USER MOD reduce.3.24.130724 H: found=0, std=0, add=395, rem=0, adj=8 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= -0.325 K(o=-2.7,f=-3.7!) USER MOD Set 1.2: A 25 ASN : amide:sc= -2.34 X(o=-2.7,f=-2.5) USER MOD Set 2.1: A 17 GLN : amide:sc= -2.11! C(o=-1.4!,f=-2.1!) USER MOD Set 2.2: A 41 TYR OH : rot 180:sc= 0.679 USER MOD Set 3.1: A 11 TYR OH : rot 133:sc= -0.566 USER MOD Set 3.2: A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 3.3: A 23 GLN : amide:sc= 0 X(o=-0.57,f=-0.67) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 10 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 LYS NZ :NH3+ -167:sc= 0.907 (180deg=0.428!) USER MOD Single : A 33 HIS : no HD1:sc= -0.0896 X(o=-0.09,f=-0.28) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 ASN : amide:sc= -2.82 K(o=-2.8,f=-16!) USER MOD Single : A 48 GLN : amide:sc= -1.98 X(o=-2,f=-1.6!) USER MOD Single : A 53 TYR OH : rot -119:sc= 0.512 USER MOD ----------------------------------------------------------------- ATOM 52 N CYS A 4 7.344 -2.473 -1.659 1.00 0.00 N ATOM 53 CA CYS A 4 8.042 -3.542 -2.363 1.00 0.00 C ATOM 54 C CYS A 4 8.771 -3.000 -3.590 1.00 0.00 C ATOM 55 O CYS A 4 8.234 -2.176 -4.331 1.00 0.00 O ATOM 56 CB CYS A 4 7.056 -4.634 -2.783 1.00 0.00 C ATOM 57 SG CYS A 4 5.496 -4.000 -3.478 1.00 0.00 S ATOM 0 HA CYS A 4 8.779 -3.970 -1.683 1.00 0.00 H new ATOM 0 HB2 CYS A 4 7.535 -5.277 -3.521 1.00 0.00 H new ATOM 0 HB3 CYS A 4 6.829 -5.256 -1.917 1.00 0.00 H new ATOM 62 N LYS A 5 9.996 -3.469 -3.798 1.00 0.00 N ATOM 63 CA LYS A 5 10.799 -3.034 -4.935 1.00 0.00 C ATOM 64 C LYS A 5 12.008 -3.945 -5.127 1.00 0.00 C ATOM 65 O LYS A 5 12.292 -4.803 -4.290 1.00 0.00 O ATOM 66 CB LYS A 5 11.263 -1.590 -4.735 1.00 0.00 C ATOM 67 CG LYS A 5 12.371 -1.443 -3.707 1.00 0.00 C ATOM 68 CD LYS A 5 11.937 -0.570 -2.541 1.00 0.00 C ATOM 69 CE LYS A 5 13.050 0.370 -2.104 1.00 0.00 C ATOM 70 NZ LYS A 5 14.183 -0.366 -1.477 1.00 0.00 N ATOM 0 H LYS A 5 10.455 -4.151 -3.194 1.00 0.00 H new ATOM 0 HA LYS A 5 10.178 -3.089 -5.829 1.00 0.00 H new ATOM 0 HB2 LYS A 5 11.610 -1.193 -5.689 1.00 0.00 H new ATOM 0 HB3 LYS A 5 10.411 -0.983 -4.428 1.00 0.00 H new ATOM 0 HG2 LYS A 5 12.659 -2.427 -3.338 1.00 0.00 H new ATOM 0 HG3 LYS A 5 13.252 -1.009 -4.180 1.00 0.00 H new ATOM 0 HD2 LYS A 5 11.060 0.011 -2.827 1.00 0.00 H new ATOM 0 HD3 LYS A 5 11.642 -1.201 -1.703 1.00 0.00 H new ATOM 0 HE2 LYS A 5 13.413 0.929 -2.967 1.00 0.00 H new ATOM 0 HE3 LYS A 5 12.654 1.098 -1.396 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 14.921 0.310 -1.193 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 13.842 -0.879 -0.639 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 14.578 -1.043 -2.161 1.00 0.00 H new ATOM 84 N LYS A 6 12.718 -3.752 -6.233 1.00 0.00 N ATOM 85 CA LYS A 6 13.898 -4.554 -6.535 1.00 0.00 C ATOM 86 C LYS A 6 14.941 -3.727 -7.279 1.00 0.00 C ATOM 87 O LYS A 6 14.729 -3.326 -8.424 1.00 0.00 O ATOM 88 CB LYS A 6 13.510 -5.776 -7.370 1.00 0.00 C ATOM 89 CG LYS A 6 12.738 -6.826 -6.589 1.00 0.00 C ATOM 90 CD LYS A 6 12.648 -8.136 -7.354 1.00 0.00 C ATOM 91 CE LYS A 6 13.566 -9.193 -6.760 1.00 0.00 C ATOM 92 NZ LYS A 6 14.256 -9.985 -7.815 1.00 0.00 N ATOM 0 H LYS A 6 12.497 -3.047 -6.936 1.00 0.00 H new ATOM 0 HA LYS A 6 14.330 -4.889 -5.592 1.00 0.00 H new ATOM 0 HB2 LYS A 6 12.907 -5.450 -8.218 1.00 0.00 H new ATOM 0 HB3 LYS A 6 14.414 -6.229 -7.777 1.00 0.00 H new ATOM 0 HG2 LYS A 6 13.224 -6.997 -5.629 1.00 0.00 H new ATOM 0 HG3 LYS A 6 11.734 -6.458 -6.377 1.00 0.00 H new ATOM 0 HD2 LYS A 6 11.619 -8.497 -7.340 1.00 0.00 H new ATOM 0 HD3 LYS A 6 12.913 -7.968 -8.398 1.00 0.00 H new ATOM 0 HE2 LYS A 6 14.308 -8.712 -6.123 1.00 0.00 H new ATOM 0 HE3 LYS A 6 12.986 -9.862 -6.125 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 14.872 -10.694 -7.369 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 13.549 -10.464 -8.408 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 14.830 -9.350 -8.406 1.00 0.00 H new ATOM 106 N VAL A 7 16.070 -3.477 -6.623 1.00 0.00 N ATOM 107 CA VAL A 7 17.148 -2.700 -7.224 1.00 0.00 C ATOM 108 C VAL A 7 17.854 -3.495 -8.317 1.00 0.00 C ATOM 109 O VAL A 7 18.069 -4.700 -8.183 1.00 0.00 O ATOM 110 CB VAL A 7 18.183 -2.267 -6.169 1.00 0.00 C ATOM 111 CG1 VAL A 7 19.365 -1.576 -6.832 1.00 0.00 C ATOM 112 CG2 VAL A 7 17.538 -1.360 -5.132 1.00 0.00 C ATOM 0 H VAL A 7 16.262 -3.801 -5.675 1.00 0.00 H new ATOM 0 HA VAL A 7 16.693 -1.811 -7.661 1.00 0.00 H new ATOM 0 HB VAL A 7 18.552 -3.158 -5.661 1.00 0.00 H new ATOM 0 HG11 VAL A 7 20.086 -1.277 -6.071 1.00 0.00 H new ATOM 0 HG12 VAL A 7 19.841 -2.262 -7.533 1.00 0.00 H new ATOM 0 HG13 VAL A 7 19.017 -0.693 -7.368 1.00 0.00 H new ATOM 0 HG21 VAL A 7 18.283 -1.063 -4.394 1.00 0.00 H new ATOM 0 HG22 VAL A 7 17.140 -0.472 -5.623 1.00 0.00 H new ATOM 0 HG23 VAL A 7 16.728 -1.894 -4.635 1.00 0.00 H new ATOM 122 N TYR A 8 18.213 -2.812 -9.398 1.00 0.00 N ATOM 123 CA TYR A 8 18.894 -3.454 -10.516 1.00 0.00 C ATOM 124 C TYR A 8 20.321 -2.933 -10.657 1.00 0.00 C ATOM 125 O TYR A 8 20.601 -2.079 -11.497 1.00 0.00 O ATOM 126 CB TYR A 8 18.122 -3.217 -11.815 1.00 0.00 C ATOM 127 CG TYR A 8 18.526 -4.146 -12.938 1.00 0.00 C ATOM 128 CD1 TYR A 8 18.800 -5.485 -12.693 1.00 0.00 C ATOM 129 CD2 TYR A 8 18.631 -3.684 -14.244 1.00 0.00 C ATOM 130 CE1 TYR A 8 19.170 -6.337 -13.715 1.00 0.00 C ATOM 131 CE2 TYR A 8 18.998 -4.529 -15.273 1.00 0.00 C ATOM 132 CZ TYR A 8 19.267 -5.854 -15.004 1.00 0.00 C ATOM 133 OH TYR A 8 19.634 -6.700 -16.025 1.00 0.00 O ATOM 0 H TYR A 8 18.044 -1.814 -9.524 1.00 0.00 H new ATOM 0 HA TYR A 8 18.936 -4.525 -10.316 1.00 0.00 H new ATOM 0 HB2 TYR A 8 17.056 -3.337 -11.621 1.00 0.00 H new ATOM 0 HB3 TYR A 8 18.274 -2.186 -12.135 1.00 0.00 H new ATOM 0 HD1 TYR A 8 18.722 -5.867 -11.686 1.00 0.00 H new ATOM 0 HD2 TYR A 8 18.422 -2.646 -14.458 1.00 0.00 H new ATOM 0 HE1 TYR A 8 19.382 -7.375 -13.507 1.00 0.00 H new ATOM 0 HE2 TYR A 8 19.074 -4.154 -16.283 1.00 0.00 H new ATOM 0 HH TYR A 8 19.654 -6.204 -16.870 1.00 0.00 H new ATOM 143 N GLU A 9 21.220 -3.455 -9.828 1.00 0.00 N ATOM 144 CA GLU A 9 22.618 -3.043 -9.860 1.00 0.00 C ATOM 145 C GLU A 9 23.212 -3.241 -11.251 1.00 0.00 C ATOM 146 O GLU A 9 24.217 -2.624 -11.602 1.00 0.00 O ATOM 147 CB GLU A 9 23.429 -3.831 -8.829 1.00 0.00 C ATOM 148 CG GLU A 9 22.837 -3.793 -7.430 1.00 0.00 C ATOM 149 CD GLU A 9 23.696 -4.519 -6.413 1.00 0.00 C ATOM 150 OE1 GLU A 9 24.932 -4.548 -6.592 1.00 0.00 O ATOM 151 OE2 GLU A 9 23.133 -5.057 -5.438 1.00 0.00 O ATOM 0 H GLU A 9 21.005 -4.164 -9.127 1.00 0.00 H new ATOM 0 HA GLU A 9 22.663 -1.982 -9.613 1.00 0.00 H new ATOM 0 HB2 GLU A 9 23.504 -4.869 -9.154 1.00 0.00 H new ATOM 0 HB3 GLU A 9 24.443 -3.433 -8.796 1.00 0.00 H new ATOM 0 HG2 GLU A 9 22.713 -2.755 -7.120 1.00 0.00 H new ATOM 0 HG3 GLU A 9 21.844 -4.242 -7.448 1.00 0.00 H new ATOM 158 N ASN A 10 22.584 -4.108 -12.038 1.00 0.00 N ATOM 159 CA ASN A 10 23.051 -4.390 -13.391 1.00 0.00 C ATOM 160 C ASN A 10 22.455 -3.402 -14.389 1.00 0.00 C ATOM 161 O ASN A 10 21.902 -3.797 -15.416 1.00 0.00 O ATOM 162 CB ASN A 10 22.684 -5.820 -13.792 1.00 0.00 C ATOM 163 CG ASN A 10 23.690 -6.837 -13.289 1.00 0.00 C ATOM 164 OD1 ASN A 10 24.546 -7.304 -14.041 1.00 0.00 O ATOM 165 ND2 ASN A 10 23.591 -7.186 -12.011 1.00 0.00 N ATOM 0 H ASN A 10 21.751 -4.628 -11.763 1.00 0.00 H new ATOM 0 HA ASN A 10 24.136 -4.283 -13.404 1.00 0.00 H new ATOM 0 HB2 ASN A 10 21.697 -6.063 -13.398 1.00 0.00 H new ATOM 0 HB3 ASN A 10 22.618 -5.884 -14.878 1.00 0.00 H new ATOM 0 HD21 ASN A 10 24.240 -7.867 -11.616 1.00 0.00 H new ATOM 0 HD22 ASN A 10 22.866 -6.773 -11.424 1.00 0.00 H new ATOM 172 N TYR A 11 22.571 -2.115 -14.080 1.00 0.00 N ATOM 173 CA TYR A 11 22.042 -1.070 -14.949 1.00 0.00 C ATOM 174 C TYR A 11 22.881 0.201 -14.845 1.00 0.00 C ATOM 175 O TYR A 11 23.329 0.593 -13.767 1.00 0.00 O ATOM 176 CB TYR A 11 20.588 -0.765 -14.588 1.00 0.00 C ATOM 177 CG TYR A 11 19.703 -0.524 -15.791 1.00 0.00 C ATOM 178 CD1 TYR A 11 19.531 -1.505 -16.759 1.00 0.00 C ATOM 179 CD2 TYR A 11 19.040 0.685 -15.958 1.00 0.00 C ATOM 180 CE1 TYR A 11 18.724 -1.288 -17.859 1.00 0.00 C ATOM 181 CE2 TYR A 11 18.230 0.910 -17.054 1.00 0.00 C ATOM 182 CZ TYR A 11 18.076 -0.079 -18.003 1.00 0.00 C ATOM 183 OH TYR A 11 17.271 0.140 -19.097 1.00 0.00 O ATOM 0 H TYR A 11 23.026 -1.771 -13.235 1.00 0.00 H new ATOM 0 HA TYR A 11 22.086 -1.430 -15.977 1.00 0.00 H new ATOM 0 HB2 TYR A 11 20.184 -1.596 -14.011 1.00 0.00 H new ATOM 0 HB3 TYR A 11 20.559 0.114 -13.944 1.00 0.00 H new ATOM 0 HD1 TYR A 11 20.037 -2.453 -16.650 1.00 0.00 H new ATOM 0 HD2 TYR A 11 19.160 1.463 -15.218 1.00 0.00 H new ATOM 0 HE1 TYR A 11 18.601 -2.061 -18.603 1.00 0.00 H new ATOM 0 HE2 TYR A 11 17.720 1.855 -17.167 1.00 0.00 H new ATOM 0 HH TYR A 11 16.418 0.524 -18.804 1.00 0.00 H new ATOM 193 N PRO A 12 23.098 0.860 -15.992 1.00 0.00 N ATOM 194 CA PRO A 12 23.882 2.097 -16.057 1.00 0.00 C ATOM 195 C PRO A 12 23.165 3.273 -15.403 1.00 0.00 C ATOM 196 O PRO A 12 22.044 3.616 -15.777 1.00 0.00 O ATOM 197 CB PRO A 12 24.041 2.337 -17.561 1.00 0.00 C ATOM 198 CG PRO A 12 22.875 1.647 -18.180 1.00 0.00 C ATOM 199 CD PRO A 12 22.595 0.450 -17.314 1.00 0.00 C ATOM 0 HA PRO A 12 24.828 2.009 -15.523 1.00 0.00 H new ATOM 0 HB2 PRO A 12 24.040 3.402 -17.794 1.00 0.00 H new ATOM 0 HB3 PRO A 12 24.983 1.930 -17.929 1.00 0.00 H new ATOM 0 HG2 PRO A 12 22.009 2.308 -18.225 1.00 0.00 H new ATOM 0 HG3 PRO A 12 23.098 1.345 -19.203 1.00 0.00 H new ATOM 0 HD2 PRO A 12 21.531 0.216 -17.284 1.00 0.00 H new ATOM 0 HD3 PRO A 12 23.107 -0.440 -17.681 1.00 0.00 H new ATOM 207 N VAL A 13 23.820 3.888 -14.423 1.00 0.00 N ATOM 208 CA VAL A 13 23.246 5.027 -13.717 1.00 0.00 C ATOM 209 C VAL A 13 22.968 6.183 -14.672 1.00 0.00 C ATOM 210 O VAL A 13 22.190 7.085 -14.362 1.00 0.00 O ATOM 211 CB VAL A 13 24.177 5.518 -12.593 1.00 0.00 C ATOM 212 CG1 VAL A 13 24.592 4.360 -11.699 1.00 0.00 C ATOM 213 CG2 VAL A 13 25.396 6.215 -13.177 1.00 0.00 C ATOM 0 H VAL A 13 24.749 3.616 -14.100 1.00 0.00 H new ATOM 0 HA VAL A 13 22.307 4.687 -13.279 1.00 0.00 H new ATOM 0 HB VAL A 13 23.632 6.239 -11.983 1.00 0.00 H new ATOM 0 HG11 VAL A 13 25.250 4.726 -10.911 1.00 0.00 H new ATOM 0 HG12 VAL A 13 23.706 3.910 -11.252 1.00 0.00 H new ATOM 0 HG13 VAL A 13 25.119 3.613 -12.293 1.00 0.00 H new ATOM 0 HG21 VAL A 13 26.043 6.555 -12.368 1.00 0.00 H new ATOM 0 HG22 VAL A 13 25.944 5.519 -13.811 1.00 0.00 H new ATOM 0 HG23 VAL A 13 25.076 7.071 -13.770 1.00 0.00 H new ATOM 223 N SER A 14 23.608 6.148 -15.837 1.00 0.00 N ATOM 224 CA SER A 14 23.432 7.194 -16.837 1.00 0.00 C ATOM 225 C SER A 14 22.003 7.201 -17.370 1.00 0.00 C ATOM 226 O SER A 14 21.335 8.235 -17.376 1.00 0.00 O ATOM 227 CB SER A 14 24.417 6.996 -17.991 1.00 0.00 C ATOM 228 OG SER A 14 25.296 8.102 -18.106 1.00 0.00 O ATOM 0 H SER A 14 24.253 5.407 -16.111 1.00 0.00 H new ATOM 0 HA SER A 14 23.629 8.155 -16.361 1.00 0.00 H new ATOM 0 HB2 SER A 14 24.993 6.085 -17.829 1.00 0.00 H new ATOM 0 HB3 SER A 14 23.868 6.865 -18.924 1.00 0.00 H new ATOM 0 HG SER A 14 25.917 7.951 -18.849 1.00 0.00 H new ATOM 234 N LYS A 15 21.539 6.039 -17.818 1.00 0.00 N ATOM 235 CA LYS A 15 20.189 5.908 -18.352 1.00 0.00 C ATOM 236 C LYS A 15 19.150 6.312 -17.311 1.00 0.00 C ATOM 237 O LYS A 15 18.059 6.769 -17.652 1.00 0.00 O ATOM 238 CB LYS A 15 19.936 4.470 -18.809 1.00 0.00 C ATOM 239 CG LYS A 15 20.027 4.285 -20.314 1.00 0.00 C ATOM 240 CD LYS A 15 19.347 3.001 -20.760 1.00 0.00 C ATOM 241 CE LYS A 15 20.344 2.023 -21.363 1.00 0.00 C ATOM 242 NZ LYS A 15 19.665 0.930 -22.112 1.00 0.00 N ATOM 0 H LYS A 15 22.079 5.174 -17.822 1.00 0.00 H new ATOM 0 HA LYS A 15 20.098 6.576 -19.208 1.00 0.00 H new ATOM 0 HB2 LYS A 15 20.658 3.812 -18.326 1.00 0.00 H new ATOM 0 HB3 LYS A 15 18.947 4.159 -18.472 1.00 0.00 H new ATOM 0 HG2 LYS A 15 19.565 5.136 -20.815 1.00 0.00 H new ATOM 0 HG3 LYS A 15 21.074 4.268 -20.617 1.00 0.00 H new ATOM 0 HD2 LYS A 15 18.850 2.537 -19.908 1.00 0.00 H new ATOM 0 HD3 LYS A 15 18.574 3.233 -21.493 1.00 0.00 H new ATOM 0 HE2 LYS A 15 21.018 2.558 -22.032 1.00 0.00 H new ATOM 0 HE3 LYS A 15 20.957 1.594 -20.570 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 20.378 0.285 -22.507 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 19.041 0.403 -21.468 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 19.100 1.337 -22.885 1.00 0.00 H new ATOM 256 N CYS A 16 19.496 6.142 -16.039 1.00 0.00 N ATOM 257 CA CYS A 16 18.595 6.489 -14.948 1.00 0.00 C ATOM 258 C CYS A 16 18.465 8.004 -14.810 1.00 0.00 C ATOM 259 O CYS A 16 17.383 8.521 -14.534 1.00 0.00 O ATOM 260 CB CYS A 16 19.096 5.888 -13.633 1.00 0.00 C ATOM 261 SG CYS A 16 18.398 4.249 -13.251 1.00 0.00 S ATOM 0 H CYS A 16 20.395 5.765 -15.739 1.00 0.00 H new ATOM 0 HA CYS A 16 17.612 6.077 -15.177 1.00 0.00 H new ATOM 0 HB2 CYS A 16 20.182 5.808 -13.673 1.00 0.00 H new ATOM 0 HB3 CYS A 16 18.856 6.572 -12.819 1.00 0.00 H new ATOM 266 N GLN A 17 19.576 8.707 -15.005 1.00 0.00 N ATOM 267 CA GLN A 17 19.587 10.161 -14.902 1.00 0.00 C ATOM 268 C GLN A 17 18.975 10.800 -16.144 1.00 0.00 C ATOM 269 O GLN A 17 18.667 11.992 -16.155 1.00 0.00 O ATOM 270 CB GLN A 17 21.016 10.669 -14.704 1.00 0.00 C ATOM 271 CG GLN A 17 21.616 10.290 -13.360 1.00 0.00 C ATOM 272 CD GLN A 17 21.219 11.247 -12.253 1.00 0.00 C ATOM 273 OE1 GLN A 17 20.183 11.909 -12.330 1.00 0.00 O ATOM 274 NE2 GLN A 17 22.042 11.325 -11.214 1.00 0.00 N ATOM 0 H GLN A 17 20.480 8.293 -15.235 1.00 0.00 H new ATOM 0 HA GLN A 17 18.986 10.443 -14.037 1.00 0.00 H new ATOM 0 HB2 GLN A 17 21.647 10.272 -15.499 1.00 0.00 H new ATOM 0 HB3 GLN A 17 21.024 11.754 -14.803 1.00 0.00 H new ATOM 0 HG2 GLN A 17 21.297 9.282 -13.095 1.00 0.00 H new ATOM 0 HG3 GLN A 17 22.703 10.269 -13.444 1.00 0.00 H new ATOM 0 HE21 GLN A 17 22.890 10.758 -11.191 1.00 0.00 H new ATOM 0 HE22 GLN A 17 21.826 11.952 -10.439 1.00 0.00 H new ATOM 283 N LEU A 18 18.801 9.999 -17.190 1.00 0.00 N ATOM 284 CA LEU A 18 18.226 10.485 -18.439 1.00 0.00 C ATOM 285 C LEU A 18 16.738 10.778 -18.276 1.00 0.00 C ATOM 286 O LEU A 18 15.891 9.956 -18.626 1.00 0.00 O ATOM 287 CB LEU A 18 18.436 9.459 -19.554 1.00 0.00 C ATOM 288 CG LEU A 18 19.656 9.681 -20.449 1.00 0.00 C ATOM 289 CD1 LEU A 18 20.083 8.376 -21.102 1.00 0.00 C ATOM 290 CD2 LEU A 18 19.359 10.736 -21.505 1.00 0.00 C ATOM 0 H LEU A 18 19.050 9.010 -17.198 1.00 0.00 H new ATOM 0 HA LEU A 18 18.733 11.412 -18.707 1.00 0.00 H new ATOM 0 HB2 LEU A 18 18.518 8.471 -19.101 1.00 0.00 H new ATOM 0 HB3 LEU A 18 17.546 9.448 -20.183 1.00 0.00 H new ATOM 0 HG LEU A 18 20.477 10.039 -19.828 1.00 0.00 H new ATOM 0 HD11 LEU A 18 20.952 8.553 -21.735 1.00 0.00 H new ATOM 0 HD12 LEU A 18 20.338 7.649 -20.330 1.00 0.00 H new ATOM 0 HD13 LEU A 18 19.265 7.988 -21.709 1.00 0.00 H new ATOM 0 HD21 LEU A 18 20.239 10.881 -22.132 1.00 0.00 H new ATOM 0 HD22 LEU A 18 18.523 10.408 -22.122 1.00 0.00 H new ATOM 0 HD23 LEU A 18 19.103 11.677 -21.018 1.00 0.00 H new ATOM 302 N ARG A 19 16.427 11.956 -17.744 1.00 0.00 N ATOM 303 CA ARG A 19 15.041 12.358 -17.536 1.00 0.00 C ATOM 304 C ARG A 19 14.293 12.440 -18.864 1.00 0.00 C ATOM 305 O ARG A 19 13.069 12.317 -18.906 1.00 0.00 O ATOM 306 CB ARG A 19 14.981 13.709 -16.820 1.00 0.00 C ATOM 307 CG ARG A 19 14.340 13.641 -15.444 1.00 0.00 C ATOM 308 CD ARG A 19 12.843 13.392 -15.539 1.00 0.00 C ATOM 309 NE ARG A 19 12.232 13.219 -14.224 1.00 0.00 N ATOM 310 CZ ARG A 19 11.987 14.223 -13.390 1.00 0.00 C ATOM 311 NH1 ARG A 19 12.298 15.466 -13.733 1.00 0.00 N ATOM 312 NH2 ARG A 19 11.429 13.986 -12.210 1.00 0.00 N ATOM 0 H ARG A 19 17.116 12.648 -17.449 1.00 0.00 H new ATOM 0 HA ARG A 19 14.560 11.603 -16.914 1.00 0.00 H new ATOM 0 HB2 ARG A 19 15.992 14.104 -16.721 1.00 0.00 H new ATOM 0 HB3 ARG A 19 14.423 14.413 -17.437 1.00 0.00 H new ATOM 0 HG2 ARG A 19 14.806 12.845 -14.863 1.00 0.00 H new ATOM 0 HG3 ARG A 19 14.522 14.574 -14.910 1.00 0.00 H new ATOM 0 HD2 ARG A 19 12.368 14.228 -16.052 1.00 0.00 H new ATOM 0 HD3 ARG A 19 12.661 12.503 -16.143 1.00 0.00 H new ATOM 0 HE ARG A 19 11.980 12.275 -13.930 1.00 0.00 H new ATOM 0 HH11 ARG A 19 12.727 15.653 -14.640 1.00 0.00 H new ATOM 0 HH12 ARG A 19 12.109 16.235 -13.090 1.00 0.00 H new ATOM 0 HH21 ARG A 19 11.188 13.032 -11.942 1.00 0.00 H new ATOM 0 HH22 ARG A 19 11.241 14.758 -11.570 1.00 0.00 H new ATOM 326 N ILE A 20 15.037 12.650 -19.944 1.00 0.00 N ATOM 327 CA ILE A 20 14.445 12.748 -21.272 1.00 0.00 C ATOM 328 C ILE A 20 14.096 11.369 -21.821 1.00 0.00 C ATOM 329 O ILE A 20 13.161 11.221 -22.608 1.00 0.00 O ATOM 330 CB ILE A 20 15.391 13.457 -22.259 1.00 0.00 C ATOM 331 CG1 ILE A 20 15.983 14.714 -21.619 1.00 0.00 C ATOM 332 CG2 ILE A 20 14.651 13.808 -23.542 1.00 0.00 C ATOM 333 CD1 ILE A 20 16.923 15.471 -22.531 1.00 0.00 C ATOM 0 H ILE A 20 16.051 12.756 -19.926 1.00 0.00 H new ATOM 0 HA ILE A 20 13.533 13.337 -21.169 1.00 0.00 H new ATOM 0 HB ILE A 20 16.208 12.779 -22.507 1.00 0.00 H new ATOM 0 HG12 ILE A 20 15.171 15.376 -21.318 1.00 0.00 H new ATOM 0 HG13 ILE A 20 16.518 14.433 -20.712 1.00 0.00 H new ATOM 0 HG21 ILE A 20 15.333 14.309 -24.230 1.00 0.00 H new ATOM 0 HG22 ILE A 20 14.273 12.897 -24.005 1.00 0.00 H new ATOM 0 HG23 ILE A 20 13.817 14.471 -23.311 1.00 0.00 H new ATOM 0 HD11 ILE A 20 17.305 16.350 -22.012 1.00 0.00 H new ATOM 0 HD12 ILE A 20 17.755 14.826 -22.812 1.00 0.00 H new ATOM 0 HD13 ILE A 20 16.387 15.783 -23.427 1.00 0.00 H new ATOM 345 N ALA A 21 14.852 10.361 -21.400 1.00 0.00 N ATOM 346 CA ALA A 21 14.621 8.993 -21.846 1.00 0.00 C ATOM 347 C ALA A 21 14.960 7.992 -20.747 1.00 0.00 C ATOM 348 O ALA A 21 16.048 7.417 -20.732 1.00 0.00 O ATOM 349 CB ALA A 21 15.435 8.701 -23.098 1.00 0.00 C ATOM 0 H ALA A 21 15.631 10.466 -20.750 1.00 0.00 H new ATOM 0 HA ALA A 21 13.562 8.889 -22.082 1.00 0.00 H new ATOM 0 HB1 ALA A 21 15.253 7.676 -23.420 1.00 0.00 H new ATOM 0 HB2 ALA A 21 15.141 9.388 -23.892 1.00 0.00 H new ATOM 0 HB3 ALA A 21 16.495 8.830 -22.881 1.00 0.00 H new ATOM 355 N ASN A 22 14.022 7.789 -19.828 1.00 0.00 N ATOM 356 CA ASN A 22 14.223 6.857 -18.723 1.00 0.00 C ATOM 357 C ASN A 22 13.960 5.422 -19.168 1.00 0.00 C ATOM 358 O ASN A 22 12.846 4.916 -19.037 1.00 0.00 O ATOM 359 CB ASN A 22 13.306 7.217 -17.552 1.00 0.00 C ATOM 360 CG ASN A 22 13.913 6.855 -16.211 1.00 0.00 C ATOM 361 OD1 ASN A 22 15.132 6.880 -16.041 1.00 0.00 O ATOM 362 ND2 ASN A 22 13.063 6.516 -15.249 1.00 0.00 N ATOM 0 H ASN A 22 13.116 8.257 -19.826 1.00 0.00 H new ATOM 0 HA ASN A 22 15.261 6.933 -18.399 1.00 0.00 H new ATOM 0 HB2 ASN A 22 13.094 8.286 -17.575 1.00 0.00 H new ATOM 0 HB3 ASN A 22 12.353 6.700 -17.668 1.00 0.00 H new ATOM 0 HD21 ASN A 22 13.413 6.263 -14.325 1.00 0.00 H new ATOM 0 HD22 ASN A 22 12.060 6.509 -15.434 1.00 0.00 H new ATOM 369 N GLN A 23 14.994 4.772 -19.692 1.00 0.00 N ATOM 370 CA GLN A 23 14.875 3.395 -20.156 1.00 0.00 C ATOM 371 C GLN A 23 14.836 2.425 -18.979 1.00 0.00 C ATOM 372 O GLN A 23 14.658 1.220 -19.159 1.00 0.00 O ATOM 373 CB GLN A 23 16.039 3.043 -21.083 1.00 0.00 C ATOM 374 CG GLN A 23 15.611 2.739 -22.510 1.00 0.00 C ATOM 375 CD GLN A 23 15.125 1.314 -22.682 1.00 0.00 C ATOM 376 OE1 GLN A 23 15.835 0.360 -22.360 1.00 0.00 O ATOM 377 NE2 GLN A 23 13.908 1.161 -23.192 1.00 0.00 N ATOM 0 H GLN A 23 15.923 5.177 -19.806 1.00 0.00 H new ATOM 0 HA GLN A 23 13.940 3.305 -20.709 1.00 0.00 H new ATOM 0 HB2 GLN A 23 16.747 3.872 -21.094 1.00 0.00 H new ATOM 0 HB3 GLN A 23 16.566 2.179 -20.679 1.00 0.00 H new ATOM 0 HG2 GLN A 23 14.818 3.427 -22.802 1.00 0.00 H new ATOM 0 HG3 GLN A 23 16.450 2.916 -23.183 1.00 0.00 H new ATOM 0 HE21 GLN A 23 13.354 1.980 -23.445 1.00 0.00 H new ATOM 0 HE22 GLN A 23 13.527 0.225 -23.331 1.00 0.00 H new ATOM 386 N CYS A 24 15.004 2.959 -17.774 1.00 0.00 N ATOM 387 CA CYS A 24 14.989 2.142 -16.566 1.00 0.00 C ATOM 388 C CYS A 24 13.602 1.552 -16.326 1.00 0.00 C ATOM 389 O CYS A 24 13.423 0.335 -16.342 1.00 0.00 O ATOM 390 CB CYS A 24 15.417 2.975 -15.357 1.00 0.00 C ATOM 391 SG CYS A 24 14.981 2.233 -13.751 1.00 0.00 S ATOM 0 H CYS A 24 15.152 3.954 -17.608 1.00 0.00 H new ATOM 0 HA CYS A 24 15.695 1.323 -16.702 1.00 0.00 H new ATOM 0 HB2 CYS A 24 16.496 3.124 -15.395 1.00 0.00 H new ATOM 0 HB3 CYS A 24 14.957 3.961 -15.427 1.00 0.00 H new ATOM 396 N ASN A 25 12.624 2.424 -16.104 1.00 0.00 N ATOM 397 CA ASN A 25 11.254 1.990 -15.860 1.00 0.00 C ATOM 398 C ASN A 25 10.767 1.070 -16.976 1.00 0.00 C ATOM 399 O ASN A 25 10.059 0.095 -16.726 1.00 0.00 O ATOM 400 CB ASN A 25 10.326 3.201 -15.741 1.00 0.00 C ATOM 401 CG ASN A 25 10.031 3.837 -17.086 1.00 0.00 C ATOM 402 OD1 ASN A 25 9.234 3.319 -17.868 1.00 0.00 O ATOM 403 ND2 ASN A 25 10.674 4.966 -17.361 1.00 0.00 N ATOM 0 H ASN A 25 12.755 3.435 -16.088 1.00 0.00 H new ATOM 0 HA ASN A 25 11.238 1.435 -14.922 1.00 0.00 H new ATOM 0 HB2 ASN A 25 9.390 2.894 -15.274 1.00 0.00 H new ATOM 0 HB3 ASN A 25 10.782 3.942 -15.084 1.00 0.00 H new ATOM 0 HD21 ASN A 25 10.516 5.439 -18.250 1.00 0.00 H new ATOM 0 HD22 ASN A 25 11.326 5.360 -16.683 1.00 0.00 H new ATOM 410 N TYR A 26 11.153 1.388 -18.207 1.00 0.00 N ATOM 411 CA TYR A 26 10.755 0.592 -19.362 1.00 0.00 C ATOM 412 C TYR A 26 11.475 -0.753 -19.370 1.00 0.00 C ATOM 413 O TYR A 26 10.887 -1.783 -19.701 1.00 0.00 O ATOM 414 CB TYR A 26 11.052 1.350 -20.657 1.00 0.00 C ATOM 415 CG TYR A 26 9.965 1.217 -21.699 1.00 0.00 C ATOM 416 CD1 TYR A 26 9.871 0.081 -22.492 1.00 0.00 C ATOM 417 CD2 TYR A 26 9.031 2.229 -21.890 1.00 0.00 C ATOM 418 CE1 TYR A 26 8.880 -0.045 -23.446 1.00 0.00 C ATOM 419 CE2 TYR A 26 8.036 2.111 -22.841 1.00 0.00 C ATOM 420 CZ TYR A 26 7.964 0.972 -23.616 1.00 0.00 C ATOM 421 OH TYR A 26 6.975 0.852 -24.565 1.00 0.00 O ATOM 0 H TYR A 26 11.741 2.191 -18.430 1.00 0.00 H new ATOM 0 HA TYR A 26 9.683 0.409 -19.294 1.00 0.00 H new ATOM 0 HB2 TYR A 26 11.195 2.406 -20.426 1.00 0.00 H new ATOM 0 HB3 TYR A 26 11.991 0.985 -21.075 1.00 0.00 H new ATOM 0 HD1 TYR A 26 10.585 -0.718 -22.361 1.00 0.00 H new ATOM 0 HD2 TYR A 26 9.084 3.122 -21.285 1.00 0.00 H new ATOM 0 HE1 TYR A 26 8.823 -0.935 -24.055 1.00 0.00 H new ATOM 0 HE2 TYR A 26 7.318 2.906 -22.977 1.00 0.00 H new ATOM 0 HH TYR A 26 6.413 1.655 -24.555 1.00 0.00 H new ATOM 431 N ASP A 27 12.752 -0.735 -19.004 1.00 0.00 N ATOM 432 CA ASP A 27 13.554 -1.953 -18.967 1.00 0.00 C ATOM 433 C ASP A 27 13.026 -2.919 -17.912 1.00 0.00 C ATOM 434 O ASP A 27 12.968 -4.129 -18.135 1.00 0.00 O ATOM 435 CB ASP A 27 15.018 -1.616 -18.682 1.00 0.00 C ATOM 436 CG ASP A 27 15.811 -2.824 -18.224 1.00 0.00 C ATOM 437 OD1 ASP A 27 15.713 -3.181 -17.031 1.00 0.00 O ATOM 438 OD2 ASP A 27 16.530 -3.413 -19.058 1.00 0.00 O ATOM 0 H ASP A 27 13.254 0.109 -18.729 1.00 0.00 H new ATOM 0 HA ASP A 27 13.484 -2.435 -19.942 1.00 0.00 H new ATOM 0 HB2 ASP A 27 15.475 -1.205 -19.582 1.00 0.00 H new ATOM 0 HB3 ASP A 27 15.067 -0.841 -17.917 1.00 0.00 H new ATOM 443 N CYS A 28 12.643 -2.378 -16.760 1.00 0.00 N ATOM 444 CA CYS A 28 12.121 -3.192 -15.669 1.00 0.00 C ATOM 445 C CYS A 28 10.939 -4.035 -16.136 1.00 0.00 C ATOM 446 O CYS A 28 10.970 -5.264 -16.063 1.00 0.00 O ATOM 447 CB CYS A 28 11.697 -2.301 -14.499 1.00 0.00 C ATOM 448 SG CYS A 28 13.079 -1.727 -13.461 1.00 0.00 S ATOM 0 H CYS A 28 12.684 -1.379 -16.558 1.00 0.00 H new ATOM 0 HA CYS A 28 12.913 -3.863 -15.338 1.00 0.00 H new ATOM 0 HB2 CYS A 28 11.167 -1.433 -14.891 1.00 0.00 H new ATOM 0 HB3 CYS A 28 10.992 -2.850 -13.875 1.00 0.00 H new ATOM 453 N LYS A 29 9.896 -3.367 -16.616 1.00 0.00 N ATOM 454 CA LYS A 29 8.702 -4.053 -17.097 1.00 0.00 C ATOM 455 C LYS A 29 9.030 -4.939 -18.294 1.00 0.00 C ATOM 456 O LYS A 29 8.382 -5.963 -18.517 1.00 0.00 O ATOM 457 CB LYS A 29 7.625 -3.036 -17.481 1.00 0.00 C ATOM 458 CG LYS A 29 7.327 -2.023 -16.389 1.00 0.00 C ATOM 459 CD LYS A 29 6.735 -0.746 -16.960 1.00 0.00 C ATOM 460 CE LYS A 29 5.288 -0.942 -17.383 1.00 0.00 C ATOM 461 NZ LYS A 29 4.496 0.312 -17.251 1.00 0.00 N ATOM 0 H LYS A 29 9.853 -2.350 -16.683 1.00 0.00 H new ATOM 0 HA LYS A 29 8.326 -4.684 -16.292 1.00 0.00 H new ATOM 0 HB2 LYS A 29 7.941 -2.506 -18.380 1.00 0.00 H new ATOM 0 HB3 LYS A 29 6.707 -3.568 -17.731 1.00 0.00 H new ATOM 0 HG2 LYS A 29 6.633 -2.457 -15.669 1.00 0.00 H new ATOM 0 HG3 LYS A 29 8.244 -1.790 -15.848 1.00 0.00 H new ATOM 0 HD2 LYS A 29 6.793 0.048 -16.215 1.00 0.00 H new ATOM 0 HD3 LYS A 29 7.325 -0.422 -17.817 1.00 0.00 H new ATOM 0 HE2 LYS A 29 5.255 -1.285 -18.417 1.00 0.00 H new ATOM 0 HE3 LYS A 29 4.834 -1.724 -16.774 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 3.515 0.136 -17.549 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 4.505 0.626 -16.260 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 4.913 1.051 -17.852 1.00 0.00 H new ATOM 475 N LEU A 30 10.039 -4.541 -19.061 1.00 0.00 N ATOM 476 CA LEU A 30 10.454 -5.300 -20.236 1.00 0.00 C ATOM 477 C LEU A 30 10.778 -6.744 -19.864 1.00 0.00 C ATOM 478 O LEU A 30 10.258 -7.683 -20.467 1.00 0.00 O ATOM 479 CB LEU A 30 11.671 -4.643 -20.888 1.00 0.00 C ATOM 480 CG LEU A 30 11.995 -5.096 -22.313 1.00 0.00 C ATOM 481 CD1 LEU A 30 12.396 -3.907 -23.172 1.00 0.00 C ATOM 482 CD2 LEU A 30 13.097 -6.144 -22.302 1.00 0.00 C ATOM 0 H LEU A 30 10.585 -3.697 -18.890 1.00 0.00 H new ATOM 0 HA LEU A 30 9.628 -5.304 -20.947 1.00 0.00 H new ATOM 0 HB2 LEU A 30 11.515 -3.564 -20.898 1.00 0.00 H new ATOM 0 HB3 LEU A 30 12.542 -4.834 -20.261 1.00 0.00 H new ATOM 0 HG LEU A 30 11.100 -5.544 -22.744 1.00 0.00 H new ATOM 0 HD11 LEU A 30 12.623 -4.248 -24.182 1.00 0.00 H new ATOM 0 HD12 LEU A 30 11.576 -3.190 -23.207 1.00 0.00 H new ATOM 0 HD13 LEU A 30 13.277 -3.429 -22.744 1.00 0.00 H new ATOM 0 HD21 LEU A 30 13.314 -6.454 -23.324 1.00 0.00 H new ATOM 0 HD22 LEU A 30 13.996 -5.722 -21.852 1.00 0.00 H new ATOM 0 HD23 LEU A 30 12.772 -7.008 -21.722 1.00 0.00 H new ATOM 494 N ASP A 31 11.640 -6.913 -18.867 1.00 0.00 N ATOM 495 CA ASP A 31 12.032 -8.242 -18.412 1.00 0.00 C ATOM 496 C ASP A 31 11.421 -8.552 -17.049 1.00 0.00 C ATOM 497 O ASP A 31 10.543 -9.407 -16.930 1.00 0.00 O ATOM 498 CB ASP A 31 13.556 -8.350 -18.338 1.00 0.00 C ATOM 499 CG ASP A 31 14.138 -9.126 -19.503 1.00 0.00 C ATOM 500 OD1 ASP A 31 14.286 -8.538 -20.595 1.00 0.00 O ATOM 501 OD2 ASP A 31 14.447 -10.323 -19.323 1.00 0.00 O ATOM 0 H ASP A 31 12.081 -6.146 -18.359 1.00 0.00 H new ATOM 0 HA ASP A 31 11.658 -8.970 -19.132 1.00 0.00 H new ATOM 0 HB2 ASP A 31 13.988 -7.349 -18.320 1.00 0.00 H new ATOM 0 HB3 ASP A 31 13.838 -8.836 -17.404 1.00 0.00 H new ATOM 506 N LYS A 32 11.892 -7.852 -16.022 1.00 0.00 N ATOM 507 CA LYS A 32 11.393 -8.051 -14.667 1.00 0.00 C ATOM 508 C LYS A 32 9.868 -8.025 -14.639 1.00 0.00 C ATOM 509 O LYS A 32 9.241 -8.683 -13.808 1.00 0.00 O ATOM 510 CB LYS A 32 11.949 -6.973 -13.733 1.00 0.00 C ATOM 511 CG LYS A 32 13.457 -6.813 -13.820 1.00 0.00 C ATOM 512 CD LYS A 32 14.074 -6.595 -12.448 1.00 0.00 C ATOM 513 CE LYS A 32 15.577 -6.383 -12.541 1.00 0.00 C ATOM 514 NZ LYS A 32 16.183 -6.113 -11.207 1.00 0.00 N ATOM 0 H LYS A 32 12.619 -7.141 -16.103 1.00 0.00 H new ATOM 0 HA LYS A 32 11.729 -9.030 -14.323 1.00 0.00 H new ATOM 0 HB2 LYS A 32 11.476 -6.020 -13.970 1.00 0.00 H new ATOM 0 HB3 LYS A 32 11.676 -7.218 -12.706 1.00 0.00 H new ATOM 0 HG2 LYS A 32 13.892 -7.701 -14.279 1.00 0.00 H new ATOM 0 HG3 LYS A 32 13.698 -5.969 -14.467 1.00 0.00 H new ATOM 0 HD2 LYS A 32 13.612 -5.729 -11.973 1.00 0.00 H new ATOM 0 HD3 LYS A 32 13.865 -7.456 -11.813 1.00 0.00 H new ATOM 0 HE2 LYS A 32 16.042 -7.266 -12.979 1.00 0.00 H new ATOM 0 HE3 LYS A 32 15.785 -5.548 -13.210 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 17.153 -5.760 -11.332 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 15.616 -5.399 -10.706 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 16.203 -6.991 -10.651 1.00 0.00 H new ATOM 528 N HIS A 33 9.277 -7.263 -15.553 1.00 0.00 N ATOM 529 CA HIS A 33 7.825 -7.154 -15.634 1.00 0.00 C ATOM 530 C HIS A 33 7.261 -6.475 -14.390 1.00 0.00 C ATOM 531 O HIS A 33 6.140 -6.762 -13.968 1.00 0.00 O ATOM 532 CB HIS A 33 7.197 -8.537 -15.804 1.00 0.00 C ATOM 533 CG HIS A 33 6.155 -8.595 -16.879 1.00 0.00 C ATOM 534 ND1 HIS A 33 5.352 -7.523 -17.207 1.00 0.00 N ATOM 535 CD2 HIS A 33 5.789 -9.604 -17.703 1.00 0.00 C ATOM 536 CE1 HIS A 33 4.536 -7.871 -18.185 1.00 0.00 C ATOM 537 NE2 HIS A 33 4.781 -9.129 -18.505 1.00 0.00 N ATOM 0 H HIS A 33 9.781 -6.712 -16.248 1.00 0.00 H new ATOM 0 HA HIS A 33 7.579 -6.543 -16.503 1.00 0.00 H new ATOM 0 HB2 HIS A 33 7.982 -9.258 -16.032 1.00 0.00 H new ATOM 0 HB3 HIS A 33 6.749 -8.842 -14.858 1.00 0.00 H new ATOM 0 HD2 HIS A 33 6.211 -10.598 -17.726 1.00 0.00 H new ATOM 0 HE1 HIS A 33 3.794 -7.235 -18.645 1.00 0.00 H new ATOM 0 HE2 HIS A 33 4.300 -9.661 -19.230 1.00 0.00 H new ATOM 545 N ALA A 34 8.045 -5.575 -13.806 1.00 0.00 N ATOM 546 CA ALA A 34 7.623 -4.855 -12.610 1.00 0.00 C ATOM 547 C ALA A 34 6.332 -4.083 -12.862 1.00 0.00 C ATOM 548 O ALA A 34 5.722 -4.204 -13.924 1.00 0.00 O ATOM 549 CB ALA A 34 8.723 -3.911 -12.147 1.00 0.00 C ATOM 0 H ALA A 34 8.976 -5.327 -14.141 1.00 0.00 H new ATOM 0 HA ALA A 34 7.432 -5.585 -11.824 1.00 0.00 H new ATOM 0 HB1 ALA A 34 8.395 -3.380 -11.254 1.00 0.00 H new ATOM 0 HB2 ALA A 34 9.622 -4.484 -11.919 1.00 0.00 H new ATOM 0 HB3 ALA A 34 8.942 -3.192 -12.937 1.00 0.00 H new ATOM 555 N ARG A 35 5.921 -3.290 -11.877 1.00 0.00 N ATOM 556 CA ARG A 35 4.701 -2.499 -11.992 1.00 0.00 C ATOM 557 C ARG A 35 4.928 -1.274 -12.873 1.00 0.00 C ATOM 558 O ARG A 35 4.248 -1.089 -13.882 1.00 0.00 O ATOM 559 CB ARG A 35 4.220 -2.063 -10.607 1.00 0.00 C ATOM 560 CG ARG A 35 4.484 -3.090 -9.518 1.00 0.00 C ATOM 561 CD ARG A 35 3.971 -4.465 -9.913 1.00 0.00 C ATOM 562 NE ARG A 35 5.058 -5.419 -10.114 1.00 0.00 N ATOM 563 CZ ARG A 35 4.925 -6.555 -10.789 1.00 0.00 C ATOM 564 NH1 ARG A 35 3.757 -6.877 -11.328 1.00 0.00 N ATOM 565 NH2 ARG A 35 5.962 -7.371 -10.928 1.00 0.00 N ATOM 0 H ARG A 35 6.414 -3.178 -10.991 1.00 0.00 H new ATOM 0 HA ARG A 35 3.936 -3.121 -12.456 1.00 0.00 H new ATOM 0 HB2 ARG A 35 4.711 -1.128 -10.339 1.00 0.00 H new ATOM 0 HB3 ARG A 35 3.150 -1.860 -10.651 1.00 0.00 H new ATOM 0 HG2 ARG A 35 5.554 -3.143 -9.318 1.00 0.00 H new ATOM 0 HG3 ARG A 35 4.003 -2.773 -8.593 1.00 0.00 H new ATOM 0 HD2 ARG A 35 3.301 -4.838 -9.139 1.00 0.00 H new ATOM 0 HD3 ARG A 35 3.386 -4.384 -10.829 1.00 0.00 H new ATOM 0 HE ARG A 35 5.970 -5.201 -9.714 1.00 0.00 H new ATOM 0 HH11 ARG A 35 2.958 -6.252 -11.225 1.00 0.00 H new ATOM 0 HH12 ARG A 35 3.658 -7.750 -11.846 1.00 0.00 H new ATOM 0 HH21 ARG A 35 6.862 -7.126 -10.516 1.00 0.00 H new ATOM 0 HH22 ARG A 35 5.859 -8.243 -11.447 1.00 0.00 H new ATOM 579 N SER A 36 5.887 -0.441 -12.484 1.00 0.00 N ATOM 580 CA SER A 36 6.200 0.769 -13.235 1.00 0.00 C ATOM 581 C SER A 36 7.707 0.920 -13.418 1.00 0.00 C ATOM 582 O SER A 36 8.192 1.122 -14.530 1.00 0.00 O ATOM 583 CB SER A 36 5.635 1.999 -12.522 1.00 0.00 C ATOM 584 OG SER A 36 4.362 2.347 -13.037 1.00 0.00 O ATOM 0 H SER A 36 6.461 -0.582 -11.653 1.00 0.00 H new ATOM 0 HA SER A 36 5.739 0.685 -14.219 1.00 0.00 H new ATOM 0 HB2 SER A 36 5.556 1.799 -11.453 1.00 0.00 H new ATOM 0 HB3 SER A 36 6.320 2.838 -12.640 1.00 0.00 H new ATOM 0 HG SER A 36 4.022 3.135 -12.564 1.00 0.00 H new ATOM 590 N GLY A 37 8.444 0.821 -12.315 1.00 0.00 N ATOM 591 CA GLY A 37 9.888 0.950 -12.374 1.00 0.00 C ATOM 592 C GLY A 37 10.346 2.392 -12.285 1.00 0.00 C ATOM 593 O GLY A 37 9.781 3.270 -12.936 1.00 0.00 O ATOM 0 H GLY A 37 8.066 0.654 -11.382 1.00 0.00 H new ATOM 0 HA2 GLY A 37 10.334 0.380 -11.559 1.00 0.00 H new ATOM 0 HA3 GLY A 37 10.251 0.514 -13.305 1.00 0.00 H new ATOM 597 N GLU A 38 11.371 2.637 -11.474 1.00 0.00 N ATOM 598 CA GLU A 38 11.902 3.984 -11.301 1.00 0.00 C ATOM 599 C GLU A 38 13.348 3.941 -10.817 1.00 0.00 C ATOM 600 O GLU A 38 13.835 2.901 -10.371 1.00 0.00 O ATOM 601 CB GLU A 38 11.043 4.771 -10.309 1.00 0.00 C ATOM 602 CG GLU A 38 9.784 5.356 -10.924 1.00 0.00 C ATOM 603 CD GLU A 38 9.140 6.410 -10.043 1.00 0.00 C ATOM 604 OE1 GLU A 38 9.761 7.473 -9.838 1.00 0.00 O ATOM 605 OE2 GLU A 38 8.014 6.169 -9.559 1.00 0.00 O ATOM 0 H GLU A 38 11.849 1.921 -10.927 1.00 0.00 H new ATOM 0 HA GLU A 38 11.876 4.484 -12.269 1.00 0.00 H new ATOM 0 HB2 GLU A 38 10.763 4.116 -9.484 1.00 0.00 H new ATOM 0 HB3 GLU A 38 11.640 5.579 -9.886 1.00 0.00 H new ATOM 0 HG2 GLU A 38 10.027 5.795 -11.891 1.00 0.00 H new ATOM 0 HG3 GLU A 38 9.068 4.555 -11.108 1.00 0.00 H new ATOM 612 N CYS A 39 14.031 5.077 -10.909 1.00 0.00 N ATOM 613 CA CYS A 39 15.422 5.171 -10.482 1.00 0.00 C ATOM 614 C CYS A 39 15.550 6.038 -9.233 1.00 0.00 C ATOM 615 O CYS A 39 14.903 7.080 -9.118 1.00 0.00 O ATOM 616 CB CYS A 39 16.285 5.746 -11.606 1.00 0.00 C ATOM 617 SG CYS A 39 16.336 4.713 -13.106 1.00 0.00 S ATOM 0 H CYS A 39 13.643 5.946 -11.276 1.00 0.00 H new ATOM 0 HA CYS A 39 15.771 4.166 -10.243 1.00 0.00 H new ATOM 0 HB2 CYS A 39 15.908 6.734 -11.871 1.00 0.00 H new ATOM 0 HB3 CYS A 39 17.301 5.882 -11.236 1.00 0.00 H new ATOM 622 N PHE A 40 16.389 5.602 -8.300 1.00 0.00 N ATOM 623 CA PHE A 40 16.603 6.338 -7.059 1.00 0.00 C ATOM 624 C PHE A 40 18.012 6.103 -6.523 1.00 0.00 C ATOM 625 O PHE A 40 18.669 5.125 -6.881 1.00 0.00 O ATOM 626 CB PHE A 40 15.569 5.921 -6.010 1.00 0.00 C ATOM 627 CG PHE A 40 14.151 6.174 -6.433 1.00 0.00 C ATOM 628 CD1 PHE A 40 13.606 7.445 -6.353 1.00 0.00 C ATOM 629 CD2 PHE A 40 13.361 5.139 -6.909 1.00 0.00 C ATOM 630 CE1 PHE A 40 12.300 7.681 -6.742 1.00 0.00 C ATOM 631 CE2 PHE A 40 12.056 5.369 -7.300 1.00 0.00 C ATOM 632 CZ PHE A 40 11.524 6.641 -7.215 1.00 0.00 C ATOM 0 H PHE A 40 16.932 4.742 -8.379 1.00 0.00 H new ATOM 0 HA PHE A 40 16.487 7.401 -7.271 1.00 0.00 H new ATOM 0 HB2 PHE A 40 15.691 4.860 -5.793 1.00 0.00 H new ATOM 0 HB3 PHE A 40 15.765 6.461 -5.083 1.00 0.00 H new ATOM 0 HD1 PHE A 40 14.208 8.261 -5.982 1.00 0.00 H new ATOM 0 HD2 PHE A 40 13.770 4.142 -6.975 1.00 0.00 H new ATOM 0 HE1 PHE A 40 11.888 8.677 -6.676 1.00 0.00 H new ATOM 0 HE2 PHE A 40 11.452 4.555 -7.672 1.00 0.00 H new ATOM 0 HZ PHE A 40 10.503 6.822 -7.518 1.00 0.00 H new ATOM 642 N TYR A 41 18.469 7.006 -5.663 1.00 0.00 N ATOM 643 CA TYR A 41 19.801 6.900 -5.079 1.00 0.00 C ATOM 644 C TYR A 41 19.826 5.857 -3.966 1.00 0.00 C ATOM 645 O TYR A 41 18.806 5.580 -3.336 1.00 0.00 O ATOM 646 CB TYR A 41 20.250 8.256 -4.532 1.00 0.00 C ATOM 647 CG TYR A 41 20.649 9.241 -5.608 1.00 0.00 C ATOM 648 CD1 TYR A 41 19.710 10.085 -6.187 1.00 0.00 C ATOM 649 CD2 TYR A 41 21.965 9.328 -6.044 1.00 0.00 C ATOM 650 CE1 TYR A 41 20.069 10.986 -7.171 1.00 0.00 C ATOM 651 CE2 TYR A 41 22.334 10.227 -7.027 1.00 0.00 C ATOM 652 CZ TYR A 41 21.383 11.053 -7.587 1.00 0.00 C ATOM 653 OH TYR A 41 21.745 11.950 -8.566 1.00 0.00 O ATOM 0 H TYR A 41 17.937 7.820 -5.355 1.00 0.00 H new ATOM 0 HA TYR A 41 20.490 6.585 -5.863 1.00 0.00 H new ATOM 0 HB2 TYR A 41 19.442 8.685 -3.940 1.00 0.00 H new ATOM 0 HB3 TYR A 41 21.093 8.105 -3.858 1.00 0.00 H new ATOM 0 HD1 TYR A 41 18.681 10.036 -5.862 1.00 0.00 H new ATOM 0 HD2 TYR A 41 22.713 8.682 -5.608 1.00 0.00 H new ATOM 0 HE1 TYR A 41 19.326 11.634 -7.612 1.00 0.00 H new ATOM 0 HE2 TYR A 41 23.362 10.282 -7.354 1.00 0.00 H new ATOM 0 HH TYR A 41 22.706 11.871 -8.743 1.00 0.00 H new ATOM 663 N ASP A 42 21.000 5.282 -3.731 1.00 0.00 N ATOM 664 CA ASP A 42 21.161 4.270 -2.693 1.00 0.00 C ATOM 665 C ASP A 42 21.717 4.887 -1.414 1.00 0.00 C ATOM 666 O ASP A 42 21.760 6.108 -1.271 1.00 0.00 O ATOM 667 CB ASP A 42 22.087 3.153 -3.180 1.00 0.00 C ATOM 668 CG ASP A 42 21.609 1.779 -2.753 1.00 0.00 C ATOM 669 OD1 ASP A 42 20.422 1.465 -2.983 1.00 0.00 O ATOM 670 OD2 ASP A 42 22.423 1.017 -2.190 1.00 0.00 O ATOM 0 H ASP A 42 21.854 5.499 -4.245 1.00 0.00 H new ATOM 0 HA ASP A 42 20.180 3.849 -2.475 1.00 0.00 H new ATOM 0 HB2 ASP A 42 22.155 3.189 -4.267 1.00 0.00 H new ATOM 0 HB3 ASP A 42 23.091 3.322 -2.792 1.00 0.00 H new ATOM 675 N GLU A 43 22.142 4.033 -0.487 1.00 0.00 N ATOM 676 CA GLU A 43 22.693 4.496 0.781 1.00 0.00 C ATOM 677 C GLU A 43 24.004 5.245 0.563 1.00 0.00 C ATOM 678 O GLU A 43 24.351 6.148 1.326 1.00 0.00 O ATOM 679 CB GLU A 43 22.919 3.314 1.726 1.00 0.00 C ATOM 680 CG GLU A 43 21.734 2.366 1.810 1.00 0.00 C ATOM 681 CD GLU A 43 21.914 1.300 2.873 1.00 0.00 C ATOM 682 OE1 GLU A 43 23.065 1.079 3.304 1.00 0.00 O ATOM 683 OE2 GLU A 43 20.903 0.687 3.275 1.00 0.00 O ATOM 0 H GLU A 43 22.115 3.019 -0.591 1.00 0.00 H new ATOM 0 HA GLU A 43 21.974 5.180 1.232 1.00 0.00 H new ATOM 0 HB2 GLU A 43 23.796 2.758 1.395 1.00 0.00 H new ATOM 0 HB3 GLU A 43 23.141 3.694 2.723 1.00 0.00 H new ATOM 0 HG2 GLU A 43 20.831 2.938 2.023 1.00 0.00 H new ATOM 0 HG3 GLU A 43 21.587 1.887 0.842 1.00 0.00 H new ATOM 690 N LYS A 44 24.730 4.864 -0.482 1.00 0.00 N ATOM 691 CA LYS A 44 26.003 5.498 -0.803 1.00 0.00 C ATOM 692 C LYS A 44 25.832 6.531 -1.913 1.00 0.00 C ATOM 693 O LYS A 44 26.781 6.848 -2.630 1.00 0.00 O ATOM 694 CB LYS A 44 27.029 4.445 -1.226 1.00 0.00 C ATOM 695 CG LYS A 44 27.907 3.959 -0.086 1.00 0.00 C ATOM 696 CD LYS A 44 29.378 4.216 -0.367 1.00 0.00 C ATOM 697 CE LYS A 44 30.184 4.301 0.920 1.00 0.00 C ATOM 698 NZ LYS A 44 30.467 2.954 1.488 1.00 0.00 N ATOM 0 H LYS A 44 24.458 4.118 -1.122 1.00 0.00 H new ATOM 0 HA LYS A 44 26.362 6.007 0.091 1.00 0.00 H new ATOM 0 HB2 LYS A 44 26.505 3.593 -1.659 1.00 0.00 H new ATOM 0 HB3 LYS A 44 27.662 4.861 -2.009 1.00 0.00 H new ATOM 0 HG2 LYS A 44 27.619 4.462 0.837 1.00 0.00 H new ATOM 0 HG3 LYS A 44 27.746 2.892 0.069 1.00 0.00 H new ATOM 0 HD2 LYS A 44 29.775 3.418 -0.994 1.00 0.00 H new ATOM 0 HD3 LYS A 44 29.486 5.145 -0.927 1.00 0.00 H new ATOM 0 HE2 LYS A 44 31.124 4.818 0.726 1.00 0.00 H new ATOM 0 HE3 LYS A 44 29.638 4.896 1.652 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 31.018 3.055 2.364 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 29.571 2.470 1.697 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 31.010 2.394 0.800 1.00 0.00 H new ATOM 712 N ARG A 45 24.617 7.053 -2.047 1.00 0.00 N ATOM 713 CA ARG A 45 24.322 8.050 -3.069 1.00 0.00 C ATOM 714 C ARG A 45 24.529 7.474 -4.467 1.00 0.00 C ATOM 715 O ARG A 45 25.058 8.144 -5.353 1.00 0.00 O ATOM 716 CB ARG A 45 25.207 9.284 -2.878 1.00 0.00 C ATOM 717 CG ARG A 45 25.173 9.845 -1.466 1.00 0.00 C ATOM 718 CD ARG A 45 24.452 11.183 -1.416 1.00 0.00 C ATOM 719 NE ARG A 45 25.055 12.093 -0.446 1.00 0.00 N ATOM 720 CZ ARG A 45 24.926 11.957 0.869 1.00 0.00 C ATOM 721 NH1 ARG A 45 24.219 10.952 1.369 1.00 0.00 N ATOM 722 NH2 ARG A 45 25.505 12.826 1.688 1.00 0.00 N ATOM 0 H ARG A 45 23.821 6.802 -1.461 1.00 0.00 H new ATOM 0 HA ARG A 45 23.277 8.341 -2.966 1.00 0.00 H new ATOM 0 HB2 ARG A 45 26.235 9.026 -3.133 1.00 0.00 H new ATOM 0 HB3 ARG A 45 24.890 10.059 -3.576 1.00 0.00 H new ATOM 0 HG2 ARG A 45 24.675 9.137 -0.804 1.00 0.00 H new ATOM 0 HG3 ARG A 45 26.191 9.965 -1.096 1.00 0.00 H new ATOM 0 HD2 ARG A 45 24.471 11.642 -2.404 1.00 0.00 H new ATOM 0 HD3 ARG A 45 23.405 11.021 -1.159 1.00 0.00 H new ATOM 0 HE ARG A 45 25.606 12.876 -0.798 1.00 0.00 H new ATOM 0 HH11 ARG A 45 23.773 10.281 0.743 1.00 0.00 H new ATOM 0 HH12 ARG A 45 24.122 10.850 2.379 1.00 0.00 H new ATOM 0 HH21 ARG A 45 26.050 13.600 1.308 1.00 0.00 H new ATOM 0 HH22 ARG A 45 25.405 12.720 2.698 1.00 0.00 H new ATOM 736 N ASN A 46 24.109 6.227 -4.655 1.00 0.00 N ATOM 737 CA ASN A 46 24.250 5.560 -5.944 1.00 0.00 C ATOM 738 C ASN A 46 22.889 5.366 -6.607 1.00 0.00 C ATOM 739 O ASN A 46 22.069 4.571 -6.145 1.00 0.00 O ATOM 740 CB ASN A 46 24.942 4.207 -5.769 1.00 0.00 C ATOM 741 CG ASN A 46 25.726 4.122 -4.474 1.00 0.00 C ATOM 742 OD1 ASN A 46 25.147 4.048 -3.389 1.00 0.00 O ATOM 743 ND2 ASN A 46 27.049 4.133 -4.581 1.00 0.00 N ATOM 0 H ASN A 46 23.669 5.659 -3.932 1.00 0.00 H new ATOM 0 HA ASN A 46 24.862 6.192 -6.588 1.00 0.00 H new ATOM 0 HB2 ASN A 46 24.194 3.414 -5.791 1.00 0.00 H new ATOM 0 HB3 ASN A 46 25.614 4.034 -6.610 1.00 0.00 H new ATOM 0 HD21 ASN A 46 27.629 4.079 -3.744 1.00 0.00 H new ATOM 0 HD22 ASN A 46 27.486 4.196 -5.501 1.00 0.00 H new ATOM 750 N LEU A 47 22.656 6.096 -7.692 1.00 0.00 N ATOM 751 CA LEU A 47 21.396 6.004 -8.420 1.00 0.00 C ATOM 752 C LEU A 47 21.293 4.677 -9.165 1.00 0.00 C ATOM 753 O LEU A 47 22.078 4.401 -10.072 1.00 0.00 O ATOM 754 CB LEU A 47 21.267 7.166 -9.406 1.00 0.00 C ATOM 755 CG LEU A 47 20.005 8.019 -9.277 1.00 0.00 C ATOM 756 CD1 LEU A 47 20.075 9.220 -10.207 1.00 0.00 C ATOM 757 CD2 LEU A 47 18.766 7.186 -9.571 1.00 0.00 C ATOM 0 H LEU A 47 23.324 6.758 -8.087 1.00 0.00 H new ATOM 0 HA LEU A 47 20.583 6.058 -7.696 1.00 0.00 H new ATOM 0 HB2 LEU A 47 22.134 7.816 -9.286 1.00 0.00 H new ATOM 0 HB3 LEU A 47 21.307 6.764 -10.418 1.00 0.00 H new ATOM 0 HG LEU A 47 19.939 8.383 -8.252 1.00 0.00 H new ATOM 0 HD11 LEU A 47 19.168 9.815 -10.101 1.00 0.00 H new ATOM 0 HD12 LEU A 47 20.941 9.829 -9.950 1.00 0.00 H new ATOM 0 HD13 LEU A 47 20.166 8.877 -11.238 1.00 0.00 H new ATOM 0 HD21 LEU A 47 17.877 7.809 -9.474 1.00 0.00 H new ATOM 0 HD22 LEU A 47 18.825 6.792 -10.586 1.00 0.00 H new ATOM 0 HD23 LEU A 47 18.708 6.359 -8.864 1.00 0.00 H new ATOM 769 N GLN A 48 20.318 3.861 -8.778 1.00 0.00 N ATOM 770 CA GLN A 48 20.111 2.563 -9.411 1.00 0.00 C ATOM 771 C GLN A 48 18.681 2.429 -9.924 1.00 0.00 C ATOM 772 O GLN A 48 17.795 3.187 -9.529 1.00 0.00 O ATOM 773 CB GLN A 48 20.420 1.436 -8.424 1.00 0.00 C ATOM 774 CG GLN A 48 21.907 1.184 -8.233 1.00 0.00 C ATOM 775 CD GLN A 48 22.224 0.543 -6.897 1.00 0.00 C ATOM 776 OE1 GLN A 48 22.908 -0.479 -6.832 1.00 0.00 O ATOM 777 NE2 GLN A 48 21.726 1.140 -5.820 1.00 0.00 N ATOM 0 H GLN A 48 19.659 4.075 -8.030 1.00 0.00 H new ATOM 0 HA GLN A 48 20.790 2.489 -10.260 1.00 0.00 H new ATOM 0 HB2 GLN A 48 19.974 1.677 -7.459 1.00 0.00 H new ATOM 0 HB3 GLN A 48 19.947 0.518 -8.773 1.00 0.00 H new ATOM 0 HG2 GLN A 48 22.268 0.540 -9.035 1.00 0.00 H new ATOM 0 HG3 GLN A 48 22.445 2.128 -8.315 1.00 0.00 H new ATOM 0 HE21 GLN A 48 21.164 1.986 -5.919 1.00 0.00 H new ATOM 0 HE22 GLN A 48 21.905 0.753 -4.894 1.00 0.00 H new ATOM 786 N CYS A 49 18.463 1.459 -10.806 1.00 0.00 N ATOM 787 CA CYS A 49 17.141 1.225 -11.374 1.00 0.00 C ATOM 788 C CYS A 49 16.309 0.327 -10.463 1.00 0.00 C ATOM 789 O CYS A 49 16.334 -0.897 -10.591 1.00 0.00 O ATOM 790 CB CYS A 49 17.264 0.590 -12.761 1.00 0.00 C ATOM 791 SG CYS A 49 15.677 0.391 -13.631 1.00 0.00 S ATOM 0 H CYS A 49 19.185 0.822 -11.143 1.00 0.00 H new ATOM 0 HA CYS A 49 16.637 2.187 -11.466 1.00 0.00 H new ATOM 0 HB2 CYS A 49 17.927 1.203 -13.372 1.00 0.00 H new ATOM 0 HB3 CYS A 49 17.736 -0.387 -12.661 1.00 0.00 H new ATOM 796 N ILE A 50 15.573 0.945 -9.545 1.00 0.00 N ATOM 797 CA ILE A 50 14.732 0.202 -8.615 1.00 0.00 C ATOM 798 C ILE A 50 13.363 -0.087 -9.221 1.00 0.00 C ATOM 799 O ILE A 50 12.603 0.831 -9.531 1.00 0.00 O ATOM 800 CB ILE A 50 14.544 0.968 -7.292 1.00 0.00 C ATOM 801 CG1 ILE A 50 15.852 0.988 -6.498 1.00 0.00 C ATOM 802 CG2 ILE A 50 13.429 0.339 -6.470 1.00 0.00 C ATOM 803 CD1 ILE A 50 16.314 2.380 -6.130 1.00 0.00 C ATOM 0 H ILE A 50 15.542 1.958 -9.426 1.00 0.00 H new ATOM 0 HA ILE A 50 15.242 -0.740 -8.412 1.00 0.00 H new ATOM 0 HB ILE A 50 14.265 1.996 -7.521 1.00 0.00 H new ATOM 0 HG12 ILE A 50 15.723 0.404 -5.587 1.00 0.00 H new ATOM 0 HG13 ILE A 50 16.630 0.498 -7.083 1.00 0.00 H new ATOM 0 HG21 ILE A 50 13.308 0.891 -5.538 1.00 0.00 H new ATOM 0 HG22 ILE A 50 12.497 0.372 -7.035 1.00 0.00 H new ATOM 0 HG23 ILE A 50 13.682 -0.698 -6.247 1.00 0.00 H new ATOM 0 HD11 ILE A 50 17.246 2.317 -5.569 1.00 0.00 H new ATOM 0 HD12 ILE A 50 16.475 2.962 -7.038 1.00 0.00 H new ATOM 0 HD13 ILE A 50 15.554 2.866 -5.518 1.00 0.00 H new ATOM 815 N CYS A 51 13.055 -1.369 -9.387 1.00 0.00 N ATOM 816 CA CYS A 51 11.777 -1.781 -9.955 1.00 0.00 C ATOM 817 C CYS A 51 10.758 -2.064 -8.854 1.00 0.00 C ATOM 818 O CYS A 51 11.103 -2.116 -7.674 1.00 0.00 O ATOM 819 CB CYS A 51 11.960 -3.024 -10.828 1.00 0.00 C ATOM 820 SG CYS A 51 13.389 -2.938 -11.954 1.00 0.00 S ATOM 0 H CYS A 51 13.673 -2.141 -9.136 1.00 0.00 H new ATOM 0 HA CYS A 51 11.402 -0.964 -10.572 1.00 0.00 H new ATOM 0 HB2 CYS A 51 12.072 -3.895 -10.182 1.00 0.00 H new ATOM 0 HB3 CYS A 51 11.056 -3.178 -11.417 1.00 0.00 H new ATOM 825 N ASP A 52 9.503 -2.247 -9.250 1.00 0.00 N ATOM 826 CA ASP A 52 8.434 -2.526 -8.299 1.00 0.00 C ATOM 827 C ASP A 52 7.886 -3.936 -8.496 1.00 0.00 C ATOM 828 O ASP A 52 7.494 -4.312 -9.601 1.00 0.00 O ATOM 829 CB ASP A 52 7.308 -1.502 -8.449 1.00 0.00 C ATOM 830 CG ASP A 52 6.234 -1.663 -7.391 1.00 0.00 C ATOM 831 OD1 ASP A 52 6.460 -2.426 -6.427 1.00 0.00 O ATOM 832 OD2 ASP A 52 5.169 -1.026 -7.526 1.00 0.00 O ATOM 0 H ASP A 52 9.201 -2.207 -10.224 1.00 0.00 H new ATOM 0 HA ASP A 52 8.848 -2.454 -7.293 1.00 0.00 H new ATOM 0 HB2 ASP A 52 7.725 -0.497 -8.389 1.00 0.00 H new ATOM 0 HB3 ASP A 52 6.859 -1.603 -9.437 1.00 0.00 H new ATOM 837 N TYR A 53 7.863 -4.712 -7.418 1.00 0.00 N ATOM 838 CA TYR A 53 7.366 -6.082 -7.473 1.00 0.00 C ATOM 839 C TYR A 53 6.233 -6.291 -6.473 1.00 0.00 C ATOM 840 O TYR A 53 6.455 -6.323 -5.262 1.00 0.00 O ATOM 841 CB TYR A 53 8.499 -7.069 -7.190 1.00 0.00 C ATOM 842 CG TYR A 53 9.133 -7.637 -8.440 1.00 0.00 C ATOM 843 CD1 TYR A 53 10.135 -6.947 -9.110 1.00 0.00 C ATOM 844 CD2 TYR A 53 8.730 -8.865 -8.951 1.00 0.00 C ATOM 845 CE1 TYR A 53 10.717 -7.461 -10.253 1.00 0.00 C ATOM 846 CE2 TYR A 53 9.307 -9.388 -10.092 1.00 0.00 C ATOM 847 CZ TYR A 53 10.299 -8.682 -10.740 1.00 0.00 C ATOM 848 OH TYR A 53 10.877 -9.199 -11.877 1.00 0.00 O ATOM 0 H TYR A 53 8.183 -4.416 -6.496 1.00 0.00 H new ATOM 0 HA TYR A 53 6.979 -6.261 -8.476 1.00 0.00 H new ATOM 0 HB2 TYR A 53 9.266 -6.569 -6.599 1.00 0.00 H new ATOM 0 HB3 TYR A 53 8.113 -7.889 -6.584 1.00 0.00 H new ATOM 0 HD1 TYR A 53 10.465 -5.991 -8.731 1.00 0.00 H new ATOM 0 HD2 TYR A 53 7.952 -9.420 -8.447 1.00 0.00 H new ATOM 0 HE1 TYR A 53 11.494 -6.910 -10.762 1.00 0.00 H new ATOM 0 HE2 TYR A 53 8.983 -10.345 -10.475 1.00 0.00 H new ATOM 0 HH TYR A 53 10.193 -9.308 -12.571 1.00 0.00 H new ATOM 858 N CYS A 54 5.016 -6.434 -6.988 1.00 0.00 N ATOM 859 CA CYS A 54 3.847 -6.641 -6.143 1.00 0.00 C ATOM 860 C CYS A 54 2.654 -7.110 -6.970 1.00 0.00 C ATOM 861 O CYS A 54 2.349 -8.302 -7.017 1.00 0.00 O ATOM 862 CB CYS A 54 3.492 -5.349 -5.403 1.00 0.00 C ATOM 863 SG CYS A 54 4.050 -5.308 -3.669 1.00 0.00 S ATOM 0 H CYS A 54 4.814 -6.410 -7.988 1.00 0.00 H new ATOM 0 HA CYS A 54 4.089 -7.415 -5.415 1.00 0.00 H new ATOM 0 HB2 CYS A 54 3.932 -4.506 -5.935 1.00 0.00 H new ATOM 0 HB3 CYS A 54 2.411 -5.213 -5.429 1.00 0.00 H new