7.120 -16.083 1.00 0.00 O ATOM 362 ND2 ASN A 22 12.954 6.695 -15.407 1.00 0.00 N ATOM 0 H ASN A 22 13.316 8.395 -19.989 1.00 0.00 H new ATOM 0 HA ASN A 22 15.308 6.995 -18.422 1.00 0.00 H new ATOM 0 HB2 ASN A 22 13.094 8.418 -17.782 1.00 0.00 H new ATOM 0 HB3 ASN A 22 12.370 6.823 -17.856 1.00 0.00 H new ATOM 0 HD21 ASN A 22 13.256 6.477 -14.457 1.00 0.00 H new ATOM 0 HD22 ASN A 22 11.965 6.645 -15.652 1.00 0.00 H new ATOM 369 N GLN A 23 15.042 4.852 -19.757 1.00 0.00 N ATOM 370 CA GLN A 23 14.900 3.481 -20.235 1.00 0.00 C ATOM 371 C GLN A 23 14.786 2.507 -19.067 1.00 0.00 C ATOM 372 O GLN A 23 14.576 1.310 -19.262 1.00 0.00 O ATOM 373 CB GLN A 23 16.090 3.101 -21.118 1.00 0.00 C ATOM 374 CG GLN A 23 15.712 2.829 -22.565 1.00 0.00 C ATOM 375 CD GLN A 23 15.177 1.426 -22.774 1.00 0.00 C ATOM 376 OE1 GLN A 23 15.833 0.441 -22.433 1.00 0.00 O ATOM 377 NE2 GLN A 23 13.978 1.327 -23.337 1.00 0.00 N ATOM 0 H GLN A 23 15.989 5.226 -19.821 1.00 0.00 H new ATOM 0 HA GLN A 23 13.985 3.421 -20.825 1.00 0.00 H new ATOM 0 HB2 GLN A 23 16.825 3.905 -21.088 1.00 0.00 H new ATOM 0 HB3 GLN A 23 16.570 2.215 -20.704 1.00 0.00 H new ATOM 0 HG2 GLN A 23 14.960 3.552 -22.882 1.00 0.00 H new ATOM 0 HG3 GLN A 23 16.586 2.979 -23.199 1.00 0.00 H new ATOM 0 HE21 GLN A 23 13.469 2.170 -23.604 1.00 0.00 H new ATOM 0 HE22 GLN A 23 13.566 0.408 -23.502 1.00 0.00 H new ATOM 386 N CYS A 24 14.927 3.028 -17.853 1.00 0.00 N ATOM 387 CA CYS A 24 14.841 2.205 -16.653 1.00 0.00 C ATOM 388 C CYS A 24 13.430 1.654 -16.471 1.00 0.00 C ATOM 389 O CYS A 24 13.218 0.442 -16.491 1.00 0.00 O ATOM 390 CB CYS A 24 15.246 3.017 -15.421 1.00 0.00 C ATOM 391 SG CYS A 24 14.816 2.230 -13.836 1.00 0.00 S ATOM 0 H CYS A 24 15.101 4.017 -17.674 1.00 0.00 H new ATOM 0 HA CYS A 24 15.528 1.366 -16.769 1.00 0.00 H new ATOM 0 HB2 CYS A 24 16.322 3.187 -15.449 1.00 0.00 H new ATOM 0 HB3 CYS A 24 14.767 3.995 -15.470 1.00 0.00 H new ATOM 396 N ASN A 25 12.468 2.554 -16.293 1.00 0.00 N ATOM 397 CA ASN A 25 11.077 2.158 -16.107 1.00 0.00 C ATOM 398 C ASN A 25 10.602 1.278 -17.259 1.00 0.00 C ATOM 399 O ASN A 25 9.865 0.313 -17.055 1.00 0.00 O ATOM 400 CB ASN A 25 10.184 3.396 -15.994 1.00 0.00 C ATOM 401 CG ASN A 25 10.104 4.171 -17.295 1.00 0.00 C ATOM 402 OD1 ASN A 25 10.888 5.092 -17.531 1.00 0.00 O ATOM 403 ND2 ASN A 25 9.155 3.803 -18.147 1.00 0.00 N ATOM 0 H ASN A 25 12.626 3.561 -16.274 1.00 0.00 H new ATOM 0 HA ASN A 25 11.009 1.583 -15.183 1.00 0.00 H new ATOM 0 HB2 ASN A 25 9.182 3.091 -15.693 1.00 0.00 H new ATOM 0 HB3 ASN A 25 10.568 4.047 -15.209 1.00 0.00 H new ATOM 0 HD21 ASN A 25 9.053 4.289 -19.038 1.00 0.00 H new ATOM 0 HD22 ASN A 25 8.527 3.034 -17.911 1.00 0.00 H new ATOM 410 N TYR A 26 11.030 1.617 -18.470 1.00 0.00 N ATOM 411 CA TYR A 26 10.649 0.859 -19.656 1.00 0.00 C ATOM 412 C TYR A 26 11.323 -0.509 -19.668 1.00 0.00 C ATOM 413 O TYR A 26 10.726 -1.504 -20.080 1.00 0.00 O ATOM 414 CB TYR A 26 11.018 1.634 -20.922 1.00 0.00 C ATOM 415 CG TYR A 26 9.941 1.609 -21.983 1.00 0.00 C ATOM 416 CD1 TYR A 26 8.654 2.054 -21.705 1.00 0.00 C ATOM 417 CD2 TYR A 26 10.210 1.141 -23.263 1.00 0.00 C ATOM 418 CE1 TYR A 26 7.667 2.033 -22.671 1.00 0.00 C ATOM 419 CE2 TYR A 26 9.229 1.117 -24.236 1.00 0.00 C ATOM 420 CZ TYR A 26 7.959 1.563 -23.935 1.00 0.00 C ATOM 421 OH TYR A 26 6.978 1.541 -24.900 1.00 0.00 O ATOM 0 H TYR A 26 11.641 2.412 -18.656 1.00 0.00 H new ATOM 0 HA TYR A 26 9.569 0.711 -19.631 1.00 0.00 H new ATOM 0 HB2 TYR A 26 11.229 2.669 -20.655 1.00 0.00 H new ATOM 0 HB3 TYR A 26 11.936 1.218 -21.338 1.00 0.00 H new ATOM 0 HD1 TYR A 26 8.422 2.423 -20.717 1.00 0.00 H new ATOM 0 HD2 TYR A 26 11.203 0.790 -23.502 1.00 0.00 H new ATOM 0 HE1 TYR A 26 6.672 2.383 -22.438 1.00 0.00 H new ATOM 0 HE2 TYR A 26 9.455 0.751 -25.227 1.00 0.00 H new ATOM 0 HH TYR A 26 7.347 1.183 -25.734 1.00 0.00 H new ATOM 431 N ASP A 27 12.570 -0.551 -19.212 1.00 0.00 N ATOM 432 CA ASP A 27 13.326 -1.797 -19.168 1.00 0.00 C ATOM 433 C ASP A 27 12.755 -2.743 -18.117 1.00 0.00 C ATOM 434 O ASP A 27 12.626 -3.945 -18.352 1.00 0.00 O ATOM 435 CB ASP A 27 14.800 -1.514 -18.871 1.00 0.00 C ATOM 436 CG ASP A 27 15.629 -2.780 -18.795 1.00 0.00 C ATOM 437 OD1 ASP A 27 15.578 -3.460 -17.749 1.00 0.00 O ATOM 438 OD2 ASP A 27 16.330 -3.091 -19.781 1.00 0.00 O ATOM 0 H ASP A 27 13.079 0.263 -18.868 1.00 0.00 H new ATOM 0 HA ASP A 27 13.245 -2.276 -20.144 1.00 0.00 H new ATOM 0 HB2 ASP A 27 15.205 -0.864 -19.646 1.00 0.00 H new ATOM 0 HB3 ASP A 27 14.880 -0.974 -17.928 1.00 0.00 H new ATOM 443 N CYS A 28 12.414 -2.193 -16.956 1.00 0.00 N ATOM 444 CA CYS A 28 11.858 -2.986 -15.867 1.00 0.00 C ATOM 445 C CYS A 28 10.666 -3.809 -16.347 1.00 0.00 C ATOM 446 O CYS A 28 10.674 -5.038 -16.272 1.00 0.00 O ATOM 447 CB CYS A 28 11.433 -2.078 -14.712 1.00 0.00 C ATOM 448 SG CYS A 28 12.812 -1.511 -13.665 1.00 0.00 S ATOM 0 H CYS A 28 12.513 -1.200 -16.746 1.00 0.00 H new ATOM 0 HA CYS A 28 12.632 -3.669 -15.517 1.00 0.00 H new ATOM 0 HB2 CYS A 28 10.918 -1.208 -15.119 1.00 0.00 H new ATOM 0 HB3 CYS A 28 10.714 -2.612 -14.090 1.00 0.00 H new ATOM 453 N LYS A 29 9.642 -3.122 -16.842 1.00 0.00 N ATOM 454 CA LYS A 29 8.442 -3.787 -17.337 1.00 0.00 C ATOM 455 C LYS A 29 8.764 -4.665 -18.542 1.00 0.00 C ATOM 456 O LYS A 29 8.107 -5.680 -18.777 1.00 0.00 O ATOM 457 CB LYS A 29 7.380 -2.752 -17.716 1.00 0.00 C ATOM 458 CG LYS A 29 7.112 -1.729 -16.626 1.00 0.00 C ATOM 459 CD LYS A 29 6.569 -0.431 -17.201 1.00 0.00 C ATOM 460 CE LYS A 29 5.086 -0.540 -17.519 1.00 0.00 C ATOM 461 NZ LYS A 29 4.262 0.321 -16.626 1.00 0.00 N ATOM 0 H LYS A 29 9.619 -2.105 -16.911 1.00 0.00 H new ATOM 0 HA LYS A 29 8.054 -4.422 -16.540 1.00 0.00 H new ATOM 0 HB2 LYS A 29 7.697 -2.233 -18.620 1.00 0.00 H new ATOM 0 HB3 LYS A 29 6.450 -3.268 -17.955 1.00 0.00 H new ATOM 0 HG2 LYS A 29 6.399 -2.137 -15.910 1.00 0.00 H new ATOM 0 HG3 LYS A 29 8.033 -1.529 -16.079 1.00 0.00 H new ATOM 0 HD2 LYS A 29 6.731 0.379 -16.490 1.00 0.00 H new ATOM 0 HD3 LYS A 29 7.119 -0.175 -18.107 1.00 0.00 H new ATOM 0 HE2 LYS A 29 4.915 -0.255 -18.557 1.00 0.00 H new ATOM 0 HE3 LYS A 29 4.768 -1.578 -17.417 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 3.297 0.393 -17.007 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 4.229 -0.097 -15.674 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 4.684 1.270 -16.572 1.00 0.00 H new ATOM 475 N LEU A 30 9.779 -4.269 -19.302 1.00 0.00 N ATOM 476 CA LEU A 30 10.190 -5.021 -20.483 1.00 0.00 C ATOM 477 C LEU A 30 10.451 -6.483 -20.134 1.00 0.00 C ATOM 478 O LEU A 30 9.893 -7.389 -20.753 1.00 0.00 O ATOM 479 CB LEU A 30 11.446 -4.400 -21.096 1.00 0.00 C ATOM 480 CG LEU A 30 11.344 -3.994 -22.567 1.00 0.00 C ATOM 481 CD1 LEU A 30 11.439 -2.483 -22.712 1.00 0.00 C ATOM 482 CD2 LEU A 30 12.428 -4.680 -23.386 1.00 0.00 C ATOM 0 H LEU A 30 10.333 -3.432 -19.122 1.00 0.00 H new ATOM 0 HA LEU A 30 9.379 -4.979 -21.210 1.00 0.00 H new ATOM 0 HB2 LEU A 30 11.712 -3.518 -20.514 1.00 0.00 H new ATOM 0 HB3 LEU A 30 12.266 -5.110 -20.992 1.00 0.00 H new ATOM 0 HG LEU A 30 10.373 -4.314 -22.946 1.00 0.00 H new ATOM 0 HD11 LEU A 30 11.364 -2.213 -23.765 1.00 0.00 H new ATOM 0 HD12 LEU A 30 10.626 -2.013 -22.159 1.00 0.00 H new ATOM 0 HD13 LEU A 30 12.394 -2.139 -22.316 1.00 0.00 H new ATOM 0 HD21 LEU A 30 12.340 -4.380 -24.430 1.00 0.00 H new ATOM 0 HD22 LEU A 30 13.408 -4.391 -23.007 1.00 0.00 H new ATOM 0 HD23 LEU A 30 12.313 -5.761 -23.309 1.00 0.00 H new ATOM 494 N ASP A 31 11.300 -6.705 -19.136 1.00 0.00 N ATOM 495 CA ASP A 31 11.633 -8.057 -18.702 1.00 0.00 C ATOM 496 C ASP A 31 11.033 -8.350 -17.330 1.00 0.00 C ATOM 497 O ASP A 31 10.135 -9.181 -17.198 1.00 0.00 O ATOM 498 CB ASP A 31 13.150 -8.243 -18.660 1.00 0.00 C ATOM 499 CG ASP A 31 13.665 -9.069 -19.823 1.00 0.00 C ATOM 500 OD1 ASP A 31 13.704 -8.541 -20.954 1.00 0.00 O ATOM 501 OD2 ASP A 31 14.029 -10.242 -19.601 1.00 0.00 O ATOM 0 H ASP A 31 11.770 -5.966 -18.613 1.00 0.00 H new ATOM 0 HA ASP A 31 11.209 -8.758 -19.421 1.00 0.00 H new ATOM 0 HB2 ASP A 31 13.633 -7.266 -18.670 1.00 0.00 H new ATOM 0 HB3 ASP A 31 13.428 -8.727 -17.724 1.00 0.00 H new ATOM 506 N LYS A 32 11.538 -7.662 -16.311 1.00 0.00 N ATOM 507 CA LYS A 32 11.053 -7.848 -14.948 1.00 0.00 C ATOM 508 C LYS A 32 9.531 -7.774 -14.897 1.00 0.00 C ATOM 509 O LYS A 32 8.897 -8.396 -14.044 1.00 0.00 O ATOM 510 CB LYS A 32 11.657 -6.789 -14.022 1.00 0.00 C ATOM 511 CG LYS A 32 13.159 -6.629 -14.180 1.00 0.00 C ATOM 512 CD LYS A 32 13.836 -6.374 -12.843 1.00 0.00 C ATOM 513 CE LYS A 32 15.298 -5.995 -13.022 1.00 0.00 C ATOM 514 NZ LYS A 32 15.887 -5.447 -11.769 1.00 0.00 N ATOM 0 H LYS A 32 12.283 -6.971 -16.403 1.00 0.00 H new ATOM 0 HA LYS A 32 11.362 -8.837 -14.610 1.00 0.00 H new ATOM 0 HB2 LYS A 32 11.175 -5.831 -14.217 1.00 0.00 H new ATOM 0 HB3 LYS A 32 11.435 -7.053 -12.988 1.00 0.00 H new ATOM 0 HG2 LYS A 32 13.576 -7.528 -14.634 1.00 0.00 H new ATOM 0 HG3 LYS A 32 13.368 -5.802 -14.859 1.00 0.00 H new ATOM 0 HD2 LYS A 32 13.314 -5.575 -12.316 1.00 0.00 H new ATOM 0 HD3 LYS A 32 13.764 -7.266 -12.221 1.00 0.00 H new ATOM 0 HE2 LYS A 32 15.864 -6.872 -13.336 1.00 0.00 H new ATOM 0 HE3 LYS A 32 15.387 -5.256 -13.818 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 16.701 -4.843 -12.003 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 15.172 -4.884 -11.266 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 16.200 -6.230 -11.161 1.00 0.00 H new ATOM 528 N HIS A 33 8.949 -7.010 -15.817 1.00 0.00 N ATOM 529 CA HIS A 33 7.499 -6.857 -15.878 1.00 0.00 C ATOM 530 C HIS A 33 6.972 -6.175 -14.619 1.00 0.00 C ATOM 531 O HIS A 33 5.860 -6.453 -14.170 1.00 0.00 O ATOM 532 CB HIS A 33 6.828 -8.220 -16.053 1.00 0.00 C ATOM 533 CG HIS A 33 5.791 -8.242 -17.133 1.00 0.00 C ATOM 534 ND1 HIS A 33 6.090 -8.060 -18.467 1.00 0.00 N ATOM 535 CD2 HIS A 33 4.452 -8.428 -17.071 1.00 0.00 C ATOM 536 CE1 HIS A 33 4.979 -8.132 -19.179 1.00 0.00 C ATOM 537 NE2 HIS A 33 3.971 -8.355 -18.355 1.00 0.00 N ATOM 0 H HIS A 33 9.459 -6.488 -16.530 1.00 0.00 H new ATOM 0 HA HIS A 33 7.260 -6.230 -16.737 1.00 0.00 H new ATOM 0 HB2 HIS A 33 7.591 -8.965 -16.278 1.00 0.00 H new ATOM 0 HB3 HIS A 33 6.365 -8.512 -15.110 1.00 0.00 H new ATOM 0 HD2 HIS A 33 3.870 -8.602 -16.178 1.00 0.00 H new ATOM 0 HE1 HIS A 33 4.907 -8.027 -20.251 1.00 0.00 H new ATOM 0 HE2 HIS A 33 2.994 -8.457 -18.628 1.00 0.00 H new ATOM 545 N ALA A 34 7.778 -5.282 -14.053 1.00 0.00 N ATOM 546 CA ALA A 34 7.391 -4.560 -12.847 1.00 0.00 C ATOM 547 C ALA A 34 6.101 -3.777 -13.066 1.00 0.00 C ATOM 548 O ALA A 34 5.460 -3.898 -14.110 1.00 0.00 O ATOM 549 CB ALA A 34 8.510 -3.627 -12.410 1.00 0.00 C ATOM 0 H ALA A 34 8.703 -5.041 -14.410 1.00 0.00 H new ATOM 0 HA ALA A 34 7.212 -5.290 -12.057 1.00 0.00 H new ATOM 0 HB1 ALA A 34 8.208 -3.094 -11.508 1.00 0.00 H new ATOM 0 HB2 ALA A 34 9.409 -4.208 -12.204 1.00 0.00 H new ATOM 0 HB3 ALA A 34 8.716 -2.909 -13.204 1.00 0.00 H new ATOM 555 N ARG A 35 5.727 -2.974 -12.075 1.00 0.00 N ATOM 556 CA ARG A 35 4.512 -2.173 -12.159 1.00 0.00 C ATOM 557 C ARG A 35 4.745 -0.918 -12.996 1.00 0.00 C ATOM 558 O ARG A 35 4.053 -0.684 -13.987 1.00 0.00 O ATOM 559 CB ARG A 35 4.035 -1.783 -10.759 1.00 0.00 C ATOM 560 CG ARG A 35 4.288 -2.853 -9.709 1.00 0.00 C ATOM 561 CD ARG A 35 3.752 -4.206 -10.152 1.00 0.00 C ATOM 562 NE ARG A 35 4.823 -5.176 -10.363 1.00 0.00 N ATOM 563 CZ ARG A 35 4.700 -6.250 -11.135 1.00 0.00 C ATOM 564 NH1 ARG A 35 3.560 -6.489 -11.768 1.00 0.00 N ATOM 565 NH2 ARG A 35 5.720 -7.087 -11.277 1.00 0.00 N ATOM 0 H ARG A 35 6.248 -2.861 -11.205 1.00 0.00 H new ATOM 0 HA ARG A 35 3.743 -2.775 -12.643 1.00 0.00 H new ATOM 0 HB2 ARG A 35 4.536 -0.864 -10.457 1.00 0.00 H new ATOM 0 HB3 ARG A 35 2.967 -1.567 -10.795 1.00 0.00 H new ATOM 0 HG2 ARG A 35 5.358 -2.930 -9.517 1.00 0.00 H new ATOM 0 HG3 ARG A 35 3.815 -2.563 -8.771 1.00 0.00 H new ATOM 0 HD2 ARG A 35 3.061 -4.586 -9.399 1.00 0.00 H new ATOM 0 HD3 ARG A 35 3.184 -4.087 -11.075 1.00 0.00 H new ATOM 0 HE ARG A 35 5.714 -5.020 -9.892 1.00 0.00 H new ATOM 0 HH11 ARG A 35 2.774 -5.847 -11.663 1.00 0.00 H new ATOM 0 HH12 ARG A 35 3.469 -7.315 -12.360 1.00 0.00 H new ATOM 0 HH21 ARG A 35 6.599 -6.906 -10.793 1.00 0.00 H new ATOM 0 HH22 ARG A 35 5.624 -7.911 -11.870 1.00 0.00 H new ATOM 579 N SER A 36 5.723 -0.116 -12.590 1.00 0.00 N ATOM 580 CA SER A 36 6.045 1.117 -13.300 1.00 0.00 C ATOM 581 C SER A 36 7.550 1.242 -13.518 1.00 0.00 C ATOM 582 O SER A 36 8.009 1.478 -14.634 1.00 0.00 O ATOM 583 CB SER A 36 5.529 2.328 -12.521 1.00 0.00 C ATOM 584 OG SER A 36 5.126 1.960 -11.213 1.00 0.00 O ATOM 0 H SER A 36 6.307 -0.297 -11.773 1.00 0.00 H new ATOM 0 HA SER A 36 5.556 1.085 -14.274 1.00 0.00 H new ATOM 0 HB2 SER A 36 6.309 3.087 -12.464 1.00 0.00 H new ATOM 0 HB3 SER A 36 4.688 2.774 -13.052 1.00 0.00 H new ATOM 0 HG SER A 36 4.802 2.752 -10.736 1.00 0.00 H new ATOM 590 N GLY A 37 8.313 1.081 -12.441 1.00 0.00 N ATOM 591 CA GLY A 37 9.758 1.179 -12.534 1.00 0.00 C ATOM 592 C GLY A 37 10.247 2.612 -12.472 1.00 0.00 C ATOM 593 O GLY A 37 9.729 3.481 -13.172 1.00 0.00 O ATOM 0 H GLY A 37 7.956 0.884 -11.506 1.00 0.00 H new ATOM 0 HA2 GLY A 37 10.211 0.608 -11.723 1.00 0.00 H new ATOM 0 HA3 GLY A 37 10.091 0.725 -13.467 1.00 0.00 H new ATOM 597 N GLU A 38 11.246 2.859 -11.631 1.00 0.00 N ATOM 598 CA GLU A 38 11.802 4.199 -11.479 1.00 0.00 C ATOM 599 C GLU A 38 13.231 4.137 -10.946 1.00 0.00 C ATOM 600 O GLU A 38 13.677 3.101 -10.453 1.00 0.00 O ATOM 601 CB GLU A 38 10.931 5.034 -10.540 1.00 0.00 C ATOM 602 CG GLU A 38 9.689 5.603 -11.206 1.00 0.00 C ATOM 603 CD GLU A 38 8.998 6.650 -10.355 1.00 0.00 C ATOM 604 OE1 GLU A 38 9.371 7.838 -10.458 1.00 0.00 O ATOM 605 OE2 GLU A 38 8.085 6.283 -9.586 1.00 0.00 O ATOM 0 H GLU A 38 11.687 2.150 -11.045 1.00 0.00 H new ATOM 0 HA GLU A 38 11.819 4.671 -12.461 1.00 0.00 H new ATOM 0 HB2 GLU A 38 10.629 4.417 -9.694 1.00 0.00 H new ATOM 0 HB3 GLU A 38 11.526 5.855 -10.140 1.00 0.00 H new ATOM 0 HG2 GLU A 38 9.965 6.043 -12.164 1.00 0.00 H new ATOM 0 HG3 GLU A 38 8.991 4.793 -11.417 1.00 0.00 H new ATOM 612 N CYS A 39 13.943 5.255 -11.048 1.00 0.00 N ATOM 613 CA CYS A 39 15.321 5.330 -10.578 1.00 0.00 C ATOM 614 C CYS A 39 15.417 6.172 -9.309 1.00 0.00 C ATOM 615 O CYS A 39 14.777 7.217 -9.195 1.00 0.00 O ATOM 616 CB CYS A 39 16.221 5.919 -11.665 1.00 0.00 C ATOM 617 SG CYS A 39 16.315 4.913 -13.180 1.00 0.00 S ATOM 0 H CYS A 39 13.588 6.122 -11.452 1.00 0.00 H new ATOM 0 HA CYS A 39 15.656 4.319 -10.348 1.00 0.00 H new ATOM 0 HB2 CYS A 39 15.856 6.913 -11.924 1.00 0.00 H new ATOM 0 HB3 CYS A 39 17.226 6.043 -11.261 1.00 0.00 H new ATOM 622 N PHE A 40 16.222 5.710 -8.358 1.00 0.00 N ATOM 623 CA PHE A 40 16.403 6.420 -7.097 1.00 0.00 C ATOM 624 C PHE A 40 17.804 6.188 -6.538 1.00 0.00 C ATOM 625 O PHE A 40 18.468 5.210 -6.883 1.00 0.00 O ATOM 626 CB PHE A 40 15.354 5.968 -6.078 1.00 0.00 C ATOM 627 CG PHE A 40 13.942 6.234 -6.514 1.00 0.00 C ATOM 628 CD1 PHE A 40 13.397 7.504 -6.405 1.00 0.00 C ATOM 629 CD2 PHE A 40 13.158 5.215 -7.031 1.00 0.00 C ATOM 630 CE1 PHE A 40 12.098 7.753 -6.805 1.00 0.00 C ATOM 631 CE2 PHE A 40 11.858 5.458 -7.433 1.00 0.00 C ATOM 632 CZ PHE A 40 11.327 6.728 -7.319 1.00 0.00 C ATOM 0 H PHE A 40 16.760 4.847 -8.437 1.00 0.00 H new ATOM 0 HA PHE A 40 16.279 7.486 -7.288 1.00 0.00 H new ATOM 0 HB2 PHE A 40 15.474 4.900 -5.894 1.00 0.00 H new ATOM 0 HB3 PHE A 40 15.536 6.477 -5.131 1.00 0.00 H new ATOM 0 HD1 PHE A 40 13.995 8.308 -6.003 1.00 0.00 H new ATOM 0 HD2 PHE A 40 13.567 4.220 -7.121 1.00 0.00 H new ATOM 0 HE1 PHE A 40 11.686 8.747 -6.716 1.00 0.00 H new ATOM 0 HE2 PHE A 40 11.258 4.655 -7.836 1.00 0.00 H new ATOM 0 HZ PHE A 40 10.311 6.920 -7.631 1.00 0.00 H new ATOM 642 N TYR A 41 18.247 7.095 -5.675 1.00 0.00 N ATOM 643 CA TYR A 41 19.569 6.993 -5.070 1.00 0.00 C ATOM 644 C TYR A 41 19.564 5.999 -3.913 1.00 0.00 C ATOM 645 O TYR A 41 18.532 5.769 -3.282 1.00 0.00 O ATOM 646 CB TYR A 41 20.036 8.364 -4.578 1.00 0.00 C ATOM 647 CG TYR A 41 20.460 9.295 -5.691 1.00 0.00 C ATOM 648 CD1 TYR A 41 21.748 9.248 -6.210 1.00 0.00 C ATOM 649 CD2 TYR A 41 19.572 10.222 -6.224 1.00 0.00 C ATOM 650 CE1 TYR A 41 22.140 10.097 -7.226 1.00 0.00 C ATOM 651 CE2 TYR A 41 19.955 11.074 -7.241 1.00 0.00 C ATOM 652 CZ TYR A 41 21.240 11.008 -7.739 1.00 0.00 C ATOM 653 OH TYR A 41 21.627 11.855 -8.752 1.00 0.00 O ATOM 0 H TYR A 41 17.709 7.910 -5.379 1.00 0.00 H new ATOM 0 HA TYR A 41 20.261 6.633 -5.831 1.00 0.00 H new ATOM 0 HB2 TYR A 41 19.230 8.831 -4.012 1.00 0.00 H new ATOM 0 HB3 TYR A 41 20.871 8.229 -3.891 1.00 0.00 H new ATOM 0 HD1 TYR A 41 22.455 8.535 -5.812 1.00 0.00 H new ATOM 0 HD2 TYR A 41 18.566 10.277 -5.836 1.00 0.00 H new ATOM 0 HE1 TYR A 41 23.146 10.048 -7.617 1.00 0.00 H new ATOM 0 HE2 TYR A 41 19.252 11.788 -7.644 1.00 0.00 H new ATOM 0 HH TYR A 41 20.876 12.433 -9.000 1.00 0.00 H new ATOM 663 N ASP A 42 20.725 5.413 -3.639 1.00 0.00 N ATOM 664 CA ASP A 42 20.856 4.445 -2.557 1.00 0.00 C ATOM 665 C ASP A 42 21.410 5.108 -1.299 1.00 0.00 C ATOM 666 O ASP A 42 21.489 6.333 -1.216 1.00 0.00 O ATOM 667 CB ASP A 42 21.766 3.292 -2.983 1.00 0.00 C ATOM 668 CG ASP A 42 21.297 1.955 -2.444 1.00 0.00 C ATOM 669 OD1 ASP A 42 20.135 1.581 -2.710 1.00 0.00 O ATOM 670 OD2 ASP A 42 22.092 1.281 -1.756 1.00 0.00 O ATOM 0 H ASP A 42 21.588 5.592 -4.152 1.00 0.00 H new ATOM 0 HA ASP A 42 19.865 4.051 -2.333 1.00 0.00 H new ATOM 0 HB2 ASP A 42 21.806 3.248 -4.071 1.00 0.00 H new ATOM 0 HB3 ASP A 42 22.780 3.486 -2.634 1.00 0.00 H new ATOM 675 N GLU A 43 21.790 4.289 -0.323 1.00 0.00 N ATOM 676 CA GLU A 43 22.334 4.797 0.931 1.00 0.00 C ATOM 677 C GLU A 43 23.632 5.562 0.690 1.00 0.00 C ATOM 678 O GLU A 43 23.923 6.545 1.372 1.00 0.00 O ATOM 679 CB GLU A 43 22.580 3.646 1.909 1.00 0.00 C ATOM 680 CG GLU A 43 21.352 2.789 2.162 1.00 0.00 C ATOM 681 CD GLU A 43 21.019 2.669 3.637 1.00 0.00 C ATOM 682 OE1 GLU A 43 21.955 2.711 4.462 1.00 0.00 O ATOM 683 OE2 GLU A 43 19.821 2.532 3.965 1.00 0.00 O ATOM 0 H GLU A 43 21.731 3.272 -0.377 1.00 0.00 H new ATOM 0 HA GLU A 43 21.605 5.482 1.364 1.00 0.00 H new ATOM 0 HB2 GLU A 43 23.379 3.015 1.520 1.00 0.00 H new ATOM 0 HB3 GLU A 43 22.929 4.055 2.857 1.00 0.00 H new ATOM 0 HG2 GLU A 43 20.500 3.217 1.634 1.00 0.00 H new ATOM 0 HG3 GLU A 43 21.516 1.794 1.748 1.00 0.00 H new ATOM 690 N LYS A 44 24.410 5.103 -0.284 1.00 0.00 N ATOM 691 CA LYS A 44 25.678 5.742 -0.617 1.00 0.00 C ATOM 692 C LYS A 44 25.498 6.750 -1.747 1.00 0.00 C ATOM 693 O LYS A 44 26.456 7.099 -2.438 1.00 0.00 O ATOM 694 CB LYS A 44 26.714 4.690 -1.018 1.00 0.00 C ATOM 695 CG LYS A 44 27.792 4.468 0.029 1.00 0.00 C ATOM 696 CD LYS A 44 29.171 4.808 -0.511 1.00 0.00 C ATOM 697 CE LYS A 44 30.104 5.273 0.596 1.00 0.00 C ATOM 698 NZ LYS A 44 31.244 4.335 0.792 1.00 0.00 N ATOM 0 H LYS A 44 24.185 4.290 -0.857 1.00 0.00 H new ATOM 0 HA LYS A 44 26.032 6.272 0.267 1.00 0.00 H new ATOM 0 HB2 LYS A 44 26.205 3.745 -1.209 1.00 0.00 H new ATOM 0 HB3 LYS A 44 27.185 4.994 -1.953 1.00 0.00 H new ATOM 0 HG2 LYS A 44 27.582 5.082 0.905 1.00 0.00 H new ATOM 0 HG3 LYS A 44 27.774 3.428 0.356 1.00 0.00 H new ATOM 0 HD2 LYS A 44 29.596 3.933 -1.003 1.00 0.00 H new ATOM 0 HD3 LYS A 44 29.085 5.588 -1.267 1.00 0.00 H new ATOM 0 HE2 LYS A 44 30.487 6.265 0.355 1.00 0.00 H new ATOM 0 HE3 LYS A 44 29.545 5.365 1.527 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 31.856 4.688 1.555 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 30.880 3.395 1.047 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 31.793 4.267 -0.089 1.00 0.00 H new ATOM 712 N ARG A 45 24.267 7.216 -1.929 1.00 0.00 N ATOM 713 CA ARG A 45 23.963 8.184 -2.975 1.00 0.00 C ATOM 714 C ARG A 45 24.193 7.581 -4.358 1.00 0.00 C ATOM 715 O ARG A 45 24.699 8.247 -5.260 1.00 0.00 O ATOM 716 CB ARG A 45 24.823 9.438 -2.805 1.00 0.00 C ATOM 717 CG ARG A 45 24.771 10.026 -1.404 1.00 0.00 C ATOM 718 CD ARG A 45 23.969 11.318 -1.372 1.00 0.00 C ATOM 719 NE ARG A 45 24.118 12.023 -0.101 1.00 0.00 N ATOM 720 CZ ARG A 45 25.240 12.625 0.278 1.00 0.00 C ATOM 721 NH1 ARG A 45 26.305 12.607 -0.512 1.00 0.00 N ATOM 722 NH2 ARG A 45 25.298 13.246 1.449 1.00 0.00 N ATOM 0 H ARG A 45 23.464 6.938 -1.365 1.00 0.00 H new ATOM 0 HA ARG A 45 22.912 8.458 -2.887 1.00 0.00 H new ATOM 0 HB2 ARG A 45 25.857 9.195 -3.050 1.00 0.00 H new ATOM 0 HB3 ARG A 45 24.495 10.193 -3.519 1.00 0.00 H new ATOM 0 HG2 ARG A 45 24.325 9.303 -0.721 1.00 0.00 H new ATOM 0 HG3 ARG A 45 25.784 10.216 -1.050 1.00 0.00 H new ATOM 0 HD2 ARG A 45 24.293 11.966 -2.186 1.00 0.00 H new ATOM 0 HD3 ARG A 45 22.916 11.095 -1.542 1.00 0.00 H new ATOM 0 HE ARG A 45 23.317 12.055 0.530 1.00 0.00 H new ATOM 0 HH11 ARG A 45 26.264 12.130 -1.413 1.00 0.00 H new ATOM 0 HH12 ARG A 45 27.165 13.070 -0.219 1.00 0.00 H new ATOM 0 HH21 ARG A 45 24.481 13.261 2.059 1.00 0.00 H new ATOM 0 HH22 ARG A 45 26.160 13.708 1.739 1.00 0.00 H new ATOM 736 N ASN A 46 23.817 6.316 -4.516 1.00 0.00 N ATOM 737 CA ASN A 46 23.983 5.623 -5.788 1.00 0.00 C ATOM 738 C ASN A 46 22.641 5.450 -6.493 1.00 0.00 C ATOM 739 O ASN A 46 21.782 4.691 -6.040 1.00 0.00 O ATOM 740 CB ASN A 46 24.635 4.256 -5.566 1.00 0.00 C ATOM 741 CG ASN A 46 25.677 4.285 -4.465 1.00 0.00 C ATOM 742 OD1 ASN A 46 26.357 5.291 -4.265 1.00 0.00 O ATOM 743 ND2 ASN A 46 25.807 3.177 -3.745 1.00 0.00 N ATOM 0 H ASN A 46 23.396 5.750 -3.779 1.00 0.00 H new ATOM 0 HA ASN A 46 24.630 6.229 -6.422 1.00 0.00 H new ATOM 0 HB2 ASN A 46 23.866 3.526 -5.315 1.00 0.00 H new ATOM 0 HB3 ASN A 46 25.100 3.923 -6.494 1.00 0.00 H new ATOM 0 HD21 ASN A 46 26.492 3.136 -2.991 1.00 0.00 H new ATOM 0 HD22 ASN A 46 25.222 2.366 -3.946 1.00 0.00 H new ATOM 750 N LEU A 47 22.467 6.158 -7.604 1.00 0.00 N ATOM 751 CA LEU A 47 21.230 6.083 -8.373 1.00 0.00 C ATOM 752 C LEU A 47 21.148 4.771 -9.147 1.00 0.00 C ATOM 753 O LEU A 47 21.940 4.527 -10.057 1.00 0.00 O ATOM 754 CB LEU A 47 21.134 7.265 -9.339 1.00 0.00 C ATOM 755 CG LEU A 47 19.879 8.130 -9.219 1.00 0.00 C ATOM 756 CD1 LEU A 47 19.976 9.341 -10.134 1.00 0.00 C ATOM 757 CD2 LEU A 47 18.636 7.314 -9.540 1.00 0.00 C ATOM 0 H LEU A 47 23.167 6.790 -7.992 1.00 0.00 H new ATOM 0 HA LEU A 47 20.394 6.124 -7.674 1.00 0.00 H new ATOM 0 HB2 LEU A 47 22.006 7.902 -9.190 1.00 0.00 H new ATOM 0 HB3 LEU A 47 21.190 6.881 -10.358 1.00 0.00 H new ATOM 0 HG LEU A 47 19.801 8.483 -8.191 1.00 0.00 H new ATOM 0 HD11 LEU A 47 19.074 9.945 -10.035 1.00 0.00 H new ATOM 0 HD12 LEU A 47 20.845 9.938 -9.856 1.00 0.00 H new ATOM 0 HD13 LEU A 47 20.079 9.009 -11.167 1.00 0.00 H new ATOM 0 HD21 LEU A 47 17.753 7.946 -9.449 1.00 0.00 H new ATOM 0 HD22 LEU A 47 18.705 6.931 -10.558 1.00 0.00 H new ATOM 0 HD23 LEU A 47 18.558 6.480 -8.843 1.00 0.00 H new ATOM 769 N GLN A 48 20.185 3.932 -8.780 1.00 0.00 N ATOM 770 CA GLN A 48 19.999 2.646 -9.441 1.00 0.00 C ATOM 771 C GLN A 48 18.572 2.501 -9.959 1.00 0.00 C ATOM 772 O GLN A 48 17.665 3.207 -9.517 1.00 0.00 O ATOM 773 CB GLN A 48 20.324 1.502 -8.479 1.00 0.00 C ATOM 774 CG GLN A 48 21.806 1.373 -8.165 1.00 0.00 C ATOM 775 CD GLN A 48 22.063 0.735 -6.815 1.00 0.00 C ATOM 776 OE1 GLN A 48 22.816 -0.234 -6.706 1.00 0.00 O ATOM 777 NE2 GLN A 48 21.438 1.275 -5.775 1.00 0.00 N ATOM 0 H GLN A 48 19.521 4.120 -8.028 1.00 0.00 H new ATOM 0 HA GLN A 48 20.680 2.601 -10.291 1.00 0.00 H new ATOM 0 HB2 GLN A 48 19.776 1.654 -7.549 1.00 0.00 H new ATOM 0 HB3 GLN A 48 19.969 0.565 -8.909 1.00 0.00 H new ATOM 0 HG2 GLN A 48 22.287 0.778 -8.941 1.00 0.00 H new ATOM 0 HG3 GLN A 48 22.266 2.361 -8.189 1.00 0.00 H new ATOM 0 HE21 GLN A 48 20.823 2.077 -5.910 1.00 0.00 H new ATOM 0 HE22 GLN A 48 21.573 0.887 -4.841 1.00 0.00 H new ATOM 786 N CYS A 49 18.380 1.581 -10.899 1.00 0.00 N ATOM 787 CA CYS A 49 17.063 1.343 -11.478 1.00 0.00 C ATOM 788 C CYS A 49 16.223 0.450 -10.571 1.00 0.00 C ATOM 789 O CYS A 49 16.291 -0.777 -10.654 1.00 0.00 O ATOM 790 CB CYS A 49 17.200 0.701 -12.860 1.00 0.00 C ATOM 791 SG CYS A 49 15.614 0.435 -13.716 1.00 0.00 S ATOM 0 H CYS A 49 19.120 0.988 -11.276 1.00 0.00 H new ATOM 0 HA CYS A 49 16.559 2.304 -11.579 1.00 0.00 H new ATOM 0 HB2 CYS A 49 17.835 1.333 -13.481 1.00 0.00 H new ATOM 0 HB3 CYS A 49 17.709 -0.257 -12.755 1.00 0.00 H new ATOM 796 N ILE A 50 15.431 1.074 -9.705 1.00 0.00 N ATOM 797 CA ILE A 50 14.577 0.335 -8.783 1.00 0.00 C ATOM 798 C ILE A 50 13.206 0.070 -9.397 1.00 0.00 C ATOM 799 O ILE A 50 12.468 1.000 -9.721 1.00 0.00 O ATOM 800 CB ILE A 50 14.394 1.094 -7.455 1.00 0.00 C ATOM 801 CG1 ILE A 50 15.697 1.086 -6.654 1.00 0.00 C ATOM 802 CG2 ILE A 50 13.264 0.477 -6.644 1.00 0.00 C ATOM 803 CD1 ILE A 50 16.221 2.470 -6.340 1.00 0.00 C ATOM 0 H ILE A 50 15.363 2.088 -9.623 1.00 0.00 H new ATOM 0 HA ILE A 50 15.074 -0.615 -8.584 1.00 0.00 H new ATOM 0 HB ILE A 50 14.133 2.129 -7.678 1.00 0.00 H new ATOM 0 HG12 ILE A 50 15.537 0.546 -5.721 1.00 0.00 H new ATOM 0 HG13 ILE A 50 16.455 0.538 -7.214 1.00 0.00 H new ATOM 0 HG21 ILE A 50 13.147 1.024 -5.709 1.00 0.00 H new ATOM 0 HG22 ILE A 50 12.336 0.530 -7.214 1.00 0.00 H new ATOM 0 HG23 ILE A 50 13.498 -0.565 -6.428 1.00 0.00 H new ATOM 0 HD11 ILE A 50 17.147 2.388 -5.770 1.00 0.00 H new ATOM 0 HD12 ILE A 50 16.413 3.006 -7.270 1.00 0.00 H new ATOM 0 HD13 ILE A 50 15.481 3.015 -5.753 1.00 0.00 H new ATOM 815 N CYS A 51 12.871 -1.207 -9.552 1.00 0.00 N ATOM 816 CA CYS A 51 11.589 -1.597 -10.126 1.00 0.00 C ATOM 817 C CYS A 51 10.569 -1.888 -9.029 1.00 0.00 C ATOM 818 O CYS A 51 10.908 -1.929 -7.846 1.00 0.00 O ATOM 819 CB CYS A 51 11.759 -2.827 -11.019 1.00 0.00 C ATOM 820 SG CYS A 51 13.163 -2.718 -12.175 1.00 0.00 S ATOM 0 H CYS A 51 13.470 -1.989 -9.288 1.00 0.00 H new ATOM 0 HA CYS A 51 11.221 -0.767 -10.729 1.00 0.00 H new ATOM 0 HB2 CYS A 51 11.889 -3.706 -10.388 1.00 0.00 H new ATOM 0 HB3 CYS A 51 10.843 -2.978 -11.590 1.00 0.00 H new ATOM 825 N ASP A 52 9.318 -2.089 -9.431 1.00 0.00 N ATOM 826 CA ASP A 52 8.248 -2.377 -8.483 1.00 0.00 C ATOM 827 C ASP A 52 7.688 -3.778 -8.706 1.00 0.00 C ATOM 828 O ASP A 52 7.291 -4.129 -9.818 1.00 0.00 O ATOM 829 CB ASP A 52 7.131 -1.341 -8.612 1.00 0.00 C ATOM 830 CG ASP A 52 6.058 -1.512 -7.554 1.00 0.00 C ATOM 831 OD1 ASP A 52 6.207 -2.408 -6.698 1.00 0.00 O ATOM 832 OD2 ASP A 52 5.069 -0.749 -7.583 1.00 0.00 O ATOM 0 H ASP A 52 9.021 -2.058 -10.406 1.00 0.00 H new ATOM 0 HA ASP A 52 8.664 -2.327 -7.477 1.00 0.00 H new ATOM 0 HB2 ASP A 52 7.557 -0.340 -8.535 1.00 0.00 H new ATOM 0 HB3 ASP A 52 6.678 -1.420 -9.600 1.00 0.00 H new ATOM 837 N TYR A 53 7.659 -4.575 -7.644 1.00 0.00 N ATOM 838 CA TYR A 53 7.151 -5.939 -7.724 1.00 0.00 C ATOM 839 C TYR A 53 6.021 -6.159 -6.723 1.00 0.00 C ATOM 840 O TYR A 53 6.249 -6.223 -5.515 1.00 0.00 O ATOM 841 CB TYR A 53 8.277 -6.942 -7.467 1.00 0.00 C ATOM 842 CG TYR A 53 8.895 -7.496 -8.731 1.00 0.00 C ATOM 843 CD1 TYR A 53 9.897 -6.803 -9.400 1.00 0.00 C ATOM 844 CD2 TYR A 53 8.476 -8.711 -9.257 1.00 0.00 C ATOM 845 CE1 TYR A 53 10.464 -7.305 -10.555 1.00 0.00 C ATOM 846 CE2 TYR A 53 9.038 -9.222 -10.411 1.00 0.00 C ATOM 847 CZ TYR A 53 10.031 -8.515 -11.057 1.00 0.00 C ATOM 848 OH TYR A 53 10.593 -9.019 -12.207 1.00 0.00 O ATOM 0 H TYR A 53 7.982 -4.299 -6.716 1.00 0.00 H new ATOM 0 HA TYR A 53 6.758 -6.094 -8.729 1.00 0.00 H new ATOM 0 HB2 TYR A 53 9.054 -6.459 -6.874 1.00 0.00 H new ATOM 0 HB3 TYR A 53 7.888 -7.767 -6.871 1.00 0.00 H new ATOM 0 HD1 TYR A 53 10.238 -5.855 -9.010 1.00 0.00 H new ATOM 0 HD2 TYR A 53 7.697 -9.266 -8.755 1.00 0.00 H new ATOM 0 HE1 TYR A 53 11.242 -6.754 -11.062 1.00 0.00 H new ATOM 0 HE2 TYR A 53 8.702 -10.170 -10.805 1.00 0.00 H new ATOM 0 HH TYR A 53 9.891 -9.179 -12.871 1.00 0.00 H new ATOM 858 N CYS A 54 4.800 -6.275 -7.236 1.00 0.00 N ATOM 859 CA CYS A 54 3.632 -6.489 -6.389 1.00 0.00 C ATOM 860 C CYS A 54 2.428 -6.918 -7.222 1.00 0.00 C ATOM 861 O CYS A 54 2.082 -8.098 -7.269 1.00 0.00 O ATOM 862 CB CYS A 54 3.300 -5.214 -5.612 1.00 0.00 C ATOM 863 SG CYS A 54 3.865 -5.230 -3.880 1.00 0.00 S ATOM 0 H CYS A 54 4.594 -6.224 -8.234 1.00 0.00 H new ATOM 0 HA CYS A 54 3.866 -7.286 -5.683 1.00 0.00 H new ATOM 0 HB2 CYS A 54 3.751 -4.363 -6.122 1.00 0.00 H new ATOM 0 HB3 CYS A 54 2.221 -5.061 -5.630 1.00 0.00 H new