USER MOD reduce.3.24.130724 H: found=0, std=0, add=395, rem=0, adj=10 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= -0.12 K(o=-2,f=-2.8) USER MOD Set 1.2: A 25 ASN : amide:sc= -1.85 K(o=-2,f=-3.3) USER MOD Set 2.1: A 17 GLN : amide:sc= -2.22! X(o=-1.8!,f=-1.4) USER MOD Set 2.2: A 41 TYR OH : rot 165:sc= 0.388 USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 LYS NZ :NH3+ 154:sc= -0.117 (180deg=-0.723) USER MOD Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 10 ASN : amide:sc= -0.111 X(o=-0.11,f=0) USER MOD Single : A 11 TYR OH : rot 180:sc= -0.693 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 GLN : amide:sc= 0 X(o=0,f=-0.15) USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 LYS NZ :NH3+ 158:sc= 0.856 (180deg=0.104) USER MOD Single : A 32 LYS NZ :NH3+ -160:sc= 0.69 (180deg=0.486) USER MOD Single : A 33 HIS : no HD1:sc= -0.0535 X(o=-0.054,f=0) 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= -1.63 X(o=-1.6,f=-1.8) USER MOD Single : A 48 GLN : amide:sc= -3.12 X(o=-3.1,f=-3.4!) USER MOD Single : A 53 TYR OH : rot 52:sc= 0.459 USER MOD ----------------------------------------------------------------- ATOM 52 N CYS A 4 7.366 -2.946 -1.873 1.00 0.00 N ATOM 53 CA CYS A 4 8.086 -4.000 -2.576 1.00 0.00 C ATOM 54 C CYS A 4 8.753 -3.457 -3.837 1.00 0.00 C ATOM 55 O CYS A 4 8.157 -2.679 -4.582 1.00 0.00 O ATOM 56 CB CYS A 4 7.134 -5.141 -2.941 1.00 0.00 C ATOM 57 SG CYS A 4 5.448 -4.595 -3.363 1.00 0.00 S ATOM 0 HA CYS A 4 8.861 -4.381 -1.911 1.00 0.00 H new ATOM 0 HB2 CYS A 4 7.549 -5.690 -3.786 1.00 0.00 H new ATOM 0 HB3 CYS A 4 7.080 -5.837 -2.104 1.00 0.00 H new ATOM 62 N LYS A 5 9.993 -3.872 -4.069 1.00 0.00 N ATOM 63 CA LYS A 5 10.742 -3.429 -5.239 1.00 0.00 C ATOM 64 C LYS A 5 11.997 -4.274 -5.433 1.00 0.00 C ATOM 65 O LYS A 5 12.350 -5.087 -4.578 1.00 0.00 O ATOM 66 CB LYS A 5 11.124 -1.954 -5.097 1.00 0.00 C ATOM 67 CG LYS A 5 12.188 -1.700 -4.043 1.00 0.00 C ATOM 68 CD LYS A 5 11.657 -0.835 -2.913 1.00 0.00 C ATOM 69 CE LYS A 5 12.669 0.223 -2.498 1.00 0.00 C ATOM 70 NZ LYS A 5 12.011 1.408 -1.882 1.00 0.00 N ATOM 0 H LYS A 5 10.501 -4.515 -3.462 1.00 0.00 H new ATOM 0 HA LYS A 5 10.105 -3.550 -6.115 1.00 0.00 H new ATOM 0 HB2 LYS A 5 11.482 -1.586 -6.059 1.00 0.00 H new ATOM 0 HB3 LYS A 5 10.232 -1.379 -4.847 1.00 0.00 H new ATOM 0 HG2 LYS A 5 12.538 -2.651 -3.641 1.00 0.00 H new ATOM 0 HG3 LYS A 5 13.048 -1.213 -4.503 1.00 0.00 H new ATOM 0 HD2 LYS A 5 10.732 -0.352 -3.227 1.00 0.00 H new ATOM 0 HD3 LYS A 5 11.413 -1.463 -2.056 1.00 0.00 H new ATOM 0 HE2 LYS A 5 13.376 -0.209 -1.790 1.00 0.00 H new ATOM 0 HE3 LYS A 5 13.243 0.538 -3.369 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 12.734 2.106 -1.613 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 11.355 1.836 -2.566 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 11.484 1.112 -1.036 1.00 0.00 H new ATOM 84 N LYS A 6 12.669 -4.076 -6.563 1.00 0.00 N ATOM 85 CA LYS A 6 13.887 -4.817 -6.869 1.00 0.00 C ATOM 86 C LYS A 6 14.921 -3.914 -7.534 1.00 0.00 C ATOM 87 O LYS A 6 14.730 -3.461 -8.662 1.00 0.00 O ATOM 88 CB LYS A 6 13.570 -6.005 -7.780 1.00 0.00 C ATOM 89 CG LYS A 6 12.820 -7.125 -7.081 1.00 0.00 C ATOM 90 CD LYS A 6 12.839 -8.405 -7.900 1.00 0.00 C ATOM 91 CE LYS A 6 13.644 -9.496 -7.210 1.00 0.00 C ATOM 92 NZ LYS A 6 13.104 -9.814 -5.860 1.00 0.00 N ATOM 0 H LYS A 6 12.390 -3.408 -7.282 1.00 0.00 H new ATOM 0 HA LYS A 6 14.303 -5.187 -5.932 1.00 0.00 H new ATOM 0 HB2 LYS A 6 12.978 -5.655 -8.626 1.00 0.00 H new ATOM 0 HB3 LYS A 6 14.502 -6.400 -8.185 1.00 0.00 H new ATOM 0 HG2 LYS A 6 13.268 -7.310 -6.105 1.00 0.00 H new ATOM 0 HG3 LYS A 6 11.789 -6.819 -6.906 1.00 0.00 H new ATOM 0 HD2 LYS A 6 11.818 -8.751 -8.060 1.00 0.00 H new ATOM 0 HD3 LYS A 6 13.265 -8.203 -8.883 1.00 0.00 H new ATOM 0 HE2 LYS A 6 13.638 -10.396 -7.825 1.00 0.00 H new ATOM 0 HE3 LYS A 6 14.683 -9.179 -7.120 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 13.352 -10.792 -5.608 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 13.512 -9.162 -5.160 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 12.069 -9.711 -5.867 1.00 0.00 H new ATOM 106 N VAL A 7 16.017 -3.658 -6.827 1.00 0.00 N ATOM 107 CA VAL A 7 17.083 -2.811 -7.350 1.00 0.00 C ATOM 108 C VAL A 7 17.904 -3.548 -8.402 1.00 0.00 C ATOM 109 O VAL A 7 18.093 -4.762 -8.319 1.00 0.00 O ATOM 110 CB VAL A 7 18.021 -2.331 -6.227 1.00 0.00 C ATOM 111 CG1 VAL A 7 18.804 -3.499 -5.649 1.00 0.00 C ATOM 112 CG2 VAL A 7 18.960 -1.251 -6.742 1.00 0.00 C ATOM 0 H VAL A 7 16.190 -4.025 -5.891 1.00 0.00 H new ATOM 0 HA VAL A 7 16.604 -1.946 -7.807 1.00 0.00 H new ATOM 0 HB VAL A 7 17.414 -1.902 -5.430 1.00 0.00 H new ATOM 0 HG11 VAL A 7 19.461 -3.140 -4.857 1.00 0.00 H new ATOM 0 HG12 VAL A 7 18.111 -4.235 -5.240 1.00 0.00 H new ATOM 0 HG13 VAL A 7 19.402 -3.961 -6.435 1.00 0.00 H new ATOM 0 HG21 VAL A 7 19.615 -0.924 -5.935 1.00 0.00 H new ATOM 0 HG22 VAL A 7 19.561 -1.651 -7.558 1.00 0.00 H new ATOM 0 HG23 VAL A 7 18.377 -0.403 -7.102 1.00 0.00 H new ATOM 122 N TYR A 8 18.390 -2.806 -9.391 1.00 0.00 N ATOM 123 CA TYR A 8 19.190 -3.389 -10.462 1.00 0.00 C ATOM 124 C TYR A 8 20.659 -3.004 -10.316 1.00 0.00 C ATOM 125 O TYR A 8 21.101 -1.989 -10.853 1.00 0.00 O ATOM 126 CB TYR A 8 18.665 -2.935 -11.825 1.00 0.00 C ATOM 127 CG TYR A 8 18.682 -4.023 -12.874 1.00 0.00 C ATOM 128 CD1 TYR A 8 19.588 -5.074 -12.798 1.00 0.00 C ATOM 129 CD2 TYR A 8 17.794 -4.001 -13.942 1.00 0.00 C ATOM 130 CE1 TYR A 8 19.608 -6.071 -13.755 1.00 0.00 C ATOM 131 CE2 TYR A 8 17.806 -4.993 -14.903 1.00 0.00 C ATOM 132 CZ TYR A 8 18.715 -6.026 -14.805 1.00 0.00 C ATOM 133 OH TYR A 8 18.731 -7.016 -15.760 1.00 0.00 O ATOM 0 H TYR A 8 18.244 -1.800 -9.473 1.00 0.00 H new ATOM 0 HA TYR A 8 19.109 -4.474 -10.392 1.00 0.00 H new ATOM 0 HB2 TYR A 8 17.644 -2.570 -11.709 1.00 0.00 H new ATOM 0 HB3 TYR A 8 19.266 -2.095 -12.175 1.00 0.00 H new ATOM 0 HD1 TYR A 8 20.289 -5.112 -11.977 1.00 0.00 H new ATOM 0 HD2 TYR A 8 17.081 -3.194 -14.022 1.00 0.00 H new ATOM 0 HE1 TYR A 8 20.319 -6.881 -13.681 1.00 0.00 H new ATOM 0 HE2 TYR A 8 17.108 -4.960 -15.726 1.00 0.00 H new ATOM 0 HH TYR A 8 18.038 -6.836 -16.429 1.00 0.00 H new ATOM 143 N GLU A 9 21.409 -3.824 -9.586 1.00 0.00 N ATOM 144 CA GLU A 9 22.828 -3.570 -9.370 1.00 0.00 C ATOM 145 C GLU A 9 23.598 -3.625 -10.686 1.00 0.00 C ATOM 146 O GLU A 9 24.741 -3.176 -10.768 1.00 0.00 O ATOM 147 CB GLU A 9 23.407 -4.588 -8.385 1.00 0.00 C ATOM 148 CG GLU A 9 22.595 -4.729 -7.108 1.00 0.00 C ATOM 149 CD GLU A 9 23.214 -5.706 -6.128 1.00 0.00 C ATOM 150 OE1 GLU A 9 24.159 -6.422 -6.522 1.00 0.00 O ATOM 151 OE2 GLU A 9 22.755 -5.756 -4.968 1.00 0.00 O ATOM 0 H GLU A 9 21.058 -4.669 -9.135 1.00 0.00 H new ATOM 0 HA GLU A 9 22.931 -2.569 -8.950 1.00 0.00 H new ATOM 0 HB2 GLU A 9 23.470 -5.560 -8.875 1.00 0.00 H new ATOM 0 HB3 GLU A 9 24.425 -4.294 -8.128 1.00 0.00 H new ATOM 0 HG2 GLU A 9 22.501 -3.753 -6.632 1.00 0.00 H new ATOM 0 HG3 GLU A 9 21.587 -5.060 -7.358 1.00 0.00 H new ATOM 158 N ASN A 10 22.963 -4.179 -11.713 1.00 0.00 N ATOM 159 CA ASN A 10 23.588 -4.295 -13.026 1.00 0.00 C ATOM 160 C ASN A 10 22.923 -3.357 -14.029 1.00 0.00 C ATOM 161 O ASN A 10 22.418 -3.795 -15.063 1.00 0.00 O ATOM 162 CB ASN A 10 23.506 -5.738 -13.528 1.00 0.00 C ATOM 163 CG ASN A 10 24.086 -6.728 -12.536 1.00 0.00 C ATOM 164 OD1 ASN A 10 25.245 -7.129 -12.648 1.00 0.00 O ATOM 165 ND2 ASN A 10 23.281 -7.128 -11.559 1.00 0.00 N ATOM 0 H ASN A 10 22.016 -4.555 -11.662 1.00 0.00 H new ATOM 0 HA ASN A 10 24.636 -4.011 -12.929 1.00 0.00 H new ATOM 0 HB2 ASN A 10 22.465 -5.993 -13.725 1.00 0.00 H new ATOM 0 HB3 ASN A 10 24.039 -5.821 -14.475 1.00 0.00 H new ATOM 0 HD21 ASN A 10 23.616 -7.794 -10.863 1.00 0.00 H new ATOM 0 HD22 ASN A 10 22.328 -6.770 -11.505 1.00 0.00 H new ATOM 172 N TYR A 11 22.928 -2.066 -13.717 1.00 0.00 N ATOM 173 CA TYR A 11 22.324 -1.067 -14.590 1.00 0.00 C ATOM 174 C TYR A 11 23.040 0.274 -14.460 1.00 0.00 C ATOM 175 O TYR A 11 23.424 0.699 -13.370 1.00 0.00 O ATOM 176 CB TYR A 11 20.840 -0.899 -14.258 1.00 0.00 C ATOM 177 CG TYR A 11 19.959 -0.762 -15.479 1.00 0.00 C ATOM 178 CD1 TYR A 11 19.672 -1.861 -16.280 1.00 0.00 C ATOM 179 CD2 TYR A 11 19.413 0.466 -15.832 1.00 0.00 C ATOM 180 CE1 TYR A 11 18.868 -1.740 -17.397 1.00 0.00 C ATOM 181 CE2 TYR A 11 18.607 0.595 -16.946 1.00 0.00 C ATOM 182 CZ TYR A 11 18.337 -0.511 -17.726 1.00 0.00 C ATOM 183 OH TYR A 11 17.536 -0.385 -18.837 1.00 0.00 O ATOM 0 H TYR A 11 23.344 -1.687 -12.866 1.00 0.00 H new ATOM 0 HA TYR A 11 22.423 -1.413 -15.619 1.00 0.00 H new ATOM 0 HB2 TYR A 11 20.507 -1.757 -13.675 1.00 0.00 H new ATOM 0 HB3 TYR A 11 20.714 -0.018 -13.629 1.00 0.00 H new ATOM 0 HD1 TYR A 11 20.085 -2.826 -16.025 1.00 0.00 H new ATOM 0 HD2 TYR A 11 19.622 1.334 -15.225 1.00 0.00 H new ATOM 0 HE1 TYR A 11 18.656 -2.604 -18.009 1.00 0.00 H new ATOM 0 HE2 TYR A 11 18.190 1.557 -17.206 1.00 0.00 H new ATOM 0 HH TYR A 11 17.244 0.546 -18.926 1.00 0.00 H new ATOM 193 N PRO A 12 23.225 0.958 -15.599 1.00 0.00 N ATOM 194 CA PRO A 12 23.894 2.261 -15.640 1.00 0.00 C ATOM 195 C PRO A 12 23.058 3.363 -14.999 1.00 0.00 C ATOM 196 O PRO A 12 21.904 3.577 -15.372 1.00 0.00 O ATOM 197 CB PRO A 12 24.067 2.524 -17.138 1.00 0.00 C ATOM 198 CG PRO A 12 22.985 1.734 -17.789 1.00 0.00 C ATOM 199 CD PRO A 12 22.794 0.512 -16.934 1.00 0.00 C ATOM 0 HA PRO A 12 24.831 2.255 -15.083 1.00 0.00 H new ATOM 0 HB2 PRO A 12 23.974 3.586 -17.367 1.00 0.00 H new ATOM 0 HB3 PRO A 12 25.051 2.208 -17.484 1.00 0.00 H new ATOM 0 HG2 PRO A 12 22.064 2.313 -17.854 1.00 0.00 H new ATOM 0 HG3 PRO A 12 23.261 1.459 -18.807 1.00 0.00 H new ATOM 0 HD2 PRO A 12 21.755 0.182 -16.931 1.00 0.00 H new ATOM 0 HD3 PRO A 12 23.394 -0.326 -17.291 1.00 0.00 H new ATOM 207 N VAL A 13 23.647 4.061 -14.033 1.00 0.00 N ATOM 208 CA VAL A 13 22.956 5.143 -13.341 1.00 0.00 C ATOM 209 C VAL A 13 22.698 6.318 -14.278 1.00 0.00 C ATOM 210 O VAL A 13 21.858 7.174 -14.000 1.00 0.00 O ATOM 211 CB VAL A 13 23.762 5.636 -12.125 1.00 0.00 C ATOM 212 CG1 VAL A 13 24.202 4.463 -11.264 1.00 0.00 C ATOM 213 CG2 VAL A 13 24.961 6.455 -12.578 1.00 0.00 C ATOM 0 H VAL A 13 24.601 3.897 -13.712 1.00 0.00 H new ATOM 0 HA VAL A 13 22.003 4.742 -12.997 1.00 0.00 H new ATOM 0 HB VAL A 13 23.120 6.277 -11.521 1.00 0.00 H new ATOM 0 HG11 VAL A 13 24.770 4.832 -10.410 1.00 0.00 H new ATOM 0 HG12 VAL A 13 23.324 3.922 -10.910 1.00 0.00 H new ATOM 0 HG13 VAL A 13 24.828 3.793 -11.854 1.00 0.00 H new ATOM 0 HG21 VAL A 13 25.519 6.795 -11.706 1.00 0.00 H new ATOM 0 HG22 VAL A 13 25.606 5.839 -13.205 1.00 0.00 H new ATOM 0 HG23 VAL A 13 24.618 7.318 -13.149 1.00 0.00 H new ATOM 223 N SER A 14 23.427 6.353 -15.389 1.00 0.00 N ATOM 224 CA SER A 14 23.280 7.425 -16.366 1.00 0.00 C ATOM 225 C SER A 14 21.880 7.419 -16.973 1.00 0.00 C ATOM 226 O SER A 14 21.178 8.430 -16.956 1.00 0.00 O ATOM 227 CB SER A 14 24.328 7.284 -17.471 1.00 0.00 C ATOM 228 OG SER A 14 25.185 8.412 -17.508 1.00 0.00 O ATOM 0 H SER A 14 24.125 5.651 -15.635 1.00 0.00 H new ATOM 0 HA SER A 14 23.430 8.374 -15.852 1.00 0.00 H new ATOM 0 HB2 SER A 14 24.916 6.382 -17.305 1.00 0.00 H new ATOM 0 HB3 SER A 14 23.832 7.169 -18.435 1.00 0.00 H new ATOM 0 HG SER A 14 25.847 8.297 -18.221 1.00 0.00 H new ATOM 234 N LYS A 15 21.480 6.271 -17.510 1.00 0.00 N ATOM 235 CA LYS A 15 20.165 6.129 -18.122 1.00 0.00 C ATOM 236 C LYS A 15 19.061 6.450 -17.120 1.00 0.00 C ATOM 237 O LYS A 15 17.963 6.860 -17.500 1.00 0.00 O ATOM 238 CB LYS A 15 19.981 4.709 -18.662 1.00 0.00 C ATOM 239 CG LYS A 15 20.128 4.608 -20.170 1.00 0.00 C ATOM 240 CD LYS A 15 19.506 3.329 -20.707 1.00 0.00 C ATOM 241 CE LYS A 15 20.559 2.400 -21.291 1.00 0.00 C ATOM 242 NZ LYS A 15 19.996 1.523 -22.354 1.00 0.00 N ATOM 0 H LYS A 15 22.049 5.425 -17.533 1.00 0.00 H new ATOM 0 HA LYS A 15 20.099 6.837 -18.948 1.00 0.00 H new ATOM 0 HB2 LYS A 15 20.711 4.052 -18.189 1.00 0.00 H new ATOM 0 HB3 LYS A 15 18.994 4.346 -18.376 1.00 0.00 H new ATOM 0 HG2 LYS A 15 19.655 5.469 -20.641 1.00 0.00 H new ATOM 0 HG3 LYS A 15 21.184 4.640 -20.436 1.00 0.00 H new ATOM 0 HD2 LYS A 15 18.973 2.818 -19.905 1.00 0.00 H new ATOM 0 HD3 LYS A 15 18.771 3.575 -21.473 1.00 0.00 H new ATOM 0 HE2 LYS A 15 21.377 2.991 -21.703 1.00 0.00 H new ATOM 0 HE3 LYS A 15 20.980 1.784 -20.497 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 20.745 0.905 -22.727 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 19.233 0.940 -21.955 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 19.617 2.110 -23.124 1.00 0.00 H new ATOM 256 N CYS A 16 19.358 6.264 -15.839 1.00 0.00 N ATOM 257 CA CYS A 16 18.392 6.534 -14.781 1.00 0.00 C ATOM 258 C CYS A 16 18.183 8.036 -14.607 1.00 0.00 C ATOM 259 O CYS A 16 17.085 8.485 -14.277 1.00 0.00 O ATOM 260 CB CYS A 16 18.862 5.918 -13.462 1.00 0.00 C ATOM 261 SG CYS A 16 18.355 4.183 -13.230 1.00 0.00 S ATOM 0 H CYS A 16 20.262 5.927 -15.508 1.00 0.00 H new ATOM 0 HA CYS A 16 17.442 6.082 -15.067 1.00 0.00 H new ATOM 0 HB2 CYS A 16 19.949 5.977 -13.412 1.00 0.00 H new ATOM 0 HB3 CYS A 16 18.472 6.513 -12.636 1.00 0.00 H new ATOM 266 N GLN A 17 19.242 8.806 -14.832 1.00 0.00 N ATOM 267 CA GLN A 17 19.174 10.256 -14.699 1.00 0.00 C ATOM 268 C GLN A 17 18.597 10.892 -15.960 1.00 0.00 C ATOM 269 O GLN A 17 18.257 12.075 -15.971 1.00 0.00 O ATOM 270 CB GLN A 17 20.564 10.829 -14.415 1.00 0.00 C ATOM 271 CG GLN A 17 21.089 10.492 -13.029 1.00 0.00 C ATOM 272 CD GLN A 17 20.646 11.490 -11.978 1.00 0.00 C ATOM 273 OE1 GLN A 17 19.608 12.137 -12.119 1.00 0.00 O ATOM 274 NE2 GLN A 17 21.432 11.621 -10.916 1.00 0.00 N ATOM 0 H GLN A 17 20.157 8.450 -15.107 1.00 0.00 H new ATOM 0 HA GLN A 17 18.515 10.488 -13.863 1.00 0.00 H new ATOM 0 HB2 GLN A 17 21.263 10.451 -15.161 1.00 0.00 H new ATOM 0 HB3 GLN A 17 20.531 11.913 -14.529 1.00 0.00 H new ATOM 0 HG2 GLN A 17 20.746 9.497 -12.747 1.00 0.00 H new ATOM 0 HG3 GLN A 17 22.178 10.458 -13.056 1.00 0.00 H new ATOM 0 HE21 GLN A 17 22.283 11.065 -10.840 1.00 0.00 H new ATOM 0 HE22 GLN A 17 21.184 12.278 -10.176 1.00 0.00 H new ATOM 283 N LEU A 18 18.491 10.099 -17.020 1.00 0.00 N ATOM 284 CA LEU A 18 17.955 10.584 -18.288 1.00 0.00 C ATOM 285 C LEU A 18 16.456 10.844 -18.181 1.00 0.00 C ATOM 286 O LEU A 18 15.641 10.002 -18.559 1.00 0.00 O ATOM 287 CB LEU A 18 18.230 9.572 -19.401 1.00 0.00 C ATOM 288 CG LEU A 18 19.470 9.835 -20.256 1.00 0.00 C ATOM 289 CD1 LEU A 18 19.918 8.560 -20.953 1.00 0.00 C ATOM 290 CD2 LEU A 18 19.193 10.932 -21.273 1.00 0.00 C ATOM 0 H LEU A 18 18.769 9.118 -17.027 1.00 0.00 H new ATOM 0 HA LEU A 18 18.452 11.524 -18.529 1.00 0.00 H new ATOM 0 HB2 LEU A 18 18.327 8.584 -18.951 1.00 0.00 H new ATOM 0 HB3 LEU A 18 17.361 9.539 -20.058 1.00 0.00 H new ATOM 0 HG LEU A 18 20.275 10.169 -19.602 1.00 0.00 H new ATOM 0 HD11 LEU A 18 20.802 8.767 -21.557 1.00 0.00 H new ATOM 0 HD12 LEU A 18 20.157 7.802 -20.207 1.00 0.00 H new ATOM 0 HD13 LEU A 18 19.116 8.196 -21.596 1.00 0.00 H new ATOM 0 HD21 LEU A 18 20.086 11.106 -21.873 1.00 0.00 H new ATOM 0 HD22 LEU A 18 18.373 10.627 -21.923 1.00 0.00 H new ATOM 0 HD23 LEU A 18 18.921 11.850 -20.753 1.00 0.00 H new ATOM 302 N ARG A 19 16.099 12.016 -17.665 1.00 0.00 N ATOM 303 CA ARG A 19 14.698 12.388 -17.510 1.00 0.00 C ATOM 304 C ARG A 19 14.004 12.470 -18.866 1.00 0.00 C ATOM 305 O ARG A 19 12.786 12.317 -18.961 1.00 0.00 O ATOM 306 CB ARG A 19 14.582 13.730 -16.784 1.00 0.00 C ATOM 307 CG ARG A 19 14.228 13.597 -15.312 1.00 0.00 C ATOM 308 CD ARG A 19 13.655 14.891 -14.757 1.00 0.00 C ATOM 309 NE ARG A 19 14.670 15.935 -14.642 1.00 0.00 N ATOM 310 CZ ARG A 19 15.564 15.986 -13.661 1.00 0.00 C ATOM 311 NH1 ARG A 19 15.567 15.057 -12.714 1.00 0.00 N ATOM 312 NH2 ARG A 19 16.456 16.967 -13.625 1.00 0.00 N ATOM 0 H ARG A 19 16.761 12.724 -17.347 1.00 0.00 H new ATOM 0 HA ARG A 19 14.207 11.617 -16.916 1.00 0.00 H new ATOM 0 HB2 ARG A 19 15.527 14.266 -16.875 1.00 0.00 H new ATOM 0 HB3 ARG A 19 13.823 14.337 -17.278 1.00 0.00 H new ATOM 0 HG2 ARG A 19 13.504 12.792 -15.182 1.00 0.00 H new ATOM 0 HG3 ARG A 19 15.118 13.320 -14.746 1.00 0.00 H new ATOM 0 HD2 ARG A 19 12.850 15.238 -15.405 1.00 0.00 H new ATOM 0 HD3 ARG A 19 13.217 14.702 -13.777 1.00 0.00 H new ATOM 0 HE ARG A 19 14.694 16.665 -15.354 1.00 0.00 H new ATOM 0 HH11 ARG A 19 14.882 14.302 -12.738 1.00 0.00 H new ATOM 0 HH12 ARG A 19 16.254 15.098 -11.962 1.00 0.00 H new ATOM 0 HH21 ARG A 19 16.456 17.683 -14.351 1.00 0.00 H new ATOM 0 HH22 ARG A 19 17.142 17.005 -12.871 1.00 0.00 H new ATOM 326 N ILE A 20 14.787 12.714 -19.912 1.00 0.00 N ATOM 327 CA ILE A 20 14.247 12.816 -21.262 1.00 0.00 C ATOM 328 C ILE A 20 13.951 11.436 -21.842 1.00 0.00 C ATOM 329 O ILE A 20 13.054 11.279 -22.669 1.00 0.00 O ATOM 330 CB ILE A 20 15.216 13.558 -22.201 1.00 0.00 C ATOM 331 CG1 ILE A 20 15.753 14.819 -21.523 1.00 0.00 C ATOM 332 CG2 ILE A 20 14.522 13.908 -23.509 1.00 0.00 C ATOM 333 CD1 ILE A 20 16.712 15.608 -22.386 1.00 0.00 C ATOM 0 H ILE A 20 15.797 12.845 -19.850 1.00 0.00 H new ATOM 0 HA ILE A 20 13.319 13.383 -21.189 1.00 0.00 H new ATOM 0 HB ILE A 20 16.057 12.902 -22.423 1.00 0.00 H new ATOM 0 HG12 ILE A 20 14.914 15.459 -21.248 1.00 0.00 H new ATOM 0 HG13 ILE A 20 16.257 14.538 -20.598 1.00 0.00 H new ATOM 0 HG21 ILE A 20 15.220 14.432 -24.162 1.00 0.00 H new ATOM 0 HG22 ILE A 20 14.184 12.994 -23.998 1.00 0.00 H new ATOM 0 HG23 ILE A 20 13.664 14.549 -23.306 1.00 0.00 H new ATOM 0 HD11 ILE A 20 17.052 16.488 -21.841 1.00 0.00 H new ATOM 0 HD12 ILE A 20 17.569 14.985 -22.640 1.00 0.00 H new ATOM 0 HD13 ILE A 20 16.207 15.920 -23.300 1.00 0.00 H new ATOM 345 N ALA A 21 14.711 10.440 -21.399 1.00 0.00 N ATOM 346 CA ALA A 21 14.528 9.073 -21.870 1.00 0.00 C ATOM 347 C ALA A 21 14.837 8.066 -20.768 1.00 0.00 C ATOM 348 O ALA A 21 15.932 7.509 -20.712 1.00 0.00 O ATOM 349 CB ALA A 21 15.405 8.812 -23.086 1.00 0.00 C ATOM 0 H ALA A 21 15.459 10.554 -20.715 1.00 0.00 H new ATOM 0 HA ALA A 21 13.483 8.951 -22.155 1.00 0.00 H new ATOM 0 HB1 ALA A 21 15.258 7.787 -23.427 1.00 0.00 H new ATOM 0 HB2 ALA A 21 15.134 9.503 -23.885 1.00 0.00 H new ATOM 0 HB3 ALA A 21 16.451 8.959 -22.818 1.00 0.00 H new ATOM 355 N ASN A 22 13.864 7.838 -19.891 1.00 0.00 N ATOM 356 CA ASN A 22 14.033 6.899 -18.789 1.00 0.00 C ATOM 357 C ASN A 22 13.778 5.467 -19.250 1.00 0.00 C ATOM 358 O ASN A 22 12.664 4.957 -19.134 1.00 0.00 O ATOM 359 CB ASN A 22 13.086 7.253 -17.640 1.00 0.00 C ATOM 360 CG ASN A 22 13.717 7.024 -16.280 1.00 0.00 C ATOM 361 OD1 ASN A 22 14.908 7.265 -16.087 1.00 0.00 O ATOM 362 ND2 ASN A 22 12.917 6.556 -15.329 1.00 0.00 N ATOM 0 H ASN A 22 12.951 8.291 -19.923 1.00 0.00 H new ATOM 0 HA ASN A 22 15.062 6.971 -18.438 1.00 0.00 H new ATOM 0 HB2 ASN A 22 12.787 8.298 -17.728 1.00 0.00 H new ATOM 0 HB3 ASN A 22 12.179 6.654 -17.722 1.00 0.00 H new ATOM 0 HD21 ASN A 22 13.284 6.382 -14.393 1.00 0.00 H new ATOM 0 HD22 ASN A 22 11.935 6.370 -15.534 1.00 0.00 H new ATOM 369 N GLN A 23 14.818 4.825 -19.772 1.00 0.00 N ATOM 370 CA GLN A 23 14.706 3.452 -20.250 1.00 0.00 C ATOM 371 C GLN A 23 14.695 2.469 -19.084 1.00 0.00 C ATOM 372 O GLN A 23 14.535 1.263 -19.277 1.00 0.00 O ATOM 373 CB GLN A 23 15.861 3.124 -21.198 1.00 0.00 C ATOM 374 CG GLN A 23 15.414 2.825 -22.620 1.00 0.00 C ATOM 375 CD GLN A 23 14.997 1.379 -22.808 1.00 0.00 C ATOM 376 OE1 GLN A 23 15.758 0.458 -22.513 1.00 0.00 O ATOM 377 NE2 GLN A 23 13.781 1.174 -23.301 1.00 0.00 N ATOM 0 H GLN A 23 15.747 5.233 -19.875 1.00 0.00 H new ATOM 0 HA GLN A 23 13.764 3.358 -20.790 1.00 0.00 H new ATOM 0 HB2 GLN A 23 16.557 3.963 -21.213 1.00 0.00 H new ATOM 0 HB3 GLN A 23 16.407 2.264 -20.809 1.00 0.00 H new ATOM 0 HG2 GLN A 23 14.580 3.477 -22.879 1.00 0.00 H new ATOM 0 HG3 GLN A 23 16.226 3.058 -23.309 1.00 0.00 H new ATOM 0 HE21 GLN A 23 13.184 1.968 -23.532 1.00 0.00 H new ATOM 0 HE22 GLN A 23 13.444 0.223 -23.449 1.00 0.00 H new ATOM 386 N CYS A 24 14.867 2.991 -17.875 1.00 0.00 N ATOM 387 CA CYS A 24 14.878 2.159 -16.677 1.00 0.00 C ATOM 388 C CYS A 24 13.504 1.542 -16.431 1.00 0.00 C ATOM 389 O CYS A 24 13.362 0.321 -16.376 1.00 0.00 O ATOM 390 CB CYS A 24 15.303 2.986 -15.461 1.00 0.00 C ATOM 391 SG CYS A 24 16.852 2.424 -14.686 1.00 0.00 S ATOM 0 H CYS A 24 15.001 3.987 -17.698 1.00 0.00 H new ATOM 0 HA CYS A 24 15.596 1.354 -16.830 1.00 0.00 H new ATOM 0 HB2 CYS A 24 15.418 4.027 -15.765 1.00 0.00 H new ATOM 0 HB3 CYS A 24 14.506 2.957 -14.718 1.00 0.00 H new ATOM 396 N ASN A 25 12.496 2.395 -16.283 1.00 0.00 N ATOM 397 CA ASN A 25 11.133 1.933 -16.043 1.00 0.00 C ATOM 398 C ASN A 25 10.656 1.032 -17.177 1.00 0.00 C ATOM 399 O ASN A 25 9.960 0.042 -16.947 1.00 0.00 O ATOM 400 CB ASN A 25 10.188 3.127 -15.892 1.00 0.00 C ATOM 401 CG ASN A 25 9.960 3.853 -17.204 1.00 0.00 C ATOM 402 OD1 ASN A 25 10.649 4.825 -17.515 1.00 0.00 O ATOM 403 ND2 ASN A 25 8.991 3.384 -17.980 1.00 0.00 N ATOM 0 H ASN A 25 12.597 3.409 -16.325 1.00 0.00 H new ATOM 0 HA ASN A 25 11.129 1.355 -15.119 1.00 0.00 H new ATOM 0 HB2 ASN A 25 9.231 2.782 -15.499 1.00 0.00 H new ATOM 0 HB3 ASN A 25 10.600 3.823 -15.161 1.00 0.00 H new ATOM 0 HD21 ASN A 25 8.792 3.832 -18.875 1.00 0.00 H new ATOM 0 HD22 ASN A 25 8.445 2.576 -17.682 1.00 0.00 H new ATOM 410 N TYR A 26 11.035 1.380 -18.402 1.00 0.00 N ATOM 411 CA TYR A 26 10.645 0.604 -19.573 1.00 0.00 C ATOM 412 C TYR A 26 11.389 -0.727 -19.617 1.00 0.00 C ATOM 413 O TYR A 26 10.841 -1.743 -20.044 1.00 0.00 O ATOM 414 CB TYR A 26 10.920 1.397 -20.851 1.00 0.00 C ATOM 415 CG TYR A 26 9.799 1.323 -21.863 1.00 0.00 C ATOM 416 CD1 TYR A 26 9.750 0.301 -22.802 1.00 0.00 C ATOM 417 CD2 TYR A 26 8.787 2.276 -21.879 1.00 0.00 C ATOM 418 CE1 TYR A 26 8.728 0.230 -23.728 1.00 0.00 C ATOM 419 CE2 TYR A 26 7.760 2.212 -22.801 1.00 0.00 C ATOM 420 CZ TYR A 26 7.735 1.188 -23.724 1.00 0.00 C ATOM 421 OH TYR A 26 6.715 1.120 -24.644 1.00 0.00 O ATOM 0 H TYR A 26 11.612 2.195 -18.610 1.00 0.00 H new ATOM 0 HA TYR A 26 9.577 0.400 -19.503 1.00 0.00 H new ATOM 0 HB2 TYR A 26 11.094 2.441 -20.590 1.00 0.00 H new ATOM 0 HB3 TYR A 26 11.837 1.025 -21.309 1.00 0.00 H new ATOM 0 HD1 TYR A 26 10.525 -0.451 -22.808 1.00 0.00 H new ATOM 0 HD2 TYR A 26 8.804 3.080 -21.158 1.00 0.00 H new ATOM 0 HE1 TYR A 26 8.706 -0.571 -24.452 1.00 0.00 H new ATOM 0 HE2 TYR A 26 6.981 2.960 -22.799 1.00 0.00 H new ATOM 0 HH TYR A 26 6.098 1.869 -24.505 1.00 0.00 H new ATOM 431 N ASP A 27 12.640 -0.713 -19.170 1.00 0.00 N ATOM 432 CA ASP A 27 13.460 -1.919 -19.156 1.00 0.00 C ATOM 433 C ASP A 27 12.945 -2.914 -18.122 1.00 0.00 C ATOM 434 O ASP A 27 12.862 -4.114 -18.386 1.00 0.00 O ATOM 435 CB ASP A 27 14.919 -1.565 -18.861 1.00 0.00 C ATOM 436 CG ASP A 27 15.727 -2.768 -18.415 1.00 0.00 C ATOM 437 OD1 ASP A 27 16.237 -3.498 -19.290 1.00 0.00 O ATOM 438 OD2 ASP A 27 15.850 -2.978 -17.190 1.00 0.00 O ATOM 0 H ASP A 27 13.108 0.120 -18.813 1.00 0.00 H new ATOM 0 HA ASP A 27 13.399 -2.383 -20.141 1.00 0.00 H new ATOM 0 HB2 ASP A 27 15.374 -1.136 -19.754 1.00 0.00 H new ATOM 0 HB3 ASP A 27 14.955 -0.799 -18.086 1.00 0.00 H new ATOM 443 N CYS A 28 12.602 -2.409 -16.942 1.00 0.00 N ATOM 444 CA CYS A 28 12.096 -3.253 -15.866 1.00 0.00 C ATOM 445 C CYS A 28 10.938 -4.119 -16.352 1.00 0.00 C ATOM 446 O CYS A 28 10.992 -5.347 -16.280 1.00 0.00 O ATOM 447 CB CYS A 28 11.643 -2.392 -14.684 1.00 0.00 C ATOM 448 SG CYS A 28 13.009 -1.758 -13.660 1.00 0.00 S ATOM 0 H CYS A 28 12.665 -1.419 -16.706 1.00 0.00 H new ATOM 0 HA CYS A 28 12.904 -3.908 -15.541 1.00 0.00 H new ATOM 0 HB2 CYS A 28 11.065 -1.549 -15.063 1.00 0.00 H new ATOM 0 HB3 CYS A 28 10.974 -2.980 -14.055 1.00 0.00 H new ATOM 453 N LYS A 29 9.889 -3.470 -16.848 1.00 0.00 N ATOM 454 CA LYS A 29 8.717 -4.179 -17.348 1.00 0.00 C ATOM 455 C LYS A 29 9.081 -5.058 -18.541 1.00 0.00 C ATOM 456 O LYS A 29 8.462 -6.098 -18.770 1.00 0.00 O ATOM 457 CB LYS A 29 7.626 -3.183 -17.749 1.00 0.00 C ATOM 458 CG LYS A 29 7.303 -2.168 -16.667 1.00 0.00 C ATOM 459 CD LYS A 29 6.713 -0.897 -17.253 1.00 0.00 C ATOM 460 CE LYS A 29 5.331 -1.142 -17.840 1.00 0.00 C ATOM 461 NZ LYS A 29 4.404 -1.746 -16.843 1.00 0.00 N ATOM 0 H LYS A 29 9.827 -2.454 -16.914 1.00 0.00 H new ATOM 0 HA LYS A 29 8.341 -4.818 -16.549 1.00 0.00 H new ATOM 0 HB2 LYS A 29 7.941 -2.655 -18.649 1.00 0.00 H new ATOM 0 HB3 LYS A 29 6.719 -3.732 -18.003 1.00 0.00 H new ATOM 0 HG2 LYS A 29 6.600 -2.603 -15.957 1.00 0.00 H new ATOM 0 HG3 LYS A 29 8.209 -1.927 -16.111 1.00 0.00 H new ATOM 0 HD2 LYS A 29 6.650 -0.133 -16.478 1.00 0.00 H new ATOM 0 HD3 LYS A 29 7.375 -0.511 -18.028 1.00 0.00 H new ATOM 0 HE2 LYS A 29 4.916 -0.200 -18.197 1.00 0.00 H new ATOM 0 HE3 LYS A 29 5.415 -1.801 -18.704 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 3.421 -1.561 -17.127 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 4.564 -2.773 -16.798 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 4.579 -1.327 -15.908 1.00 0.00 H new ATOM 475 N LEU A 30 10.088 -4.634 -19.297 1.00 0.00 N ATOM 476 CA LEU A 30 10.536 -5.384 -20.465 1.00 0.00 C ATOM 477 C LEU A 30 10.864 -6.827 -20.094 1.00 0.00 C ATOM 478 O LEU A 30 10.366 -7.767 -20.714 1.00 0.00 O ATOM 479 CB LEU A 30 11.762 -4.714 -21.087 1.00 0.00 C ATOM 480 CG LEU A 30 11.804 -4.676 -22.615 1.00 0.00 C ATOM 481 CD1 LEU A 30 11.564 -6.063 -23.190 1.00 0.00 C ATOM 482 CD2 LEU A 30 10.778 -3.689 -23.153 1.00 0.00 C ATOM 0 H LEU A 30 10.609 -3.775 -19.122 1.00 0.00 H new ATOM 0 HA LEU A 30 9.725 -5.391 -21.193 1.00 0.00 H new ATOM 0 HB2 LEU A 30 11.819 -3.690 -20.716 1.00 0.00 H new ATOM 0 HB3 LEU A 30 12.653 -5.231 -20.732 1.00 0.00 H new ATOM 0 HG LEU A 30 12.795 -4.343 -22.924 1.00 0.00 H new ATOM 0 HD11 LEU A 30 11.597 -6.016 -24.278 1.00 0.00 H new ATOM 0 HD12 LEU A 30 12.336 -6.744 -22.832 1.00 0.00 H new ATOM 0 HD13 LEU A 30 10.586 -6.424 -22.872 1.00 0.00 H new ATOM 0 HD21 LEU A 30 10.822 -3.675 -24.242 1.00 0.00 H new ATOM 0 HD22 LEU A 30 9.780 -3.991 -22.834 1.00 0.00 H new ATOM 0 HD23 LEU A 30 10.995 -2.692 -22.769 1.00 0.00 H new ATOM 494 N ASP A 31 11.704 -6.994 -19.078 1.00 0.00 N ATOM 495 CA ASP A 31 12.096 -8.322 -18.622 1.00 0.00 C ATOM 496 C ASP A 31 11.486 -8.631 -17.258 1.00 0.00 C ATOM 497 O ASP A 31 10.618 -9.496 -17.135 1.00 0.00 O ATOM 498 CB ASP A 31 13.620 -8.430 -18.548 1.00 0.00 C ATOM 499 CG ASP A 31 14.201 -9.222 -19.702 1.00 0.00 C ATOM 500 OD1 ASP A 31 13.556 -9.276 -20.770 1.00 0.00 O ATOM 501 OD2 ASP A 31 15.302 -9.788 -19.537 1.00 0.00 O ATOM 0 H ASP A 31 12.126 -6.227 -18.555 1.00 0.00 H new ATOM 0 HA ASP A 31 11.722 -9.051 -19.341 1.00 0.00 H new ATOM 0 HB2 ASP A 31 14.052 -7.429 -18.544 1.00 0.00 H new ATOM 0 HB3 ASP A 31 13.903 -8.903 -17.608 1.00 0.00 H new ATOM 506 N LYS A 32 11.945 -7.918 -16.235 1.00 0.00 N ATOM 507 CA LYS A 32 11.445 -8.115 -14.879 1.00 0.00 C ATOM 508 C LYS A 32 9.920 -8.100 -14.855 1.00 0.00 C ATOM 509 O LYS A 32 9.296 -8.741 -14.008 1.00 0.00 O ATOM 510 CB LYS A 32 11.991 -7.029 -13.950 1.00 0.00 C ATOM 511 CG LYS A 32 13.493 -6.832 -14.061 1.00 0.00 C ATOM 512 CD LYS A 32 14.127 -6.599 -12.700 1.00 0.00 C ATOM 513 CE LYS A 32 15.573 -6.146 -12.829 1.00 0.00 C ATOM 514 NZ LYS A 32 16.115 -5.644 -11.536 1.00 0.00 N ATOM 0 H LYS A 32 12.663 -7.198 -16.319 1.00 0.00 H new ATOM 0 HA LYS A 32 11.787 -9.089 -14.529 1.00 0.00 H new ATOM 0 HB2 LYS A 32 11.492 -6.086 -14.174 1.00 0.00 H new ATOM 0 HB3 LYS A 32 11.742 -7.285 -12.920 1.00 0.00 H new ATOM 0 HG2 LYS A 32 13.942 -7.709 -14.527 1.00 0.00 H new ATOM 0 HG3 LYS A 32 13.702 -5.983 -14.711 1.00 0.00 H new ATOM 0 HD2 LYS A 32 13.556 -5.847 -12.156 1.00 0.00 H new ATOM 0 HD3 LYS A 32 14.083 -7.518 -12.115 1.00 0.00 H new ATOM 0 HE2 LYS A 32 16.184 -6.977 -13.180 1.00 0.00 H new ATOM 0 HE3 LYS A 32 15.642 -5.360 -13.581 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 16.947 -5.046 -11.717 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 15.387 -5.085 -11.048 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 16.391 -6.450 -10.939 1.00 0.00 H new ATOM 528 N HIS A 33 9.324 -7.365 -15.789 1.00 0.00 N ATOM 529 CA HIS A 33 7.871 -7.269 -15.875 1.00 0.00 C ATOM 530 C HIS A 33 7.299 -6.569 -14.646 1.00 0.00 C ATOM 531 O HIS A 33 6.176 -6.847 -14.228 1.00 0.00 O ATOM 532 CB HIS A 33 7.254 -8.661 -16.016 1.00 0.00 C ATOM 533 CG HIS A 33 5.964 -8.670 -16.776 1.00 0.00 C ATOM 534 ND1 HIS A 33 5.880 -8.995 -18.114 1.00 0.00 N ATOM 535 CD2 HIS A 33 4.700 -8.393 -16.379 1.00 0.00 C ATOM 536 CE1 HIS A 33 4.621 -8.916 -18.506 1.00 0.00 C ATOM 537 NE2 HIS A 33 3.885 -8.552 -17.472 1.00 0.00 N ATOM 0 H HIS A 33 9.825 -6.827 -16.497 1.00 0.00 H new ATOM 0 HA HIS A 33 7.622 -6.678 -16.757 1.00 0.00 H new ATOM 0 HB2 HIS A 33 7.966 -9.316 -16.518 1.00 0.00 H new ATOM 0 HB3 HIS A 33 7.084 -9.076 -15.023 1.00 0.00 H new ATOM 0 HD2 HIS A 33 4.390 -8.101 -15.386 1.00 0.00 H new ATOM 0 HE1 HIS A 33 4.256 -9.115 -19.503 1.00 0.00 H new ATOM 0 HE2 HIS A 33 2.875 -8.412 -17.484 1.00 0.00 H new ATOM 545 N ALA A 34 8.081 -5.661 -14.071 1.00 0.00 N ATOM 546 CA ALA A 34 7.652 -4.920 -12.891 1.00 0.00 C ATOM 547 C ALA A 34 6.344 -4.180 -13.153 1.00 0.00 C ATOM 548 O ALA A 34 5.781 -4.264 -14.244 1.00 0.00 O ATOM 549 CB ALA A 34 8.735 -3.944 -12.457 1.00 0.00 C ATOM 0 H ALA A 34 9.015 -5.421 -14.403 1.00 0.00 H new ATOM 0 HA ALA A 34 7.480 -5.635 -12.087 1.00 0.00 H new ATOM 0 HB1 ALA A 34 8.400 -3.398 -11.575 1.00 0.00 H new ATOM 0 HB2 ALA A 34 9.646 -4.493 -12.220 1.00 0.00 H new ATOM 0 HB3 ALA A 34 8.936 -3.240 -13.265 1.00 0.00 H new ATOM 555 N ARG A 35 5.867 -3.457 -12.145 1.00 0.00 N ATOM 556 CA ARG A 35 4.625 -2.704 -12.267 1.00 0.00 C ATOM 557 C ARG A 35 4.836 -1.436 -13.088 1.00 0.00 C ATOM 558 O ARG A 35 4.172 -1.224 -14.103 1.00 0.00 O ATOM 559 CB ARG A 35 4.085 -2.343 -10.881 1.00 0.00 C ATOM 560 CG ARG A 35 4.182 -3.478 -9.875 1.00 0.00 C ATOM 561 CD ARG A 35 3.637 -3.066 -8.517 1.00 0.00 C ATOM 562 NE ARG A 35 4.694 -2.944 -7.517 1.00 0.00 N ATOM 563 CZ ARG A 35 4.578 -2.217 -6.411 1.00 0.00 C ATOM 564 NH1 ARG A 35 3.458 -1.553 -6.164 1.00 0.00 N ATOM 565 NH2 ARG A 35 5.585 -2.155 -5.548 1.00 0.00 N ATOM 0 H ARG A 35 6.322 -3.377 -11.235 1.00 0.00 H new ATOM 0 HA ARG A 35 3.898 -3.332 -12.781 1.00 0.00 H new ATOM 0 HB2 ARG A 35 4.634 -1.482 -10.499 1.00 0.00 H new ATOM 0 HB3 ARG A 35 3.042 -2.040 -10.974 1.00 0.00 H new ATOM 0 HG2 ARG A 35 3.628 -4.341 -10.244 1.00 0.00 H new ATOM 0 HG3 ARG A 35 5.222 -3.787 -9.772 1.00 0.00 H new ATOM 0 HD2 ARG A 35 3.114 -2.114 -8.610 1.00 0.00 H new ATOM 0 HD3 ARG A 35 2.904 -3.801 -8.182 1.00 0.00 H new ATOM 0 HE ARG A 35 5.569 -3.444 -7.676 1.00 0.00 H new ATOM 0 HH11 ARG A 35 2.682 -1.599 -6.824 1.00 0.00 H new ATOM 0 HH12 ARG A 35 3.372 -0.996 -5.314 1.00 0.00 H new ATOM 0 HH21 ARG A 35 6.448 -2.666 -5.734 1.00 0.00 H new ATOM 0 HH22 ARG A 35 5.495 -1.597 -4.699 1.00 0.00 H new ATOM 579 N SER A 36 5.763 -0.595 -12.642 1.00 0.00 N ATOM 580 CA SER A 36 6.059 0.655 -13.333 1.00 0.00 C ATOM 581 C SER A 36 7.561 0.817 -13.544 1.00 0.00 C ATOM 582 O SER A 36 8.019 1.077 -14.656 1.00 0.00 O ATOM 583 CB SER A 36 5.513 1.843 -12.539 1.00 0.00 C ATOM 584 OG SER A 36 5.118 1.447 -11.236 1.00 0.00 O ATOM 0 H SER A 36 6.323 -0.756 -11.805 1.00 0.00 H new ATOM 0 HA SER A 36 5.574 0.625 -14.309 1.00 0.00 H new ATOM 0 HB2 SER A 36 6.274 2.620 -12.471 1.00 0.00 H new ATOM 0 HB3 SER A 36 4.662 2.276 -13.065 1.00 0.00 H new ATOM 0 HG SER A 36 4.774 2.224 -10.748 1.00 0.00 H new ATOM 590 N GLY A 37 8.324 0.660 -12.466 1.00 0.00 N ATOM 591 CA GLY A 37 9.767 0.793 -12.553 1.00 0.00 C ATOM 592 C GLY A 37 10.224 2.233 -12.441 1.00 0.00 C ATOM 593 O GLY A 37 9.670 3.119 -13.090 1.00 0.00 O ATOM 0 H GLY A 37 7.969 0.443 -11.535 1.00 0.00 H new ATOM 0 HA2 GLY A 37 10.231 0.205 -11.761 1.00 0.00 H new ATOM 0 HA3 GLY A 37 10.110 0.379 -13.501 1.00 0.00 H new ATOM 597 N GLU A 38 11.238 2.468 -11.613 1.00 0.00 N ATOM 598 CA GLU A 38 11.767 3.812 -11.416 1.00 0.00 C ATOM 599 C GLU A 38 13.203 3.762 -10.901 1.00 0.00 C ATOM 600 O GLU A 38 13.683 2.714 -10.469 1.00 0.00 O ATOM 601 CB GLU A 38 10.889 4.592 -10.436 1.00 0.00 C ATOM 602 CG GLU A 38 9.648 5.191 -11.074 1.00 0.00 C ATOM 603 CD GLU A 38 8.970 6.215 -10.184 1.00 0.00 C ATOM 604 OE1 GLU A 38 8.274 5.806 -9.231 1.00 0.00 O ATOM 605 OE2 GLU A 38 9.136 7.426 -10.441 1.00 0.00 O ATOM 0 H GLU A 38 11.709 1.745 -11.069 1.00 0.00 H new ATOM 0 HA GLU A 38 11.763 4.321 -12.380 1.00 0.00 H new ATOM 0 HB2 GLU A 38 10.586 3.929 -9.626 1.00 0.00 H new ATOM 0 HB3 GLU A 38 11.480 5.392 -9.990 1.00 0.00 H new ATOM 0 HG2 GLU A 38 9.921 5.661 -12.019 1.00 0.00 H new ATOM 0 HG3 GLU A 38 8.942 4.393 -11.306 1.00 0.00 H new ATOM 612 N CYS A 39 13.884 4.902 -10.952 1.00 0.00 N ATOM 613 CA CYS A 39 15.264 4.990 -10.492 1.00 0.00 C ATOM 614 C CYS A 39 15.367 5.857 -9.241 1.00 0.00 C ATOM 615 O CYS A 39 14.723 6.902 -9.142 1.00 0.00 O ATOM 616 CB CYS A 39 16.156 5.560 -11.596 1.00 0.00 C ATOM 617 SG CYS A 39 16.253 4.518 -13.087 1.00 0.00 S ATOM 0 H CYS A 39 13.502 5.778 -11.308 1.00 0.00 H new ATOM 0 HA CYS A 39 15.602 3.984 -10.244 1.00 0.00 H new ATOM 0 HB2 CYS A 39 15.783 6.545 -11.878 1.00 0.00 H new ATOM 0 HB3 CYS A 39 17.161 5.702 -11.199 1.00 0.00 H new ATOM 622 N PHE A 40 16.181 5.417 -8.287 1.00 0.00 N ATOM 623 CA PHE A 40 16.368 6.152 -7.042 1.00 0.00 C ATOM 624 C PHE A 40 17.752 5.887 -6.456 1.00 0.00 C ATOM 625 O PHE A 40 18.371 4.861 -6.739 1.00 0.00 O ATOM 626 CB PHE A 40 15.290 5.763 -6.028 1.00 0.00 C ATOM 627 CG PHE A 40 13.892 6.029 -6.509 1.00 0.00 C ATOM 628 CD1 PHE A 40 13.359 7.307 -6.457 1.00 0.00 C ATOM 629 CD2 PHE A 40 13.110 5.001 -7.011 1.00 0.00 C ATOM 630 CE1 PHE A 40 12.073 7.556 -6.898 1.00 0.00 C ATOM 631 CE2 PHE A 40 11.824 5.244 -7.455 1.00 0.00 C ATOM 632 CZ PHE A 40 11.304 6.522 -7.397 1.00 0.00 C ATOM 0 H PHE A 40 16.722 4.555 -8.353 1.00 0.00 H new ATOM 0 HA PHE A 40 16.283 7.216 -7.262 1.00 0.00 H new ATOM 0 HB2 PHE A 40 15.389 4.703 -5.792 1.00 0.00 H new ATOM 0 HB3 PHE A 40 15.458 6.313 -5.102 1.00 0.00 H new ATOM 0 HD1 PHE A 40 13.956 8.118 -6.067 1.00 0.00 H new ATOM 0 HD2 PHE A 40 13.510 3.999 -7.056 1.00 0.00 H new ATOM 0 HE1 PHE A 40 11.670 8.557 -6.853 1.00 0.00 H new ATOM 0 HE2 PHE A 40 11.226 4.435 -7.847 1.00 0.00 H new ATOM 0 HZ PHE A 40 10.298 6.713 -7.741 1.00 0.00 H new ATOM 642 N TYR A 41 18.230 6.819 -5.640 1.00 0.00 N ATOM 643 CA TYR A 41 19.542 6.688 -5.016 1.00 0.00 C ATOM 644 C TYR A 41 19.528 5.607 -3.940 1.00 0.00 C ATOM 645 O TYR A 41 18.487 5.314 -3.351 1.00 0.00 O ATOM 646 CB TYR A 41 19.976 8.023 -4.409 1.00 0.00 C ATOM 647 CG TYR A 41 20.235 9.101 -5.437 1.00 0.00 C ATOM 648 CD1 TYR A 41 19.202 9.906 -5.903 1.00 0.00 C ATOM 649 CD2 TYR A 41 21.511 9.314 -5.944 1.00 0.00 C ATOM 650 CE1 TYR A 41 19.433 10.891 -6.843 1.00 0.00 C ATOM 651 CE2 TYR A 41 21.751 10.298 -6.883 1.00 0.00 C ATOM 652 CZ TYR A 41 20.709 11.084 -7.330 1.00 0.00 C ATOM 653 OH TYR A 41 20.945 12.064 -8.266 1.00 0.00 O ATOM 0 H TYR A 41 17.729 7.673 -5.395 1.00 0.00 H new ATOM 0 HA TYR A 41 20.256 6.398 -5.787 1.00 0.00 H new ATOM 0 HB2 TYR A 41 19.204 8.367 -3.721 1.00 0.00 H new ATOM 0 HB3 TYR A 41 20.881 7.868 -3.822 1.00 0.00 H new ATOM 0 HD1 TYR A 41 18.202 9.759 -5.523 1.00 0.00 H new ATOM 0 HD2 TYR A 41 22.329 8.700 -5.598 1.00 0.00 H new ATOM 0 HE1 TYR A 41 18.619 11.507 -7.195 1.00 0.00 H new ATOM 0 HE2 TYR A 41 22.749 10.451 -7.265 1.00 0.00 H new ATOM 0 HH TYR A 41 21.908 12.232 -8.328 1.00 0.00 H new ATOM 663 N ASP A 42 20.692 5.018 -3.687 1.00 0.00 N ATOM 664 CA ASP A 42 20.816 3.971 -2.680 1.00 0.00 C ATOM 665 C ASP A 42 21.551 4.486 -1.447 1.00 0.00 C ATOM 666 O ASP A 42 21.778 5.687 -1.306 1.00 0.00 O ATOM 667 CB ASP A 42 21.553 2.762 -3.260 1.00 0.00 C ATOM 668 CG ASP A 42 23.059 2.907 -3.175 1.00 0.00 C ATOM 669 OD1 ASP A 42 23.551 4.050 -3.273 1.00 0.00 O ATOM 670 OD2 ASP A 42 23.747 1.877 -3.012 1.00 0.00 O ATOM 0 H ASP A 42 21.563 5.248 -4.166 1.00 0.00 H new ATOM 0 HA ASP A 42 19.813 3.668 -2.382 1.00 0.00 H new ATOM 0 HB2 ASP A 42 21.247 1.863 -2.726 1.00 0.00 H new ATOM 0 HB3 ASP A 42 21.262 2.628 -4.302 1.00 0.00 H new ATOM 675 N GLU A 43 21.918 3.570 -0.557 1.00 0.00 N ATOM 676 CA GLU A 43 22.625 3.934 0.666 1.00 0.00 C ATOM 677 C GLU A 43 23.886 4.733 0.348 1.00 0.00 C ATOM 678 O GLU A 43 24.242 5.665 1.068 1.00 0.00 O ATOM 679 CB GLU A 43 22.990 2.680 1.463 1.00 0.00 C ATOM 680 CG GLU A 43 21.816 1.744 1.696 1.00 0.00 C ATOM 681 CD GLU A 43 22.122 0.668 2.721 1.00 0.00 C ATOM 682 OE1 GLU A 43 22.851 -0.286 2.379 1.00 0.00 O ATOM 683 OE2 GLU A 43 21.633 0.783 3.864 1.00 0.00 O ATOM 0 H GLU A 43 21.738 2.571 -0.659 1.00 0.00 H new ATOM 0 HA GLU A 43 21.962 4.557 1.267 1.00 0.00 H new ATOM 0 HB2 GLU A 43 23.775 2.140 0.935 1.00 0.00 H new ATOM 0 HB3 GLU A 43 23.402 2.979 2.427 1.00 0.00 H new ATOM 0 HG2 GLU A 43 20.955 2.323 2.029 1.00 0.00 H new ATOM 0 HG3 GLU A 43 21.538 1.274 0.753 1.00 0.00 H new ATOM 690 N LYS A 44 24.557 4.360 -0.736 1.00 0.00 N ATOM 691 CA LYS A 44 25.778 5.040 -1.152 1.00 0.00 C ATOM 692 C LYS A 44 25.463 6.188 -2.106 1.00 0.00 C ATOM 693 O LYS A 44 26.286 6.552 -2.947 1.00 0.00 O ATOM 694 CB LYS A 44 26.733 4.051 -1.825 1.00 0.00 C ATOM 695 CG LYS A 44 27.606 3.287 -0.845 1.00 0.00 C ATOM 696 CD LYS A 44 28.994 3.896 -0.741 1.00 0.00 C ATOM 697 CE LYS A 44 29.998 2.903 -0.176 1.00 0.00 C ATOM 698 NZ LYS A 44 31.179 3.586 0.421 1.00 0.00 N ATOM 0 H LYS A 44 24.276 3.590 -1.343 1.00 0.00 H new ATOM 0 HA LYS A 44 26.257 5.450 -0.263 1.00 0.00 H new ATOM 0 HB2 LYS A 44 26.152 3.340 -2.412 1.00 0.00 H new ATOM 0 HB3 LYS A 44 27.372 4.593 -2.522 1.00 0.00 H new ATOM 0 HG2 LYS A 44 27.135 3.284 0.138 1.00 0.00 H new ATOM 0 HG3 LYS A 44 27.687 2.247 -1.163 1.00 0.00 H new ATOM 0 HD2 LYS A 44 29.322 4.226 -1.727 1.00 0.00 H new ATOM 0 HD3 LYS A 44 28.958 4.780 -0.105 1.00 0.00 H new ATOM 0 HE2 LYS A 44 29.513 2.288 0.582 1.00 0.00 H new ATOM 0 HE3 LYS A 44 30.329 2.231 -0.968 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 31.839 2.875 0.795 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 31.657 4.153 -0.308 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 30.866 4.208 1.194 1.00 0.00 H new ATOM 712 N ARG A 45 24.269 6.755 -1.969 1.00 0.00 N ATOM 713 CA ARG A 45 23.847 7.862 -2.818 1.00 0.00 C ATOM 714 C ARG A 45 24.052 7.525 -4.292 1.00 0.00 C ATOM 715 O ARG A 45 24.525 8.354 -5.068 1.00 0.00 O ATOM 716 CB ARG A 45 24.623 9.131 -2.461 1.00 0.00 C ATOM 717 CG ARG A 45 24.556 9.492 -0.986 1.00 0.00 C ATOM 718 CD ARG A 45 23.690 10.720 -0.752 1.00 0.00 C ATOM 719 NE ARG A 45 24.213 11.562 0.321 1.00 0.00 N ATOM 720 CZ ARG A 45 23.612 12.667 0.747 1.00 0.00 C ATOM 721 NH1 ARG A 45 22.473 13.061 0.195 1.00 0.00 N ATOM 722 NH2 ARG A 45 24.150 13.380 1.728 1.00 0.00 N ATOM 0 H ARG A 45 23.577 6.466 -1.278 1.00 0.00 H new ATOM 0 HA ARG A 45 22.784 8.034 -2.647 1.00 0.00 H new ATOM 0 HB2 ARG A 45 25.667 9.001 -2.747 1.00 0.00 H new ATOM 0 HB3 ARG A 45 24.233 9.962 -3.048 1.00 0.00 H new ATOM 0 HG2 ARG A 45 24.155 8.650 -0.422 1.00 0.00 H new ATOM 0 HG3 ARG A 45 25.562 9.678 -0.610 1.00 0.00 H new ATOM 0 HD2 ARG A 45 23.629 11.301 -1.672 1.00 0.00 H new ATOM 0 HD3 ARG A 45 22.676 10.407 -0.505 1.00 0.00 H new ATOM 0 HE ARG A 45 25.088 11.286 0.767 1.00 0.00 H new ATOM 0 HH11 ARG A 45 22.056 12.515 -0.559 1.00 0.00 H new ATOM 0 HH12 ARG A 45 22.014 13.910 0.524 1.00 0.00 H new ATOM 0 HH21 ARG A 45 25.026 13.080 2.156 1.00 0.00 H new ATOM 0 HH22 ARG A 45 23.688 14.229 2.055 1.00 0.00 H new ATOM 736 N ASN A 46 23.692 6.303 -4.670 1.00 0.00 N ATOM 737 CA ASN A 46 23.837 5.856 -6.050 1.00 0.00 C ATOM 738 C ASN A 46 22.476 5.555 -6.671 1.00 0.00 C ATOM 739 O ASN A 46 21.732 4.704 -6.181 1.00 0.00 O ATOM 740 CB ASN A 46 24.725 4.611 -6.115 1.00 0.00 C ATOM 741 CG ASN A 46 26.064 4.820 -5.433 1.00 0.00 C ATOM 742 OD1 ASN A 46 26.609 5.924 -5.436 1.00 0.00 O ATOM 743 ND2 ASN A 46 26.600 3.758 -4.844 1.00 0.00 N ATOM 0 H ASN A 46 23.298 5.605 -4.040 1.00 0.00 H new ATOM 0 HA ASN A 46 24.306 6.660 -6.618 1.00 0.00 H new ATOM 0 HB2 ASN A 46 24.208 3.774 -5.646 1.00 0.00 H new ATOM 0 HB3 ASN A 46 24.890 4.339 -7.158 1.00 0.00 H new ATOM 0 HD21 ASN A 46 27.499 3.838 -4.369 1.00 0.00 H new ATOM 0 HD22 ASN A 46 26.113 2.862 -4.866 1.00 0.00 H new ATOM 750 N LEU A 47 22.157 6.258 -7.752 1.00 0.00 N ATOM 751 CA LEU A 47 20.885 6.067 -8.441 1.00 0.00 C ATOM 752 C LEU A 47 20.845 4.714 -9.144 1.00 0.00 C ATOM 753 O LEU A 47 21.526 4.506 -10.149 1.00 0.00 O ATOM 754 CB LEU A 47 20.659 7.189 -9.456 1.00 0.00 C ATOM 755 CG LEU A 47 19.449 8.089 -9.203 1.00 0.00 C ATOM 756 CD1 LEU A 47 19.558 9.371 -10.013 1.00 0.00 C ATOM 757 CD2 LEU A 47 18.159 7.353 -9.537 1.00 0.00 C ATOM 0 H LEU A 47 22.761 6.965 -8.170 1.00 0.00 H new ATOM 0 HA LEU A 47 20.089 6.093 -7.697 1.00 0.00 H new ATOM 0 HB2 LEU A 47 21.552 7.813 -9.482 1.00 0.00 H new ATOM 0 HB3 LEU A 47 20.554 6.742 -10.444 1.00 0.00 H new ATOM 0 HG LEU A 47 19.431 8.353 -8.146 1.00 0.00 H new ATOM 0 HD11 LEU A 47 18.688 9.999 -9.820 1.00 0.00 H new ATOM 0 HD12 LEU A 47 20.463 9.907 -9.726 1.00 0.00 H new ATOM 0 HD13 LEU A 47 19.601 9.128 -11.075 1.00 0.00 H new ATOM 0 HD21 LEU A 47 17.308 8.008 -9.351 1.00 0.00 H new ATOM 0 HD22 LEU A 47 18.169 7.060 -10.587 1.00 0.00 H new ATOM 0 HD23 LEU A 47 18.075 6.464 -8.913 1.00 0.00 H new ATOM 769 N GLN A 48 20.042 3.799 -8.611 1.00 0.00 N ATOM 770 CA GLN A 48 19.913 2.467 -9.189 1.00 0.00 C ATOM 771 C GLN A 48 18.532 2.273 -9.807 1.00 0.00 C ATOM 772 O GLN A 48 17.591 3.002 -9.490 1.00 0.00 O ATOM 773 CB GLN A 48 20.162 1.399 -8.123 1.00 0.00 C ATOM 774 CG GLN A 48 21.608 1.329 -7.657 1.00 0.00 C ATOM 775 CD GLN A 48 21.912 0.059 -6.888 1.00 0.00 C ATOM 776 OE1 GLN A 48 22.341 -0.942 -7.464 1.00 0.00 O ATOM 777 NE2 GLN A 48 21.693 0.092 -5.579 1.00 0.00 N ATOM 0 H GLN A 48 19.471 3.956 -7.780 1.00 0.00 H new ATOM 0 HA GLN A 48 20.661 2.366 -9.976 1.00 0.00 H new ATOM 0 HB2 GLN A 48 19.522 1.599 -7.264 1.00 0.00 H new ATOM 0 HB3 GLN A 48 19.869 0.427 -8.519 1.00 0.00 H new ATOM 0 HG2 GLN A 48 22.268 1.392 -8.522 1.00 0.00 H new ATOM 0 HG3 GLN A 48 21.825 2.192 -7.027 1.00 0.00 H new ATOM 0 HE21 GLN A 48 21.337 0.942 -5.143 1.00 0.00 H new ATOM 0 HE22 GLN A 48 21.881 -0.733 -5.010 1.00 0.00 H new ATOM 786 N CYS A 49 18.417 1.287 -10.690 1.00 0.00 N ATOM 787 CA CYS A 49 17.152 0.997 -11.353 1.00 0.00 C ATOM 788 C CYS A 49 16.265 0.121 -10.473 1.00 0.00 C ATOM 789 O CYS A 49 16.282 -1.106 -10.584 1.00 0.00 O ATOM 790 CB CYS A 49 17.402 0.305 -12.694 1.00 0.00 C ATOM 791 SG CYS A 49 16.102 0.598 -13.936 1.00 0.00 S ATOM 0 H CYS A 49 19.186 0.675 -10.963 1.00 0.00 H new ATOM 0 HA CYS A 49 16.638 1.942 -11.530 1.00 0.00 H new ATOM 0 HB2 CYS A 49 18.356 0.647 -13.095 1.00 0.00 H new ATOM 0 HB3 CYS A 49 17.493 -0.768 -12.525 1.00 0.00 H new ATOM 796 N ILE A 50 15.491 0.759 -9.602 1.00 0.00 N ATOM 797 CA ILE A 50 14.597 0.038 -8.705 1.00 0.00 C ATOM 798 C ILE A 50 13.264 -0.263 -9.382 1.00 0.00 C ATOM 799 O ILE A 50 12.496 0.647 -9.697 1.00 0.00 O ATOM 800 CB ILE A 50 14.335 0.833 -7.412 1.00 0.00 C ATOM 801 CG1 ILE A 50 15.583 0.834 -6.527 1.00 0.00 C ATOM 802 CG2 ILE A 50 13.148 0.248 -6.661 1.00 0.00 C ATOM 803 CD1 ILE A 50 16.023 2.219 -6.105 1.00 0.00 C ATOM 0 H ILE A 50 15.465 1.773 -9.498 1.00 0.00 H new ATOM 0 HA ILE A 50 15.093 -0.899 -8.452 1.00 0.00 H new ATOM 0 HB ILE A 50 14.099 1.863 -7.678 1.00 0.00 H new ATOM 0 HG12 ILE A 50 15.388 0.236 -5.637 1.00 0.00 H new ATOM 0 HG13 ILE A 50 16.399 0.350 -7.063 1.00 0.00 H new ATOM 0 HG21 ILE A 50 12.976 0.821 -5.750 1.00 0.00 H new ATOM 0 HG22 ILE A 50 12.260 0.294 -7.292 1.00 0.00 H new ATOM 0 HG23 ILE A 50 13.357 -0.790 -6.403 1.00 0.00 H new ATOM 0 HD11 ILE A 50 16.913 2.143 -5.480 1.00 0.00 H new ATOM 0 HD12 ILE A 50 16.250 2.814 -6.990 1.00 0.00 H new ATOM 0 HD13 ILE A 50 15.223 2.699 -5.541 1.00 0.00 H new ATOM 815 N CYS A 51 12.994 -1.545 -9.602 1.00 0.00 N ATOM 816 CA CYS A 51 11.753 -1.967 -10.241 1.00 0.00 C ATOM 817 C CYS A 51 10.682 -2.275 -9.198 1.00 0.00 C ATOM 818 O CYS A 51 10.991 -2.549 -8.038 1.00 0.00 O ATOM 819 CB CYS A 51 11.998 -3.198 -11.115 1.00 0.00 C ATOM 820 SG CYS A 51 13.443 -3.053 -12.215 1.00 0.00 S ATOM 0 H CYS A 51 13.618 -2.310 -9.347 1.00 0.00 H new ATOM 0 HA CYS A 51 11.400 -1.149 -10.869 1.00 0.00 H new ATOM 0 HB2 CYS A 51 12.131 -4.067 -10.471 1.00 0.00 H new ATOM 0 HB3 CYS A 51 11.111 -3.383 -11.721 1.00 0.00 H new ATOM 825 N ASP A 52 9.423 -2.228 -9.620 1.00 0.00 N ATOM 826 CA ASP A 52 8.306 -2.503 -8.724 1.00 0.00 C ATOM 827 C ASP A 52 7.812 -3.936 -8.895 1.00 0.00 C ATOM 828 O ASP A 52 7.400 -4.336 -9.985 1.00 0.00 O ATOM 829 CB ASP A 52 7.162 -1.522 -8.985 1.00 0.00 C ATOM 830 CG ASP A 52 6.963 -0.547 -7.841 1.00 0.00 C ATOM 831 OD1 ASP A 52 7.918 -0.344 -7.062 1.00 0.00 O ATOM 832 OD2 ASP A 52 5.854 0.014 -7.726 1.00 0.00 O ATOM 0 H ASP A 52 9.151 -2.002 -10.577 1.00 0.00 H new ATOM 0 HA ASP A 52 8.655 -2.378 -7.699 1.00 0.00 H new ATOM 0 HB2 ASP A 52 7.365 -0.967 -9.901 1.00 0.00 H new ATOM 0 HB3 ASP A 52 6.240 -2.079 -9.148 1.00 0.00 H new ATOM 837 N TYR A 53 7.858 -4.705 -7.813 1.00 0.00 N ATOM 838 CA TYR A 53 7.418 -6.095 -7.844 1.00 0.00 C ATOM 839 C TYR A 53 6.283 -6.329 -6.853 1.00 0.00 C ATOM 840 O TYR A 53 6.495 -6.348 -5.640 1.00 0.00 O ATOM 841 CB TYR A 53 8.588 -7.029 -7.528 1.00 0.00 C ATOM 842 CG TYR A 53 9.230 -7.633 -8.756 1.00 0.00 C ATOM 843 CD1 TYR A 53 8.757 -8.822 -9.298 1.00 0.00 C ATOM 844 CD2 TYR A 53 10.309 -7.014 -9.375 1.00 0.00 C ATOM 845 CE1 TYR A 53 9.341 -9.378 -10.419 1.00 0.00 C ATOM 846 CE2 TYR A 53 10.898 -7.562 -10.498 1.00 0.00 C ATOM 847 CZ TYR A 53 10.411 -8.744 -11.016 1.00 0.00 C ATOM 848 OH TYR A 53 10.995 -9.294 -12.134 1.00 0.00 O ATOM 0 H TYR A 53 8.195 -4.390 -6.904 1.00 0.00 H new ATOM 0 HA TYR A 53 7.050 -6.311 -8.847 1.00 0.00 H new ATOM 0 HB2 TYR A 53 9.343 -6.476 -6.969 1.00 0.00 H new ATOM 0 HB3 TYR A 53 8.236 -7.832 -6.880 1.00 0.00 H new ATOM 0 HD1 TYR A 53 7.918 -9.320 -8.834 1.00 0.00 H new ATOM 0 HD2 TYR A 53 10.694 -6.089 -8.971 1.00 0.00 H new ATOM 0 HE1 TYR A 53 8.962 -10.304 -10.826 1.00 0.00 H new ATOM 0 HE2 TYR A 53 11.735 -7.068 -10.968 1.00 0.00 H new ATOM 0 HH TYR A 53 10.305 -9.487 -12.802 1.00 0.00 H new ATOM 858 N CYS A 54 5.075 -6.509 -7.378 1.00 0.00 N ATOM 859 CA CYS A 54 3.904 -6.743 -6.542 1.00 0.00 C ATOM 860 C CYS A 54 2.659 -6.958 -7.397 1.00 0.00 C ATOM 861 O CYS A 54 1.783 -7.749 -7.048 1.00 0.00 O ATOM 862 CB CYS A 54 3.686 -5.564 -5.591 1.00 0.00 C ATOM 863 SG CYS A 54 4.094 -5.924 -3.853 1.00 0.00 S ATOM 0 H CYS A 54 4.882 -6.497 -8.380 1.00 0.00 H new ATOM 0 HA CYS A 54 4.081 -7.645 -5.957 1.00 0.00 H new ATOM 0 HB2 CYS A 54 4.291 -4.723 -5.928 1.00 0.00 H new ATOM 0 HB3 CYS A 54 2.644 -5.251 -5.651 1.00 0.00 H new