USER MOD reduce.3.24.130724 H: found=0, std=0, add=386, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 386 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 34 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 54 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 8 TYR OH : rot -116:sc= 0.437 USER MOD Set 2.2: A 11 TYR OH : rot -153:sc= -1.29! USER MOD Single : A 5 LYS NZ :NH3+ -134:sc= -0.689 (180deg=-2.66!) USER MOD Single : A 6 LYS NZ :NH3+ 142:sc= 0.579 (180deg=-0.528) USER MOD Single : A 10 ASN : amide:sc= -0.642 K(o=-0.64,f=-2!) 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 17 GLN : amide:sc= -1.23 X(o=-1.2,f=-1.4!) USER MOD Single : A 20 ASN : amide:sc= 0 X(o=0,f=-0.25) USER MOD Single : A 21 GLN : amide:sc= -6.82! C(o=-6.8!,f=-13!) USER MOD Single : A 23 ASN : amide:sc= -2.57! C(o=-2.6!,f=-9.4!) USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 LYS NZ :NH3+ 171:sc= -2.26 (180deg=-2.62) USER MOD Single : A 31 HIS : no HD1:sc= -1.99! K(o=-2!,f=-0.96) USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 ASN : amide:sc= -0.402 K(o=-0.4,f=-2.9!) USER MOD Single : A 46 GLN : amide:sc= -0.611 K(o=-0.61,f=-3.6!) USER MOD Single : A 51 TYR OH : rot 180:sc= -3.07 USER MOD ----------------------------------------------------------------- ATOM 35 N CYS A 4 91.317 -14.351 -51.533 1.00 0.00 N ATOM 36 CA CYS A 4 91.583 -15.152 -50.342 1.00 0.00 C ATOM 37 C CYS A 4 90.418 -15.080 -49.368 1.00 0.00 C ATOM 38 O CYS A 4 90.178 -16.006 -48.593 1.00 0.00 O ATOM 39 CB CYS A 4 92.824 -14.622 -49.624 1.00 0.00 C ATOM 40 SG CYS A 4 94.232 -14.639 -50.760 1.00 0.00 S ATOM 0 HA CYS A 4 91.732 -16.183 -50.664 1.00 0.00 H new ATOM 0 HB2 CYS A 4 92.645 -13.608 -49.266 1.00 0.00 H new ATOM 0 HB3 CYS A 4 93.041 -15.236 -48.750 1.00 0.00 H new ATOM 45 N LYS A 5 89.707 -13.957 -49.396 1.00 0.00 N ATOM 46 CA LYS A 5 88.580 -13.755 -48.493 1.00 0.00 C ATOM 47 C LYS A 5 87.352 -14.510 -48.992 1.00 0.00 C ATOM 48 O LYS A 5 86.828 -14.221 -50.067 1.00 0.00 O ATOM 49 CB LYS A 5 88.258 -12.264 -48.387 1.00 0.00 C ATOM 50 CG LYS A 5 89.560 -11.460 -48.369 1.00 0.00 C ATOM 51 CD LYS A 5 90.434 -11.930 -47.204 1.00 0.00 C ATOM 52 CE LYS A 5 91.612 -10.971 -47.031 1.00 0.00 C ATOM 53 NZ LYS A 5 91.144 -9.722 -46.369 1.00 0.00 N ATOM 0 H LYS A 5 89.889 -13.178 -50.029 1.00 0.00 H new ATOM 0 HA LYS A 5 88.852 -14.138 -47.510 1.00 0.00 H new ATOM 0 HB2 LYS A 5 87.639 -11.954 -49.229 1.00 0.00 H new ATOM 0 HB3 LYS A 5 87.685 -12.068 -47.481 1.00 0.00 H new ATOM 0 HG2 LYS A 5 90.092 -11.588 -49.312 1.00 0.00 H new ATOM 0 HG3 LYS A 5 89.342 -10.397 -48.268 1.00 0.00 H new ATOM 0 HD2 LYS A 5 89.846 -11.970 -46.287 1.00 0.00 H new ATOM 0 HD3 LYS A 5 90.798 -12.940 -47.393 1.00 0.00 H new ATOM 0 HE2 LYS A 5 92.393 -11.441 -46.433 1.00 0.00 H new ATOM 0 HE3 LYS A 5 92.051 -10.738 -48.001 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 91.530 -8.897 -46.871 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 90.105 -9.686 -46.391 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 91.470 -9.709 -45.381 1.00 0.00 H new ATOM 67 N LYS A 6 86.898 -15.479 -48.202 1.00 0.00 N ATOM 68 CA LYS A 6 85.722 -16.261 -48.566 1.00 0.00 C ATOM 69 C LYS A 6 84.674 -16.199 -47.459 1.00 0.00 C ATOM 70 O LYS A 6 84.999 -16.314 -46.278 1.00 0.00 O ATOM 71 CB LYS A 6 86.120 -17.716 -48.816 1.00 0.00 C ATOM 72 CG LYS A 6 87.116 -17.783 -49.975 1.00 0.00 C ATOM 73 CD LYS A 6 87.320 -19.241 -50.391 1.00 0.00 C ATOM 74 CE LYS A 6 88.463 -19.328 -51.404 1.00 0.00 C ATOM 75 NZ LYS A 6 89.748 -18.976 -50.736 1.00 0.00 N ATOM 0 H LYS A 6 87.323 -15.740 -47.312 1.00 0.00 H new ATOM 0 HA LYS A 6 85.296 -15.840 -49.477 1.00 0.00 H new ATOM 0 HB2 LYS A 6 86.564 -18.142 -47.916 1.00 0.00 H new ATOM 0 HB3 LYS A 6 85.236 -18.311 -49.048 1.00 0.00 H new ATOM 0 HG2 LYS A 6 86.747 -17.201 -50.820 1.00 0.00 H new ATOM 0 HG3 LYS A 6 88.067 -17.343 -49.676 1.00 0.00 H new ATOM 0 HD2 LYS A 6 87.548 -19.851 -49.517 1.00 0.00 H new ATOM 0 HD3 LYS A 6 86.403 -19.638 -50.827 1.00 0.00 H new ATOM 0 HE2 LYS A 6 88.520 -20.335 -51.818 1.00 0.00 H new ATOM 0 HE3 LYS A 6 88.277 -18.651 -52.237 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 90.508 -19.585 -51.101 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 89.979 -17.981 -50.930 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 89.655 -19.116 -49.710 1.00 0.00 H new ATOM 89 N VAL A 7 83.416 -16.016 -47.850 1.00 0.00 N ATOM 90 CA VAL A 7 82.333 -15.916 -46.879 1.00 0.00 C ATOM 91 C VAL A 7 81.467 -17.171 -46.909 1.00 0.00 C ATOM 92 O VAL A 7 80.986 -17.581 -47.966 1.00 0.00 O ATOM 93 CB VAL A 7 81.469 -14.691 -47.182 1.00 0.00 C ATOM 94 CG1 VAL A 7 80.829 -14.845 -48.563 1.00 0.00 C ATOM 95 CG2 VAL A 7 80.371 -14.568 -46.124 1.00 0.00 C ATOM 0 H VAL A 7 83.124 -15.935 -48.824 1.00 0.00 H new ATOM 0 HA VAL A 7 82.771 -15.814 -45.886 1.00 0.00 H new ATOM 0 HB VAL A 7 82.091 -13.796 -47.168 1.00 0.00 H new ATOM 0 HG11 VAL A 7 80.213 -13.972 -48.778 1.00 0.00 H new ATOM 0 HG12 VAL A 7 81.610 -14.933 -49.318 1.00 0.00 H new ATOM 0 HG13 VAL A 7 80.207 -15.740 -48.578 1.00 0.00 H new ATOM 0 HG21 VAL A 7 79.755 -13.695 -46.339 1.00 0.00 H new ATOM 0 HG22 VAL A 7 79.750 -15.463 -46.139 1.00 0.00 H new ATOM 0 HG23 VAL A 7 80.825 -14.458 -45.139 1.00 0.00 H new ATOM 105 N TYR A 8 81.271 -17.776 -45.742 1.00 0.00 N ATOM 106 CA TYR A 8 80.412 -18.951 -45.637 1.00 0.00 C ATOM 107 C TYR A 8 79.519 -18.851 -44.404 1.00 0.00 C ATOM 108 O TYR A 8 80.003 -18.860 -43.272 1.00 0.00 O ATOM 109 CB TYR A 8 81.266 -20.218 -45.552 1.00 0.00 C ATOM 110 CG TYR A 8 81.659 -20.467 -44.115 1.00 0.00 C ATOM 111 CD1 TYR A 8 82.837 -19.909 -43.604 1.00 0.00 C ATOM 112 CD2 TYR A 8 80.845 -21.257 -43.294 1.00 0.00 C ATOM 113 CE1 TYR A 8 83.202 -20.141 -42.272 1.00 0.00 C ATOM 114 CE2 TYR A 8 81.210 -21.489 -41.962 1.00 0.00 C ATOM 115 CZ TYR A 8 82.388 -20.932 -41.451 1.00 0.00 C ATOM 116 OH TYR A 8 82.748 -21.160 -40.139 1.00 0.00 O ATOM 0 H TYR A 8 81.691 -17.476 -44.862 1.00 0.00 H new ATOM 0 HA TYR A 8 79.782 -18.999 -46.525 1.00 0.00 H new ATOM 0 HB2 TYR A 8 80.709 -21.071 -45.941 1.00 0.00 H new ATOM 0 HB3 TYR A 8 82.157 -20.110 -46.170 1.00 0.00 H new ATOM 0 HD1 TYR A 8 83.464 -19.299 -44.237 1.00 0.00 H new ATOM 0 HD2 TYR A 8 79.936 -21.687 -43.688 1.00 0.00 H new ATOM 0 HE1 TYR A 8 84.111 -19.710 -41.878 1.00 0.00 H new ATOM 0 HE2 TYR A 8 80.582 -22.098 -41.329 1.00 0.00 H new ATOM 0 HH TYR A 8 82.922 -22.116 -40.009 1.00 0.00 H new ATOM 126 N GLU A 9 78.213 -18.754 -44.633 1.00 0.00 N ATOM 127 CA GLU A 9 77.266 -18.566 -43.541 1.00 0.00 C ATOM 128 C GLU A 9 77.173 -19.825 -42.685 1.00 0.00 C ATOM 129 O GLU A 9 77.824 -19.931 -41.645 1.00 0.00 O ATOM 130 CB GLU A 9 75.885 -18.224 -44.100 1.00 0.00 C ATOM 131 CG GLU A 9 76.005 -17.046 -45.070 1.00 0.00 C ATOM 132 CD GLU A 9 74.620 -16.617 -45.542 1.00 0.00 C ATOM 133 OE1 GLU A 9 73.669 -17.324 -45.249 1.00 0.00 O ATOM 134 OE2 GLU A 9 74.529 -15.588 -46.191 1.00 0.00 O ATOM 0 H GLU A 9 77.789 -18.802 -45.559 1.00 0.00 H new ATOM 0 HA GLU A 9 77.620 -17.744 -42.918 1.00 0.00 H new ATOM 0 HB2 GLU A 9 75.464 -19.089 -44.612 1.00 0.00 H new ATOM 0 HB3 GLU A 9 75.204 -17.972 -43.287 1.00 0.00 H new ATOM 0 HG2 GLU A 9 76.507 -16.211 -44.581 1.00 0.00 H new ATOM 0 HG3 GLU A 9 76.618 -17.329 -45.925 1.00 0.00 H new ATOM 141 N ASN A 10 76.358 -20.778 -43.128 1.00 0.00 N ATOM 142 CA ASN A 10 76.107 -21.980 -42.343 1.00 0.00 C ATOM 143 C ASN A 10 75.478 -21.617 -41.002 1.00 0.00 C ATOM 144 O ASN A 10 74.375 -22.057 -40.681 1.00 0.00 O ATOM 145 CB ASN A 10 77.417 -22.735 -42.107 1.00 0.00 C ATOM 146 CG ASN A 10 77.916 -23.334 -43.416 1.00 0.00 C ATOM 147 OD1 ASN A 10 77.201 -23.321 -44.419 1.00 0.00 O ATOM 148 ND2 ASN A 10 79.108 -23.862 -43.469 1.00 0.00 N ATOM 0 H ASN A 10 75.864 -20.741 -44.020 1.00 0.00 H new ATOM 0 HA ASN A 10 75.418 -22.617 -42.897 1.00 0.00 H new ATOM 0 HB2 ASN A 10 78.167 -22.059 -41.698 1.00 0.00 H new ATOM 0 HB3 ASN A 10 77.264 -23.524 -41.371 1.00 0.00 H new ATOM 0 HD21 ASN A 10 79.449 -24.265 -44.342 1.00 0.00 H new ATOM 0 HD22 ASN A 10 79.699 -23.872 -42.638 1.00 0.00 H new ATOM 155 N TYR A 11 76.190 -20.807 -40.225 1.00 0.00 N ATOM 156 CA TYR A 11 75.643 -20.280 -38.980 1.00 0.00 C ATOM 157 C TYR A 11 75.653 -18.754 -39.001 1.00 0.00 C ATOM 158 O TYR A 11 76.706 -18.126 -38.884 1.00 0.00 O ATOM 159 CB TYR A 11 76.465 -20.783 -37.793 1.00 0.00 C ATOM 160 CG TYR A 11 77.922 -20.459 -38.012 1.00 0.00 C ATOM 161 CD1 TYR A 11 78.425 -19.206 -37.637 1.00 0.00 C ATOM 162 CD2 TYR A 11 78.772 -21.409 -38.590 1.00 0.00 C ATOM 163 CE1 TYR A 11 79.776 -18.905 -37.840 1.00 0.00 C ATOM 164 CE2 TYR A 11 80.124 -21.107 -38.793 1.00 0.00 C ATOM 165 CZ TYR A 11 80.627 -19.856 -38.418 1.00 0.00 C ATOM 166 OH TYR A 11 81.959 -19.560 -38.618 1.00 0.00 O ATOM 0 H TYR A 11 77.141 -20.503 -40.434 1.00 0.00 H new ATOM 0 HA TYR A 11 74.615 -20.626 -38.878 1.00 0.00 H new ATOM 0 HB2 TYR A 11 76.113 -20.319 -36.872 1.00 0.00 H new ATOM 0 HB3 TYR A 11 76.335 -21.859 -37.678 1.00 0.00 H new ATOM 0 HD1 TYR A 11 77.770 -18.473 -37.191 1.00 0.00 H new ATOM 0 HD2 TYR A 11 78.385 -22.375 -38.879 1.00 0.00 H new ATOM 0 HE1 TYR A 11 80.163 -17.939 -37.551 1.00 0.00 H new ATOM 0 HE2 TYR A 11 80.779 -21.840 -39.239 1.00 0.00 H new ATOM 0 HH TYR A 11 82.301 -20.083 -39.373 1.00 0.00 H new ATOM 176 N PRO A 12 74.502 -18.157 -39.152 1.00 0.00 N ATOM 177 CA PRO A 12 74.362 -16.680 -39.255 1.00 0.00 C ATOM 178 C PRO A 12 75.154 -15.945 -38.177 1.00 0.00 C ATOM 179 O PRO A 12 75.868 -16.561 -37.386 1.00 0.00 O ATOM 180 CB PRO A 12 72.825 -16.426 -39.113 1.00 0.00 C ATOM 181 CG PRO A 12 72.212 -17.709 -39.579 1.00 0.00 C ATOM 182 CD PRO A 12 73.200 -18.832 -39.240 1.00 0.00 C ATOM 0 HA PRO A 12 74.763 -16.301 -40.195 1.00 0.00 H new ATOM 0 HB2 PRO A 12 72.549 -16.201 -38.083 1.00 0.00 H new ATOM 0 HB3 PRO A 12 72.500 -15.582 -39.722 1.00 0.00 H new ATOM 0 HG2 PRO A 12 71.254 -17.878 -39.088 1.00 0.00 H new ATOM 0 HG3 PRO A 12 72.019 -17.676 -40.651 1.00 0.00 H new ATOM 0 HD2 PRO A 12 72.941 -19.320 -38.300 1.00 0.00 H new ATOM 0 HD3 PRO A 12 73.204 -19.604 -40.009 1.00 0.00 H new ATOM 190 N VAL A 13 75.022 -14.622 -38.154 1.00 0.00 N ATOM 191 CA VAL A 13 75.759 -13.804 -37.199 1.00 0.00 C ATOM 192 C VAL A 13 75.658 -14.398 -35.797 1.00 0.00 C ATOM 193 O VAL A 13 76.370 -13.981 -34.884 1.00 0.00 O ATOM 194 CB VAL A 13 75.202 -12.380 -37.194 1.00 0.00 C ATOM 195 CG1 VAL A 13 73.680 -12.427 -37.340 1.00 0.00 C ATOM 196 CG2 VAL A 13 75.565 -11.695 -35.874 1.00 0.00 C ATOM 0 H VAL A 13 74.415 -14.097 -38.783 1.00 0.00 H new ATOM 0 HA VAL A 13 76.807 -13.783 -37.498 1.00 0.00 H new ATOM 0 HB VAL A 13 75.630 -11.820 -38.025 1.00 0.00 H new ATOM 0 HG11 VAL A 13 73.283 -11.412 -37.336 1.00 0.00 H new ATOM 0 HG12 VAL A 13 73.419 -12.915 -38.279 1.00 0.00 H new ATOM 0 HG13 VAL A 13 73.252 -12.987 -36.509 1.00 0.00 H new ATOM 0 HG21 VAL A 13 75.168 -10.680 -35.870 1.00 0.00 H new ATOM 0 HG22 VAL A 13 75.136 -12.256 -35.043 1.00 0.00 H new ATOM 0 HG23 VAL A 13 76.649 -11.661 -35.768 1.00 0.00 H new ATOM 206 N SER A 14 74.770 -15.373 -35.636 1.00 0.00 N ATOM 207 CA SER A 14 74.561 -15.994 -34.333 1.00 0.00 C ATOM 208 C SER A 14 75.895 -16.228 -33.632 1.00 0.00 C ATOM 209 O SER A 14 76.064 -15.875 -32.465 1.00 0.00 O ATOM 210 CB SER A 14 73.830 -17.327 -34.502 1.00 0.00 C ATOM 211 OG SER A 14 73.502 -17.848 -33.221 1.00 0.00 O ATOM 0 H SER A 14 74.188 -15.748 -36.385 1.00 0.00 H new ATOM 0 HA SER A 14 73.956 -15.323 -33.723 1.00 0.00 H new ATOM 0 HB2 SER A 14 72.925 -17.186 -35.093 1.00 0.00 H new ATOM 0 HB3 SER A 14 74.458 -18.033 -35.045 1.00 0.00 H new ATOM 0 HG SER A 14 73.032 -18.702 -33.326 1.00 0.00 H new ATOM 217 N LYS A 15 76.840 -16.825 -34.351 1.00 0.00 N ATOM 218 CA LYS A 15 78.154 -17.105 -33.785 1.00 0.00 C ATOM 219 C LYS A 15 79.037 -15.865 -33.848 1.00 0.00 C ATOM 220 O LYS A 15 79.771 -15.564 -32.906 1.00 0.00 O ATOM 221 CB LYS A 15 78.821 -18.249 -34.552 1.00 0.00 C ATOM 222 CG LYS A 15 77.853 -19.428 -34.659 1.00 0.00 C ATOM 223 CD LYS A 15 77.572 -19.986 -33.262 1.00 0.00 C ATOM 224 CE LYS A 15 77.015 -21.405 -33.381 1.00 0.00 C ATOM 225 NZ LYS A 15 76.638 -21.906 -32.029 1.00 0.00 N ATOM 0 H LYS A 15 76.722 -17.122 -35.320 1.00 0.00 H new ATOM 0 HA LYS A 15 78.026 -17.395 -32.742 1.00 0.00 H new ATOM 0 HB2 LYS A 15 79.111 -17.912 -35.547 1.00 0.00 H new ATOM 0 HB3 LYS A 15 79.733 -18.559 -34.042 1.00 0.00 H new ATOM 0 HG2 LYS A 15 76.923 -19.107 -35.128 1.00 0.00 H new ATOM 0 HG3 LYS A 15 78.278 -20.205 -35.294 1.00 0.00 H new ATOM 0 HD2 LYS A 15 78.488 -19.992 -32.670 1.00 0.00 H new ATOM 0 HD3 LYS A 15 76.860 -19.347 -32.740 1.00 0.00 H new ATOM 0 HE2 LYS A 15 76.146 -21.412 -34.038 1.00 0.00 H new ATOM 0 HE3 LYS A 15 77.759 -22.063 -33.830 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 76.259 -22.871 -32.110 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 77.477 -21.914 -31.415 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 75.914 -21.283 -31.617 1.00 0.00 H new ATOM 239 N CYS A 16 78.960 -15.146 -34.963 1.00 0.00 N ATOM 240 CA CYS A 16 79.793 -13.965 -35.159 1.00 0.00 C ATOM 241 C CYS A 16 79.663 -13.014 -33.974 1.00 0.00 C ATOM 242 O CYS A 16 80.344 -11.991 -33.910 1.00 0.00 O ATOM 243 CB CYS A 16 79.382 -13.244 -36.444 1.00 0.00 C ATOM 244 SG CYS A 16 80.433 -11.790 -36.682 1.00 0.00 S ATOM 0 H CYS A 16 78.334 -15.358 -35.740 1.00 0.00 H new ATOM 0 HA CYS A 16 80.832 -14.285 -35.239 1.00 0.00 H new ATOM 0 HB2 CYS A 16 79.475 -13.917 -37.297 1.00 0.00 H new ATOM 0 HB3 CYS A 16 78.336 -12.944 -36.387 1.00 0.00 H new ATOM 249 N GLN A 17 78.783 -13.358 -33.039 1.00 0.00 N ATOM 250 CA GLN A 17 78.583 -12.533 -31.853 1.00 0.00 C ATOM 251 C GLN A 17 79.901 -12.334 -31.113 1.00 0.00 C ATOM 252 O GLN A 17 80.083 -11.345 -30.403 1.00 0.00 O ATOM 253 CB GLN A 17 77.566 -13.194 -30.922 1.00 0.00 C ATOM 254 CG GLN A 17 76.187 -13.192 -31.585 1.00 0.00 C ATOM 255 CD GLN A 17 75.634 -11.772 -31.634 1.00 0.00 C ATOM 256 OE1 GLN A 17 75.926 -10.962 -30.754 1.00 0.00 O ATOM 257 NE2 GLN A 17 74.847 -11.422 -32.613 1.00 0.00 N ATOM 0 H GLN A 17 78.202 -14.195 -33.078 1.00 0.00 H new ATOM 0 HA GLN A 17 78.206 -11.560 -32.168 1.00 0.00 H new ATOM 0 HB2 GLN A 17 77.872 -14.216 -30.699 1.00 0.00 H new ATOM 0 HB3 GLN A 17 77.525 -12.659 -29.973 1.00 0.00 H new ATOM 0 HG2 GLN A 17 76.259 -13.598 -32.594 1.00 0.00 H new ATOM 0 HG3 GLN A 17 75.506 -13.837 -31.029 1.00 0.00 H new ATOM 0 HE21 GLN A 17 74.607 -12.096 -33.340 1.00 0.00 H new ATOM 0 HE22 GLN A 17 74.471 -10.475 -32.651 1.00 0.00 H new ATOM 266 N LEU A 18 80.818 -13.281 -31.284 1.00 0.00 N ATOM 267 CA LEU A 18 82.132 -13.181 -30.660 1.00 0.00 C ATOM 268 C LEU A 18 83.232 -13.272 -31.712 1.00 0.00 C ATOM 269 O LEU A 18 83.440 -14.324 -32.317 1.00 0.00 O ATOM 270 CB LEU A 18 82.311 -14.303 -29.636 1.00 0.00 C ATOM 271 CG LEU A 18 81.178 -14.245 -28.610 1.00 0.00 C ATOM 272 CD1 LEU A 18 80.914 -15.648 -28.061 1.00 0.00 C ATOM 273 CD2 LEU A 18 81.578 -13.317 -27.462 1.00 0.00 C ATOM 0 H LEU A 18 80.677 -14.121 -31.846 1.00 0.00 H new ATOM 0 HA LEU A 18 82.202 -12.216 -30.158 1.00 0.00 H new ATOM 0 HB2 LEU A 18 82.312 -15.271 -30.138 1.00 0.00 H new ATOM 0 HB3 LEU A 18 83.274 -14.203 -29.136 1.00 0.00 H new ATOM 0 HG LEU A 18 80.275 -13.866 -29.088 1.00 0.00 H new ATOM 0 HD11 LEU A 18 80.107 -15.607 -27.330 1.00 0.00 H new ATOM 0 HD12 LEU A 18 80.630 -16.311 -28.878 1.00 0.00 H new ATOM 0 HD13 LEU A 18 81.817 -16.028 -27.583 1.00 0.00 H new ATOM 0 HD21 LEU A 18 80.771 -13.275 -26.730 1.00 0.00 H new ATOM 0 HD22 LEU A 18 82.481 -13.697 -26.985 1.00 0.00 H new ATOM 0 HD23 LEU A 18 81.767 -12.317 -27.852 1.00 0.00 H new ATOM 285 N ALA A 19 83.934 -12.165 -31.927 1.00 0.00 N ATOM 286 CA ALA A 19 84.990 -12.125 -32.933 1.00 0.00 C ATOM 287 C ALA A 19 85.899 -13.343 -32.801 1.00 0.00 C ATOM 288 O ALA A 19 86.702 -13.629 -33.688 1.00 0.00 O ATOM 289 CB ALA A 19 85.817 -10.848 -32.774 1.00 0.00 C ATOM 0 H ALA A 19 83.793 -11.290 -31.423 1.00 0.00 H new ATOM 0 HA ALA A 19 84.527 -12.135 -33.920 1.00 0.00 H new ATOM 0 HB1 ALA A 19 86.603 -10.827 -33.529 1.00 0.00 H new ATOM 0 HB2 ALA A 19 85.171 -9.979 -32.898 1.00 0.00 H new ATOM 0 HB3 ALA A 19 86.267 -10.827 -31.781 1.00 0.00 H new ATOM 295 N ASN A 20 85.765 -14.057 -31.687 1.00 0.00 N ATOM 296 CA ASN A 20 86.588 -15.236 -31.445 1.00 0.00 C ATOM 297 C ASN A 20 85.950 -16.474 -32.067 1.00 0.00 C ATOM 298 O ASN A 20 86.647 -17.397 -32.489 1.00 0.00 O ATOM 299 CB ASN A 20 86.761 -15.451 -29.940 1.00 0.00 C ATOM 300 CG ASN A 20 87.219 -14.157 -29.276 1.00 0.00 C ATOM 301 OD1 ASN A 20 88.060 -13.442 -29.823 1.00 0.00 O ATOM 302 ND2 ASN A 20 86.714 -13.811 -28.124 1.00 0.00 N ATOM 0 H ASN A 20 85.100 -13.842 -30.944 1.00 0.00 H new ATOM 0 HA ASN A 20 87.563 -15.075 -31.905 1.00 0.00 H new ATOM 0 HB2 ASN A 20 85.819 -15.781 -29.501 1.00 0.00 H new ATOM 0 HB3 ASN A 20 87.491 -16.240 -29.759 1.00 0.00 H new ATOM 0 HD21 ASN A 20 87.015 -12.947 -27.674 1.00 0.00 H new ATOM 0 HD22 ASN A 20 86.018 -14.405 -27.673 1.00 0.00 H new ATOM 309 N GLN A 21 84.623 -16.485 -32.123 1.00 0.00 N ATOM 310 CA GLN A 21 83.901 -17.634 -32.657 1.00 0.00 C ATOM 311 C GLN A 21 84.220 -17.827 -34.136 1.00 0.00 C ATOM 312 O GLN A 21 84.534 -18.935 -34.574 1.00 0.00 O ATOM 313 CB GLN A 21 82.393 -17.433 -32.481 1.00 0.00 C ATOM 314 CG GLN A 21 81.735 -18.774 -32.153 1.00 0.00 C ATOM 315 CD GLN A 21 82.044 -19.789 -33.248 1.00 0.00 C ATOM 316 OE1 GLN A 21 82.160 -19.424 -34.418 1.00 0.00 O ATOM 317 NE2 GLN A 21 82.186 -21.049 -32.938 1.00 0.00 N ATOM 0 H GLN A 21 84.029 -15.718 -31.808 1.00 0.00 H new ATOM 0 HA GLN A 21 84.215 -18.522 -32.109 1.00 0.00 H new ATOM 0 HB2 GLN A 21 82.202 -16.717 -31.682 1.00 0.00 H new ATOM 0 HB3 GLN A 21 81.962 -17.017 -33.392 1.00 0.00 H new ATOM 0 HG2 GLN A 21 82.098 -19.141 -31.193 1.00 0.00 H new ATOM 0 HG3 GLN A 21 80.657 -18.646 -32.059 1.00 0.00 H new ATOM 0 HE21 GLN A 21 82.090 -21.350 -31.968 1.00 0.00 H new ATOM 0 HE22 GLN A 21 82.393 -21.733 -33.666 1.00 0.00 H new ATOM 326 N CYS A 22 84.140 -16.743 -34.901 1.00 0.00 N ATOM 327 CA CYS A 22 84.401 -16.810 -36.334 1.00 0.00 C ATOM 328 C CYS A 22 85.710 -17.544 -36.606 1.00 0.00 C ATOM 329 O CYS A 22 85.722 -18.597 -37.243 1.00 0.00 O ATOM 330 CB CYS A 22 84.473 -15.399 -36.919 1.00 0.00 C ATOM 331 SG CYS A 22 82.805 -14.704 -37.029 1.00 0.00 S ATOM 0 H CYS A 22 83.898 -15.814 -34.556 1.00 0.00 H new ATOM 0 HA CYS A 22 83.586 -17.357 -36.808 1.00 0.00 H new ATOM 0 HB2 CYS A 22 85.101 -14.766 -36.293 1.00 0.00 H new ATOM 0 HB3 CYS A 22 84.933 -15.427 -37.907 1.00 0.00 H new ATOM 336 N ASN A 23 86.811 -16.980 -36.119 1.00 0.00 N ATOM 337 CA ASN A 23 88.122 -17.586 -36.321 1.00 0.00 C ATOM 338 C ASN A 23 88.071 -19.083 -36.033 1.00 0.00 C ATOM 339 O ASN A 23 88.521 -19.896 -36.841 1.00 0.00 O ATOM 340 CB ASN A 23 89.150 -16.923 -35.403 1.00 0.00 C ATOM 341 CG ASN A 23 88.769 -15.467 -35.159 1.00 0.00 C ATOM 342 OD1 ASN A 23 87.999 -14.889 -35.925 1.00 0.00 O ATOM 343 ND2 ASN A 23 89.266 -14.836 -34.130 1.00 0.00 N ATOM 0 H ASN A 23 86.822 -16.111 -35.586 1.00 0.00 H new ATOM 0 HA ASN A 23 88.414 -17.438 -37.361 1.00 0.00 H new ATOM 0 HB2 ASN A 23 89.201 -17.458 -34.455 1.00 0.00 H new ATOM 0 HB3 ASN A 23 90.141 -16.978 -35.854 1.00 0.00 H new ATOM 0 HD21 ASN A 23 89.016 -13.862 -33.960 1.00 0.00 H new ATOM 0 HD22 ASN A 23 89.904 -15.317 -33.496 1.00 0.00 H new ATOM 350 N TYR A 24 87.522 -19.441 -34.878 1.00 0.00 N ATOM 351 CA TYR A 24 87.404 -20.845 -34.501 1.00 0.00 C ATOM 352 C TYR A 24 86.716 -21.642 -35.604 1.00 0.00 C ATOM 353 O TYR A 24 87.295 -22.575 -36.161 1.00 0.00 O ATOM 354 CB TYR A 24 86.605 -20.971 -33.202 1.00 0.00 C ATOM 355 CG TYR A 24 87.549 -20.941 -32.024 1.00 0.00 C ATOM 356 CD1 TYR A 24 88.378 -19.832 -31.818 1.00 0.00 C ATOM 357 CD2 TYR A 24 87.597 -22.025 -31.138 1.00 0.00 C ATOM 358 CE1 TYR A 24 89.254 -19.805 -30.726 1.00 0.00 C ATOM 359 CE2 TYR A 24 88.472 -21.998 -30.046 1.00 0.00 C ATOM 360 CZ TYR A 24 89.301 -20.889 -29.840 1.00 0.00 C ATOM 361 OH TYR A 24 90.165 -20.862 -28.764 1.00 0.00 O ATOM 0 H TYR A 24 87.154 -18.784 -34.190 1.00 0.00 H new ATOM 0 HA TYR A 24 88.406 -21.247 -34.352 1.00 0.00 H new ATOM 0 HB2 TYR A 24 85.885 -20.156 -33.125 1.00 0.00 H new ATOM 0 HB3 TYR A 24 86.036 -21.901 -33.202 1.00 0.00 H new ATOM 0 HD1 TYR A 24 88.342 -18.997 -32.502 1.00 0.00 H new ATOM 0 HD2 TYR A 24 86.959 -22.882 -31.298 1.00 0.00 H new ATOM 0 HE1 TYR A 24 89.893 -18.949 -30.567 1.00 0.00 H new ATOM 0 HE2 TYR A 24 88.508 -22.833 -29.362 1.00 0.00 H new ATOM 0 HH TYR A 24 90.072 -21.690 -28.249 1.00 0.00 H new ATOM 371 N ASP A 25 85.480 -21.269 -35.915 1.00 0.00 N ATOM 372 CA ASP A 25 84.723 -21.955 -36.955 1.00 0.00 C ATOM 373 C ASP A 25 85.410 -21.801 -38.309 1.00 0.00 C ATOM 374 O ASP A 25 85.529 -22.763 -39.069 1.00 0.00 O ATOM 375 CB ASP A 25 83.306 -21.386 -37.033 1.00 0.00 C ATOM 376 CG ASP A 25 82.495 -21.839 -35.824 1.00 0.00 C ATOM 377 OD1 ASP A 25 82.986 -22.676 -35.086 1.00 0.00 O ATOM 378 OD2 ASP A 25 81.394 -21.341 -35.654 1.00 0.00 O ATOM 0 H ASP A 25 84.983 -20.500 -35.465 1.00 0.00 H new ATOM 0 HA ASP A 25 84.675 -23.014 -36.703 1.00 0.00 H new ATOM 0 HB2 ASP A 25 83.344 -20.297 -37.069 1.00 0.00 H new ATOM 0 HB3 ASP A 25 82.822 -21.718 -37.951 1.00 0.00 H new ATOM 383 N CYS A 26 85.859 -20.586 -38.605 1.00 0.00 N ATOM 384 CA CYS A 26 86.529 -20.317 -39.872 1.00 0.00 C ATOM 385 C CYS A 26 87.796 -21.157 -39.999 1.00 0.00 C ATOM 386 O CYS A 26 88.156 -21.592 -41.092 1.00 0.00 O ATOM 387 CB CYS A 26 86.887 -18.833 -39.968 1.00 0.00 C ATOM 388 SG CYS A 26 86.152 -18.131 -41.466 1.00 0.00 S ATOM 0 H CYS A 26 85.772 -19.777 -37.990 1.00 0.00 H new ATOM 0 HA CYS A 26 85.850 -20.581 -40.683 1.00 0.00 H new ATOM 0 HB2 CYS A 26 86.523 -18.302 -39.088 1.00 0.00 H new ATOM 0 HB3 CYS A 26 87.970 -18.710 -39.989 1.00 0.00 H new ATOM 393 N LYS A 27 88.467 -21.381 -38.874 1.00 0.00 N ATOM 394 CA LYS A 27 89.698 -22.164 -38.874 1.00 0.00 C ATOM 395 C LYS A 27 89.382 -23.656 -38.872 1.00 0.00 C ATOM 396 O LYS A 27 90.091 -24.452 -39.489 1.00 0.00 O ATOM 397 CB LYS A 27 90.539 -21.816 -37.644 1.00 0.00 C ATOM 398 CG LYS A 27 91.078 -20.391 -37.782 1.00 0.00 C ATOM 399 CD LYS A 27 91.391 -19.826 -36.394 1.00 0.00 C ATOM 400 CE LYS A 27 92.551 -20.608 -35.775 1.00 0.00 C ATOM 401 NZ LYS A 27 93.006 -19.920 -34.534 1.00 0.00 N ATOM 0 H LYS A 27 88.183 -21.035 -37.958 1.00 0.00 H new ATOM 0 HA LYS A 27 90.260 -21.924 -39.777 1.00 0.00 H new ATOM 0 HB2 LYS A 27 89.935 -21.902 -36.741 1.00 0.00 H new ATOM 0 HB3 LYS A 27 91.365 -22.520 -37.543 1.00 0.00 H new ATOM 0 HG2 LYS A 27 91.977 -20.389 -38.398 1.00 0.00 H new ATOM 0 HG3 LYS A 27 90.345 -19.761 -38.286 1.00 0.00 H new ATOM 0 HD2 LYS A 27 91.650 -18.770 -36.469 1.00 0.00 H new ATOM 0 HD3 LYS A 27 90.511 -19.894 -35.755 1.00 0.00 H new ATOM 0 HE2 LYS A 27 92.236 -21.626 -35.545 1.00 0.00 H new ATOM 0 HE3 LYS A 27 93.374 -20.682 -36.486 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 93.795 -20.451 -34.112 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 93.322 -18.957 -34.767 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 92.219 -19.872 -33.856 1.00 0.00 H new ATOM 415 N LEU A 28 88.314 -24.029 -38.174 1.00 0.00 N ATOM 416 CA LEU A 28 87.927 -25.432 -38.079 1.00 0.00 C ATOM 417 C LEU A 28 87.105 -25.845 -39.296 1.00 0.00 C ATOM 418 O LEU A 28 87.052 -27.021 -39.651 1.00 0.00 O ATOM 419 CB LEU A 28 87.112 -25.663 -36.805 1.00 0.00 C ATOM 420 CG LEU A 28 87.952 -25.279 -35.586 1.00 0.00 C ATOM 421 CD1 LEU A 28 87.028 -24.952 -34.412 1.00 0.00 C ATOM 422 CD2 LEU A 28 88.862 -26.448 -35.207 1.00 0.00 C ATOM 0 H LEU A 28 87.705 -23.385 -37.669 1.00 0.00 H new ATOM 0 HA LEU A 28 88.832 -26.038 -38.045 1.00 0.00 H new ATOM 0 HB2 LEU A 28 86.198 -25.069 -36.832 1.00 0.00 H new ATOM 0 HB3 LEU A 28 86.811 -26.708 -36.738 1.00 0.00 H new ATOM 0 HG LEU A 28 88.560 -24.406 -35.824 1.00 0.00 H new ATOM 0 HD11 LEU A 28 87.627 -24.678 -33.543 1.00 0.00 H new ATOM 0 HD12 LEU A 28 86.378 -24.120 -34.682 1.00 0.00 H new ATOM 0 HD13 LEU A 28 86.420 -25.825 -34.173 1.00 0.00 H new ATOM 0 HD21 LEU A 28 89.461 -26.176 -34.338 1.00 0.00 H new ATOM 0 HD22 LEU A 28 88.254 -27.320 -34.969 1.00 0.00 H new ATOM 0 HD23 LEU A 28 89.521 -26.682 -36.043 1.00 0.00 H new ATOM 434 N ASP A 29 86.466 -24.867 -39.930 1.00 0.00 N ATOM 435 CA ASP A 29 85.594 -25.148 -41.065 1.00 0.00 C ATOM 436 C ASP A 29 86.375 -25.065 -42.373 1.00 0.00 C ATOM 437 O ASP A 29 86.500 -26.053 -43.097 1.00 0.00 O ATOM 438 CB ASP A 29 84.437 -24.148 -41.097 1.00 0.00 C ATOM 439 CG ASP A 29 83.586 -24.295 -39.840 1.00 0.00 C ATOM 440 OD1 ASP A 29 83.785 -25.262 -39.123 1.00 0.00 O ATOM 441 OD2 ASP A 29 82.748 -23.438 -39.612 1.00 0.00 O ATOM 0 H ASP A 29 86.534 -23.881 -39.680 1.00 0.00 H new ATOM 0 HA ASP A 29 85.198 -26.157 -40.953 1.00 0.00 H new ATOM 0 HB2 ASP A 29 84.825 -23.132 -41.166 1.00 0.00 H new ATOM 0 HB3 ASP A 29 83.824 -24.316 -41.983 1.00 0.00 H new ATOM 446 N LYS A 30 86.901 -23.881 -42.668 1.00 0.00 N ATOM 447 CA LYS A 30 87.597 -23.658 -43.930 1.00 0.00 C ATOM 448 C LYS A 30 89.092 -23.471 -43.689 1.00 0.00 C ATOM 449 O LYS A 30 89.868 -23.322 -44.632 1.00 0.00 O ATOM 450 CB LYS A 30 87.030 -22.421 -44.628 1.00 0.00 C ATOM 451 CG LYS A 30 85.509 -22.393 -44.466 1.00 0.00 C ATOM 452 CD LYS A 30 84.901 -23.623 -45.144 1.00 0.00 C ATOM 453 CE LYS A 30 83.381 -23.468 -45.214 1.00 0.00 C ATOM 454 NZ LYS A 30 83.029 -22.471 -46.265 1.00 0.00 N ATOM 0 H LYS A 30 86.859 -23.066 -42.055 1.00 0.00 H new ATOM 0 HA LYS A 30 87.449 -24.531 -44.566 1.00 0.00 H new ATOM 0 HB2 LYS A 30 87.468 -21.518 -44.203 1.00 0.00 H new ATOM 0 HB3 LYS A 30 87.293 -22.435 -45.686 1.00 0.00 H new ATOM 0 HG2 LYS A 30 85.245 -22.380 -43.408 1.00 0.00 H new ATOM 0 HG3 LYS A 30 85.102 -21.483 -44.907 1.00 0.00 H new ATOM 0 HD2 LYS A 30 85.312 -23.739 -46.147 1.00 0.00 H new ATOM 0 HD3 LYS A 30 85.160 -24.524 -44.587 1.00 0.00 H new ATOM 0 HE2 LYS A 30 82.917 -24.428 -45.439 1.00 0.00 H new ATOM 0 HE3 LYS A 30 82.993 -23.146 -44.248 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 82.000 -22.477 -46.419 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 83.328 -21.523 -45.958 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 83.513 -22.716 -47.152 1.00 0.00 H new ATOM 468 N HIS A 31 89.487 -23.481 -42.420 1.00 0.00 N ATOM 469 CA HIS A 31 90.893 -23.321 -42.066 1.00 0.00 C ATOM 470 C HIS A 31 91.384 -21.924 -42.427 1.00 0.00 C ATOM 471 O HIS A 31 92.313 -21.767 -43.219 1.00 0.00 O ATOM 472 CB HIS A 31 91.739 -24.365 -42.799 1.00 0.00 C ATOM 473 CG HIS A 31 91.021 -25.686 -42.794 1.00 0.00 C ATOM 474 ND1 HIS A 31 91.175 -26.608 -41.771 1.00 0.00 N ATOM 475 CD2 HIS A 31 90.141 -26.255 -43.681 1.00 0.00 C ATOM 476 CE1 HIS A 31 90.407 -27.673 -42.064 1.00 0.00 C ATOM 477 NE2 HIS A 31 89.755 -27.510 -43.219 1.00 0.00 N ATOM 0 H HIS A 31 88.859 -23.597 -41.625 1.00 0.00 H new ATOM 0 HA HIS A 31 90.993 -23.461 -40.990 1.00 0.00 H new ATOM 0 HB2 HIS A 31 91.924 -24.044 -43.824 1.00 0.00 H new ATOM 0 HB3 HIS A 31 92.711 -24.465 -42.316 1.00 0.00 H new ATOM 0 HD2 HIS A 31 89.800 -25.798 -44.598 1.00 0.00 H new ATOM 0 HE1 HIS A 31 90.327 -28.552 -41.442 1.00 0.00 H new ATOM 0 HE2 HIS A 31 89.113 -28.164 -43.666 1.00 0.00 H new ATOM 485 N ALA A 32 90.754 -20.910 -41.841 1.00 0.00 N ATOM 486 CA ALA A 32 91.139 -19.529 -42.107 1.00 0.00 C ATOM 487 C ALA A 32 92.259 -19.095 -41.166 1.00 0.00 C ATOM 488 O ALA A 32 92.916 -19.929 -40.542 1.00 0.00 O ATOM 489 CB ALA A 32 89.933 -18.605 -41.926 1.00 0.00 C ATOM 0 H ALA A 32 89.981 -21.017 -41.184 1.00 0.00 H new ATOM 0 HA ALA A 32 91.496 -19.463 -43.135 1.00 0.00 H new ATOM 0 HB1 ALA A 32 90.230 -17.576 -42.127 1.00 0.00 H new ATOM 0 HB2 ALA A 32 89.144 -18.897 -42.619 1.00 0.00 H new ATOM 0 HB3 ALA A 32 89.565 -18.683 -40.903 1.00 0.00 H new ATOM 495 N ARG A 33 92.471 -17.787 -41.071 1.00 0.00 N ATOM 496 CA ARG A 33 93.521 -17.254 -40.210 1.00 0.00 C ATOM 497 C ARG A 33 92.918 -16.417 -39.087 1.00 0.00 C ATOM 498 O ARG A 33 93.222 -16.626 -37.912 1.00 0.00 O ATOM 499 CB ARG A 33 94.483 -16.393 -41.031 1.00 0.00 C ATOM 500 CG ARG A 33 95.140 -17.253 -42.113 1.00 0.00 C ATOM 501 CD ARG A 33 96.171 -16.417 -42.873 1.00 0.00 C ATOM 502 NE ARG A 33 96.644 -17.143 -44.045 1.00 0.00 N ATOM 503 CZ ARG A 33 97.399 -18.230 -43.922 1.00 0.00 C ATOM 504 NH1 ARG A 33 97.731 -18.664 -42.737 1.00 0.00 N ATOM 505 NH2 ARG A 33 97.809 -18.863 -44.987 1.00 0.00 N ATOM 0 H ARG A 33 91.935 -17.081 -41.575 1.00 0.00 H new ATOM 0 HA ARG A 33 94.066 -18.090 -39.772 1.00 0.00 H new ATOM 0 HB2 ARG A 33 93.945 -15.563 -41.488 1.00 0.00 H new ATOM 0 HB3 ARG A 33 95.245 -15.961 -40.382 1.00 0.00 H new ATOM 0 HG2 ARG A 33 95.621 -18.120 -41.661 1.00 0.00 H new ATOM 0 HG3 ARG A 33 94.384 -17.631 -42.801 1.00 0.00 H new ATOM 0 HD2 ARG A 33 95.728 -15.469 -43.178 1.00 0.00 H new ATOM 0 HD3 ARG A 33 97.011 -16.180 -42.220 1.00 0.00 H new ATOM 0 HE ARG A 33 96.391 -16.811 -44.976 1.00 0.00 H new ATOM 0 HH11 ARG A 33 97.411 -18.169 -41.904 1.00 0.00 H new ATOM 0 HH12 ARG A 33 98.310 -19.498 -42.643 1.00 0.00 H new ATOM 0 HH21 ARG A 33 97.550 -18.524 -45.913 1.00 0.00 H new ATOM 0 HH22 ARG A 33 98.388 -19.697 -44.893 1.00 0.00 H new ATOM 519 N SER A 34 92.064 -15.468 -39.455 1.00 0.00 N ATOM 520 CA SER A 34 91.465 -14.571 -38.473 1.00 0.00 C ATOM 521 C SER A 34 89.943 -14.634 -38.548 1.00 0.00 C ATOM 522 O SER A 34 89.246 -14.050 -37.717 1.00 0.00 O ATOM 523 CB SER A 34 91.931 -13.137 -38.723 1.00 0.00 C ATOM 524 OG SER A 34 93.260 -12.985 -38.242 1.00 0.00 O ATOM 0 H SER A 34 91.773 -15.300 -40.418 1.00 0.00 H new ATOM 0 HA SER A 34 91.782 -14.887 -37.479 1.00 0.00 H new ATOM 0 HB2 SER A 34 91.889 -12.909 -39.788 1.00 0.00 H new ATOM 0 HB3 SER A 34 91.267 -12.434 -38.220 1.00 0.00 H new ATOM 0 HG SER A 34 93.563 -12.067 -38.402 1.00 0.00 H new ATOM 530 N GLY A 35 89.433 -15.344 -39.549 1.00 0.00 N ATOM 531 CA GLY A 35 87.991 -15.469 -39.727 1.00 0.00 C ATOM 532 C GLY A 35 87.282 -14.175 -39.342 1.00 0.00 C ATOM 533 O GLY A 35 86.538 -14.131 -38.364 1.00 0.00 O ATOM 0 H GLY A 35 89.992 -15.838 -40.245 1.00 0.00 H new ATOM 0 HA2 GLY A 35 87.769 -15.715 -40.765 1.00 0.00 H new ATOM 0 HA3 GLY A 35 87.615 -16.290 -39.117 1.00 0.00 H new ATOM 537 N GLU A 36 87.520 -13.123 -40.119 1.00 0.00 N ATOM 538 CA GLU A 36 86.932 -11.822 -39.826 1.00 0.00 C ATOM 539 C GLU A 36 85.496 -11.755 -40.335 1.00 0.00 C ATOM 540 O GLU A 36 85.157 -12.367 -41.348 1.00 0.00 O ATOM 541 CB GLU A 36 87.759 -10.713 -40.481 1.00 0.00 C ATOM 542 CG GLU A 36 88.922 -10.333 -39.563 1.00 0.00 C ATOM 543 CD GLU A 36 88.397 -9.600 -38.333 1.00 0.00 C ATOM 544 OE1 GLU A 36 87.276 -9.121 -38.386 1.00 0.00 O ATOM 545 OE2 GLU A 36 89.125 -9.528 -37.356 1.00 0.00 O ATOM 0 H GLU A 36 88.111 -13.146 -40.950 1.00 0.00 H new ATOM 0 HA GLU A 36 86.930 -11.683 -38.745 1.00 0.00 H new ATOM 0 HB2 GLU A 36 88.138 -11.049 -41.446 1.00 0.00 H new ATOM 0 HB3 GLU A 36 87.132 -9.842 -40.671 1.00 0.00 H new ATOM 0 HG2 GLU A 36 89.464 -11.229 -39.259 1.00 0.00 H new ATOM 0 HG3 GLU A 36 89.628 -9.700 -40.100 1.00 0.00 H new ATOM 552 N CYS A 37 84.656 -11.010 -39.624 1.00 0.00 N ATOM 553 CA CYS A 37 83.257 -10.872 -40.012 1.00 0.00 C ATOM 554 C CYS A 37 83.059 -9.623 -40.866 1.00 0.00 C ATOM 555 O CYS A 37 83.831 -8.669 -40.777 1.00 0.00 O ATOM 556 CB CYS A 37 82.318 -10.707 -38.785 1.00 0.00 C ATOM 557 SG CYS A 37 81.621 -12.286 -38.239 1.00 0.00 S ATOM 0 H CYS A 37 84.917 -10.496 -38.782 1.00 0.00 H new ATOM 0 HA CYS A 37 83.010 -11.783 -40.557 1.00 0.00 H new ATOM 0 HB2 CYS A 37 82.873 -10.253 -37.964 1.00 0.00 H new ATOM 0 HB3 CYS A 37 81.508 -10.023 -39.039 1.00 0.00 H new ATOM 562 N PHE A 38 82.019 -9.638 -41.694 1.00 0.00 N ATOM 563 CA PHE A 38 81.705 -8.486 -42.533 1.00 0.00 C ATOM 564 C PHE A 38 80.200 -8.380 -42.754 1.00 0.00 C ATOM 565 O PHE A 38 79.446 -9.290 -42.410 1.00 0.00 O ATOM 566 CB PHE A 38 82.413 -8.616 -43.882 1.00 0.00 C ATOM 567 CG PHE A 38 83.908 -8.565 -43.674 1.00 0.00 C ATOM 568 CD1 PHE A 38 84.600 -9.719 -43.285 1.00 0.00 C ATOM 569 CD2 PHE A 38 84.603 -7.365 -43.868 1.00 0.00 C ATOM 570 CE1 PHE A 38 85.986 -9.672 -43.092 1.00 0.00 C ATOM 571 CE2 PHE A 38 85.989 -7.319 -43.676 1.00 0.00 C ATOM 572 CZ PHE A 38 86.680 -8.472 -43.287 1.00 0.00 C ATOM 0 H PHE A 38 81.384 -10.429 -41.802 1.00 0.00 H new ATOM 0 HA PHE A 38 82.051 -7.585 -42.027 1.00 0.00 H new ATOM 0 HB2 PHE A 38 82.134 -9.554 -44.362 1.00 0.00 H new ATOM 0 HB3 PHE A 38 82.100 -7.812 -44.548 1.00 0.00 H new ATOM 0 HD1 PHE A 38 84.065 -10.645 -43.134 1.00 0.00 H new ATOM 0 HD2 PHE A 38 84.070 -6.474 -44.166 1.00 0.00 H new ATOM 0 HE1 PHE A 38 86.520 -10.562 -42.793 1.00 0.00 H new ATOM 0 HE2 PHE A 38 86.525 -6.394 -43.828 1.00 0.00 H new ATOM 0 HZ PHE A 38 87.749 -8.436 -43.137 1.00 0.00 H new ATOM 582 N TYR A 39 79.769 -7.263 -43.331 1.00 0.00 N ATOM 583 CA TYR A 39 78.351 -7.049 -43.593 1.00 0.00 C ATOM 584 C TYR A 39 78.012 -7.414 -45.035 1.00 0.00 C ATOM 585 O TYR A 39 78.653 -6.941 -45.973 1.00 0.00 O ATOM 586 CB TYR A 39 77.987 -5.585 -43.337 1.00 0.00 C ATOM 587 CG TYR A 39 77.956 -5.328 -41.849 1.00 0.00 C ATOM 588 CD1 TYR A 39 76.769 -5.515 -41.132 1.00 0.00 C ATOM 589 CD2 TYR A 39 79.114 -4.903 -41.187 1.00 0.00 C ATOM 590 CE1 TYR A 39 76.740 -5.277 -39.752 1.00 0.00 C ATOM 591 CE2 TYR A 39 79.085 -4.666 -39.808 1.00 0.00 C ATOM 592 CZ TYR A 39 77.898 -4.852 -39.090 1.00 0.00 C ATOM 593 OH TYR A 39 77.869 -4.618 -37.731 1.00 0.00 O ATOM 0 H TYR A 39 80.376 -6.498 -43.624 1.00 0.00 H new ATOM 0 HA TYR A 39 77.777 -7.689 -42.923 1.00 0.00 H new ATOM 0 HB2 TYR A 39 78.714 -4.929 -43.815 1.00 0.00 H new ATOM 0 HB3 TYR A 39 77.016 -5.358 -43.777 1.00 0.00 H new ATOM 0 HD1 TYR A 39 75.875 -5.843 -41.643 1.00 0.00 H new ATOM 0 HD2 TYR A 39 80.030 -4.758 -41.741 1.00 0.00 H new ATOM 0 HE1 TYR A 39 75.824 -5.421 -39.198 1.00 0.00 H new ATOM 0 HE2 TYR A 39 79.979 -4.339 -39.298 1.00 0.00 H new ATOM 0 HH TYR A 39 78.756 -4.330 -37.430 1.00 0.00 H new ATOM 603 N ASP A 40 77.001 -8.261 -45.203 1.00 0.00 N ATOM 604 CA ASP A 40 76.581 -8.680 -46.535 1.00 0.00 C ATOM 605 C ASP A 40 75.303 -7.957 -46.948 1.00 0.00 C ATOM 606 O ASP A 40 74.978 -6.896 -46.414 1.00 0.00 O ATOM 607 CB ASP A 40 76.345 -10.191 -46.556 1.00 0.00 C ATOM 608 CG ASP A 40 77.664 -10.929 -46.356 1.00 0.00 C ATOM 609 OD1 ASP A 40 78.665 -10.264 -46.141 1.00 0.00 O ATOM 610 OD2 ASP A 40 77.655 -12.146 -46.421 1.00 0.00 O ATOM 0 H ASP A 40 76.461 -8.668 -44.439 1.00 0.00 H new ATOM 0 HA ASP A 40 77.371 -8.426 -47.241 1.00 0.00 H new ATOM 0 HB2 ASP A 40 75.641 -10.468 -45.771 1.00 0.00 H new ATOM 0 HB3 ASP A 40 75.896 -10.484 -47.505 1.00 0.00 H new ATOM 615 N GLU A 41 74.582 -8.539 -47.900 1.00 0.00 N ATOM 616 CA GLU A 41 73.344 -7.937 -48.384 1.00 0.00 C ATOM 617 C GLU A 41 72.278 -7.956 -47.292 1.00 0.00 C ATOM 618 O GLU A 41 71.311 -7.195 -47.343 1.00 0.00 O ATOM 619 CB GLU A 41 72.836 -8.701 -49.608 1.00 0.00 C ATOM 620 CG GLU A 41 73.869 -8.608 -50.732 1.00 0.00 C ATOM 621 CD GLU A 41 74.006 -7.163 -51.198 1.00 0.00 C ATOM 622 OE1 GLU A 41 73.114 -6.382 -50.913 1.00 0.00 O ATOM 623 OE2 GLU A 41 75.003 -6.858 -51.833 1.00 0.00 O ATOM 0 H GLU A 41 74.830 -9.420 -48.349 1.00 0.00 H new ATOM 0 HA GLU A 41 73.548 -6.903 -48.660 1.00 0.00 H new ATOM 0 HB2 GLU A 41 72.657 -9.745 -49.350 1.00 0.00 H new ATOM 0 HB3 GLU A 41 71.884 -8.286 -49.939 1.00 0.00 H new ATOM 0 HG2 GLU A 41 74.833 -8.979 -50.383 1.00 0.00 H new ATOM 0 HG3 GLU A 41 73.568 -9.241 -51.567 1.00 0.00 H new ATOM 630 N LYS A 42 72.462 -8.828 -46.307 1.00 0.00 N ATOM 631 CA LYS A 42 71.507 -8.940 -45.210 1.00 0.00 C ATOM 632 C LYS A 42 72.012 -8.189 -43.982 1.00 0.00 C ATOM 633 O LYS A 42 71.582 -8.455 -42.859 1.00 0.00 O ATOM 634 CB LYS A 42 71.287 -10.411 -44.856 1.00 0.00 C ATOM 635 CG LYS A 42 70.775 -11.162 -46.087 1.00 0.00 C ATOM 636 CD LYS A 42 70.327 -12.567 -45.679 1.00 0.00 C ATOM 637 CE LYS A 42 71.524 -13.346 -45.131 1.00 0.00 C ATOM 638 NZ LYS A 42 71.245 -14.807 -45.212 1.00 0.00 N ATOM 0 H LYS A 42 73.257 -9.463 -46.245 1.00 0.00 H new ATOM 0 HA LYS A 42 70.563 -8.499 -45.529 1.00 0.00 H new ATOM 0 HB2 LYS A 42 72.219 -10.855 -44.508 1.00 0.00 H new ATOM 0 HB3 LYS A 42 70.569 -10.496 -44.040 1.00 0.00 H new ATOM 0 HG2 LYS A 42 69.943 -10.620 -46.537 1.00 0.00 H new ATOM 0 HG3 LYS A 42 71.560 -11.224 -46.841 1.00 0.00 H new ATOM 0 HD2 LYS A 42 69.543 -12.505 -44.924 1.00 0.00 H new ATOM 0 HD3 LYS A 42 69.902 -13.088 -46.537 1.00 0.00 H new ATOM 0 HE2 LYS A 42 72.421 -13.104 -45.701 1.00 0.00 H new ATOM 0 HE3 LYS A 42 71.716 -13.058 -44.097 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 72.059 -15.337 -44.840 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 70.399 -15.031 -44.650 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 71.082 -15.075 -46.204 1.00 0.00 H new ATOM 652 N ARG A 43 72.927 -7.251 -44.202 1.00 0.00 N ATOM 653 CA ARG A 43 73.496 -6.479 -43.103 1.00 0.00 C ATOM 654 C ARG A 43 73.820 -7.388 -41.923 1.00 0.00 C ATOM 655 O ARG A 43 73.957 -6.925 -40.790 1.00 0.00 O ATOM 656 CB ARG A 43 72.509 -5.397 -42.661 1.00 0.00 C ATOM 657 CG ARG A 43 72.604 -4.201 -43.610 1.00 0.00 C ATOM 658 CD ARG A 43 71.457 -3.229 -43.324 1.00 0.00 C ATOM 659 NE ARG A 43 71.434 -2.168 -44.324 1.00 0.00 N ATOM 660 CZ ARG A 43 70.718 -1.064 -44.136 1.00 0.00 C ATOM 661 NH1 ARG A 43 70.020 -0.916 -43.044 1.00 0.00 N ATOM 662 NH2 ARG A 43 70.713 -0.127 -45.044 1.00 0.00 N ATOM 0 H ARG A 43 73.289 -7.008 -45.124 1.00 0.00 H new ATOM 0 HA ARG A 43 74.417 -6.011 -43.450 1.00 0.00 H new ATOM 0 HB2 ARG A 43 71.494 -5.794 -42.660 1.00 0.00 H new ATOM 0 HB3 ARG A 43 72.730 -5.084 -41.641 1.00 0.00 H new ATOM 0 HG2 ARG A 43 73.562 -3.697 -43.482 1.00 0.00 H new ATOM 0 HG3 ARG A 43 72.558 -4.540 -44.645 1.00 0.00 H new ATOM 0 HD2 ARG A 43 70.507 -3.764 -43.329 1.00 0.00 H new ATOM 0 HD3 ARG A 43 71.575 -2.799 -42.329 1.00 0.00 H new ATOM 0 HE ARG A 43 71.976 -2.275 -45.181 1.00 0.00 H new ATOM 0 HH11 ARG A 43 70.023 -1.648 -42.333 1.00 0.00 H new ATOM 0 HH12 ARG A 43 69.471 -0.068 -42.901 1.00 0.00 H new ATOM 0 HH21 ARG A 43 71.259 -0.242 -45.898 1.00 0.00 H new ATOM 0 HH22 ARG A 43 70.164 0.720 -44.900 1.00 0.00 H new ATOM 676 N ASN A 44 73.943 -8.683 -42.195 1.00 0.00 N ATOM 677 CA ASN A 44 74.262 -9.648 -41.148 1.00 0.00 C ATOM 678 C ASN A 44 75.765 -9.901 -41.093 1.00 0.00 C ATOM 679 O ASN A 44 76.460 -9.787 -42.102 1.00 0.00 O ATOM 680 CB ASN A 44 73.528 -10.964 -41.412 1.00 0.00 C ATOM 681 CG ASN A 44 72.062 -10.834 -41.014 1.00 0.00 C ATOM 682 OD1 ASN A 44 71.626 -9.763 -40.593 1.00 0.00 O ATOM 683 ND2 ASN A 44 71.271 -11.865 -41.124 1.00 0.00 N ATOM 0 H ASN A 44 73.828 -9.087 -43.125 1.00 0.00 H new ATOM 0 HA ASN A 44 73.940 -9.239 -40.190 1.00 0.00 H new ATOM 0 HB2 ASN A 44 73.605 -11.227 -42.467 1.00 0.00 H new ATOM 0 HB3 ASN A 44 73.996 -11.770 -40.848 1.00 0.00 H new ATOM 0 HD21 ASN A 44 70.289 -11.785 -40.861 1.00 0.00 H new ATOM 0 HD22 ASN A 44 71.635 -12.752 -41.473 1.00 0.00 H new ATOM 690 N LEU A 45 76.259 -10.245 -39.908 1.00 0.00 N ATOM 691 CA LEU A 45 77.678 -10.532 -39.737 1.00 0.00 C ATOM 692 C LEU A 45 77.990 -11.967 -40.150 1.00 0.00 C ATOM 693 O LEU A 45 77.444 -12.917 -39.587 1.00 0.00 O ATOM 694 CB LEU A 45 78.083 -10.320 -38.277 1.00 0.00 C ATOM 695 CG LEU A 45 77.287 -9.152 -37.691 1.00 0.00 C ATOM 696 CD1 LEU A 45 77.707 -8.926 -36.238 1.00 0.00 C ATOM 697 CD2 LEU A 45 77.566 -7.887 -38.506 1.00 0.00 C ATOM 0 H LEU A 45 75.702 -10.331 -39.058 1.00 0.00 H new ATOM 0 HA LEU A 45 78.244 -9.852 -40.373 1.00 0.00 H new ATOM 0 HB2 LEU A 45 77.896 -11.227 -37.701 1.00 0.00 H new ATOM 0 HB3 LEU A 45 79.152 -10.115 -38.211 1.00 0.00 H new ATOM 0 HG LEU A 45 76.222 -9.382 -37.729 1.00 0.00 H new ATOM 0 HD11 LEU A 45 77.140 -8.094 -35.821 1.00 0.00 H new ATOM 0 HD12 LEU A 45 77.509 -9.827 -35.658 1.00 0.00 H new ATOM 0 HD13 LEU A 45 78.772 -8.695 -36.199 1.00 0.00 H new ATOM 0 HD21 LEU A 45 77.000 -7.054 -38.090 1.00 0.00 H new ATOM 0 HD22 LEU A 45 78.631 -7.657 -38.468 1.00 0.00 H new ATOM 0 HD23 LEU A 45 77.267 -8.048 -39.542 1.00 0.00 H new ATOM 709 N GLN A 46 78.869 -12.117 -41.134 1.00 0.00 N ATOM 710 CA GLN A 46 79.234 -13.441 -41.625 1.00 0.00 C ATOM 711 C GLN A 46 80.734 -13.674 -41.471 1.00 0.00 C ATOM 712 O GLN A 46 81.547 -12.925 -42.016 1.00 0.00 O ATOM 713 CB GLN A 46 78.842 -13.579 -43.097 1.00 0.00 C ATOM 714 CG GLN A 46 77.381 -13.165 -43.278 1.00 0.00 C ATOM 715 CD GLN A 46 76.461 -14.223 -42.676 1.00 0.00 C ATOM 716 OE1 GLN A 46 76.933 -15.235 -42.157 1.00 0.00 O ATOM 717 NE2 GLN A 46 75.169 -14.047 -42.714 1.00 0.00 N ATOM 0 H GLN A 46 79.340 -11.344 -41.605 1.00 0.00 H new ATOM 0 HA GLN A 46 78.700 -14.187 -41.036 1.00 0.00 H new ATOM 0 HB2 GLN A 46 79.487 -12.955 -43.716 1.00 0.00 H new ATOM 0 HB3 GLN A 46 78.983 -14.608 -43.427 1.00 0.00 H new ATOM 0 HG2 GLN A 46 77.205 -12.202 -42.798 1.00 0.00 H new ATOM 0 HG3 GLN A 46 77.159 -13.038 -44.338 1.00 0.00 H new ATOM 0 HE21 GLN A 46 74.781 -13.208 -43.145 1.00 0.00 H new ATOM 0 HE22 GLN A 46 74.547 -14.749 -42.313 1.00 0.00 H new ATOM 726 N CYS A 47 81.095 -14.715 -40.727 1.00 0.00 N ATOM 727 CA CYS A 47 82.500 -15.053 -40.535 1.00 0.00 C ATOM 728 C CYS A 47 83.165 -15.362 -41.873 1.00 0.00 C ATOM 729 O CYS A 47 82.854 -16.366 -42.515 1.00 0.00 O ATOM 730 CB CYS A 47 82.674 -16.273 -39.613 1.00 0.00 C ATOM 731 SG CYS A 47 81.758 -16.088 -38.063 1.00 0.00 S ATOM 0 H CYS A 47 80.439 -15.334 -40.251 1.00 0.00 H new ATOM 0 HA CYS A 47 82.971 -14.187 -40.070 1.00 0.00 H new ATOM 0 HB2 CYS A 47 82.333 -17.170 -40.130 1.00 0.00 H new ATOM 0 HB3 CYS A 47 83.732 -16.414 -39.394 1.00 0.00 H new ATOM 736 N ILE A 48 84.081 -14.492 -42.288 1.00 0.00 N ATOM 737 CA ILE A 48 84.768 -14.671 -43.563 1.00 0.00 C ATOM 738 C ILE A 48 86.162 -15.248 -43.343 1.00 0.00 C ATOM 739 O ILE A 48 87.008 -14.624 -42.702 1.00 0.00 O ATOM 740 CB ILE A 48 84.877 -13.330 -44.290 1.00 0.00 C ATOM 741 CG1 ILE A 48 83.476 -12.834 -44.657 1.00 0.00 C ATOM 742 CG2 ILE A 48 85.704 -13.506 -45.565 1.00 0.00 C ATOM 743 CD1 ILE A 48 83.584 -11.747 -45.728 1.00 0.00 C ATOM 0 H ILE A 48 84.363 -13.663 -41.765 1.00 0.00 H new ATOM 0 HA ILE A 48 84.191 -15.367 -44.171 1.00 0.00 H new ATOM 0 HB ILE A 48 85.362 -12.603 -43.639 1.00 0.00 H new ATOM 0 HG12 ILE A 48 82.870 -13.662 -45.024 1.00 0.00 H new ATOM 0 HG13 ILE A 48 82.975 -12.440 -43.773 1.00 0.00 H new ATOM 0 HG21 ILE A 48 85.782 -12.550 -46.083 1.00 0.00 H new ATOM 0 HG22 ILE A 48 86.702 -13.860 -45.306 1.00 0.00 H new ATOM 0 HG23 ILE A 48 85.219 -14.233 -46.216 1.00 0.00 H new ATOM 0 HD11 ILE A 48 82.587 -11.394 -45.990 1.00 0.00 H new ATOM 0 HD12 ILE A 48 84.175 -10.915 -45.344 1.00 0.00 H new ATOM 0 HD13 ILE A 48 84.068 -12.157 -46.615 1.00 0.00 H new ATOM 755 N CYS A 49 86.394 -16.442 -43.877 1.00 0.00 N ATOM 756 CA CYS A 49 87.698 -17.083 -43.753 1.00 0.00 C ATOM 757 C CYS A 49 88.703 -16.443 -44.705 1.00 0.00 C ATOM 758 O CYS A 49 88.517 -16.460 -45.921 1.00 0.00 O ATOM 759 CB CYS A 49 87.571 -18.566 -44.100 1.00 0.00 C ATOM 760 SG CYS A 49 86.572 -19.485 -42.904 1.00 0.00 S ATOM 0 H CYS A 49 85.702 -16.982 -44.396 1.00 0.00 H new ATOM 0 HA CYS A 49 88.047 -16.961 -42.727 1.00 0.00 H new ATOM 0 HB2 CYS A 49 87.126 -18.666 -45.090 1.00 0.00 H new ATOM 0 HB3 CYS A 49 88.566 -19.009 -44.151 1.00 0.00 H new ATOM 765 N ASP A 50 89.768 -15.881 -44.143 1.00 0.00 N ATOM 766 CA ASP A 50 90.778 -15.205 -44.949 1.00 0.00 C ATOM 767 C ASP A 50 92.091 -15.980 -44.923 1.00 0.00 C ATOM 768 O ASP A 50 92.726 -16.110 -43.878 1.00 0.00 O ATOM 769 CB ASP A 50 91.009 -13.788 -44.418 1.00 0.00 C ATOM 770 CG ASP A 50 89.676 -13.150 -44.039 1.00 0.00 C ATOM 771 OD1 ASP A 50 88.653 -13.750 -44.322 1.00 0.00 O ATOM 772 OD2 ASP A 50 89.700 -12.070 -43.473 1.00 0.00 O ATOM 0 H ASP A 50 89.953 -15.880 -43.140 1.00 0.00 H new ATOM 0 HA ASP A 50 90.420 -15.153 -45.977 1.00 0.00 H new ATOM 0 HB2 ASP A 50 91.667 -13.819 -43.550 1.00 0.00 H new ATOM 0 HB3 ASP A 50 91.509 -13.184 -45.175 1.00 0.00 H new ATOM 777 N TYR A 51 92.491 -16.493 -46.082 1.00 0.00 N ATOM 778 CA TYR A 51 93.754 -17.214 -46.192 1.00 0.00 C ATOM 779 C TYR A 51 94.799 -16.360 -46.903 1.00 0.00 C ATOM 780 O TYR A 51 95.286 -16.722 -47.974 1.00 0.00 O ATOM 781 CB TYR A 51 93.543 -18.518 -46.964 1.00 0.00 C ATOM 782 CG TYR A 51 92.136 -19.014 -46.737 1.00 0.00 C ATOM 783 CD1 TYR A 51 91.860 -19.876 -45.667 1.00 0.00 C ATOM 784 CD2 TYR A 51 91.105 -18.613 -47.595 1.00 0.00 C ATOM 785 CE1 TYR A 51 90.555 -20.336 -45.457 1.00 0.00 C ATOM 786 CE2 TYR A 51 89.800 -19.073 -47.385 1.00 0.00 C ATOM 787 CZ TYR A 51 89.524 -19.934 -46.315 1.00 0.00 C ATOM 788 OH TYR A 51 88.238 -20.386 -46.109 1.00 0.00 O ATOM 0 H TYR A 51 91.963 -16.424 -46.952 1.00 0.00 H new ATOM 0 HA TYR A 51 94.112 -17.441 -45.188 1.00 0.00 H new ATOM 0 HB2 TYR A 51 93.716 -18.355 -48.028 1.00 0.00 H new ATOM 0 HB3 TYR A 51 94.262 -19.268 -46.635 1.00 0.00 H new ATOM 0 HD1 TYR A 51 92.655 -20.185 -45.004 1.00 0.00 H new ATOM 0 HD2 TYR A 51 91.317 -17.948 -48.419 1.00 0.00 H new ATOM 0 HE1 TYR A 51 90.343 -21.001 -44.633 1.00 0.00 H new ATOM 0 HE2 TYR A 51 89.005 -18.764 -48.048 1.00 0.00 H new ATOM 0 HH TYR A 51 87.646 -20.011 -46.794 1.00 0.00 H new ATOM 798 N CYS A 52 95.137 -15.224 -46.301 1.00 0.00 N ATOM 799 CA CYS A 52 96.107 -14.313 -46.898 1.00 0.00 C ATOM 800 C CYS A 52 96.447 -13.184 -45.930 1.00 0.00 C ATOM 801 O CYS A 52 96.111 -13.244 -44.748 1.00 0.00 O ATOM 802 CB CYS A 52 95.542 -13.725 -48.192 1.00 0.00 C ATOM 803 SG CYS A 52 95.837 -14.876 -49.557 1.00 0.00 S ATOM 0 H CYS A 52 94.757 -14.914 -45.407 1.00 0.00 H new ATOM 0 HA CYS A 52 97.016 -14.873 -47.120 1.00 0.00 H new ATOM 0 HB2 CYS A 52 94.473 -13.539 -48.083 1.00 0.00 H new ATOM 0 HB3 CYS A 52 96.013 -12.765 -48.404 1.00 0.00 H new ATOM 808 N GLU A 53 97.117 -12.156 -46.440 1.00 0.00 N ATOM 809 CA GLU A 53 97.480 -11.009 -45.616 1.00 0.00 C ATOM 810 C GLU A 53 96.610 -9.804 -45.962 1.00 0.00 C ATOM 811 O GLU A 53 97.068 -8.860 -46.606 1.00 0.00 O ATOM 812 CB GLU A 53 98.952 -10.655 -45.831 1.00 0.00 C ATOM 813 CG GLU A 53 99.833 -11.750 -45.226 1.00 0.00 C ATOM 814 CD GLU A 53 99.734 -11.718 -43.705 1.00 0.00 C ATOM 815 OE1 GLU A 53 99.300 -10.706 -43.180 1.00 0.00 O ATOM 816 OE2 GLU A 53 100.095 -12.707 -43.087 1.00 0.00 O ATOM 0 H GLU A 53 97.418 -12.093 -47.413 1.00 0.00 H new ATOM 0 HA GLU A 53 97.319 -11.272 -44.571 1.00 0.00 H new ATOM 0 HB2 GLU A 53 99.161 -10.552 -46.896 1.00 0.00 H new ATOM 0 HB3 GLU A 53 99.178 -9.694 -45.368 1.00 0.00 H new ATOM 0 HG2 GLU A 53 99.522 -12.726 -45.598 1.00 0.00 H new ATOM 0 HG3 GLU A 53 100.869 -11.607 -45.534 1.00 0.00 H new ATOM 823 N TYR A 54 95.353 -9.843 -45.531 1.00 0.00 N ATOM 824 CA TYR A 54 94.430 -8.745 -45.795 1.00 0.00 C ATOM 825 C TYR A 54 94.601 -8.234 -47.221 1.00 0.00 C ATOM 826 CB TYR A 54 94.681 -7.604 -44.808 1.00 0.00 C ATOM 827 CG TYR A 54 94.711 -8.153 -43.401 1.00 0.00 C ATOM 828 CD1 TYR A 54 95.904 -8.659 -42.872 1.00 0.00 C ATOM 829 CD2 TYR A 54 93.545 -8.154 -42.625 1.00 0.00 C ATOM 830 CE1 TYR A 54 95.932 -9.167 -41.568 1.00 0.00 C ATOM 831 CE2 TYR A 54 93.572 -8.663 -41.321 1.00 0.00 C ATOM 832 CZ TYR A 54 94.766 -9.169 -40.793 1.00 0.00 C ATOM 833 OH TYR A 54 94.792 -9.670 -39.507 1.00 0.00 O ATOM 0 H TYR A 54 94.952 -10.617 -45.001 1.00 0.00 H new ATOM 0 HA TYR A 54 93.411 -9.113 -45.673 1.00 0.00 H new ATOM 0 HB2 TYR A 54 95.626 -7.111 -45.038 1.00 0.00 H new ATOM 0 HB3 TYR A 54 93.898 -6.851 -44.899 1.00 0.00 H new ATOM 0 HD1 TYR A 54 96.803 -8.657 -43.470 1.00 0.00 H new ATOM 0 HD2 TYR A 54 92.625 -7.762 -43.033 1.00 0.00 H new ATOM 0 HE1 TYR A 54 96.853 -9.557 -41.160 1.00 0.00 H new ATOM 0 HE2 TYR A 54 92.673 -8.665 -40.723 1.00 0.00 H new ATOM 0 HH TYR A 54 93.900 -9.595 -39.109 1.00 0.00 H new