USER MOD reduce.3.24.130724 H: found=0, std=0, add=478, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 472 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 44 THR OG1 : rot 62:sc= 0.574! USER MOD Set 1.2: A 46 ASN : amide:sc= -0.744! C(o=-0.17!,f=-2.7!) USER MOD Single : A 1 MET CE :methyl 157:sc= 0 (180deg=-0.648) USER MOD Single : A 1 MET N :NH3+ -116:sc= 0.088 (180deg=-0.261) USER MOD Single : A 9 ASN : amide:sc= -0.0953 X(o=-0.095,f=-0.001) USER MOD Single : A 10 TYR OH : rot 180:sc= -0.405 USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 ASN : amide:sc= -1.92 K(o=-1.9,f=-0.62) USER MOD Single : A 16 GLN : amide:sc= -0.808 K(o=-0.81,f=0) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 19 CYS SG : rot 40:sc= 0.278 USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot -51:sc= -0.82! USER MOD Single : A 25 LYS NZ :NH3+ -171:sc= -7.85! (180deg=-8.17!) USER MOD Single : A 26 SER OG : rot 41:sc= 0.474 USER MOD Single : A 27 SER OG : rot -52:sc= 0.0777 USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 43 THR OG1 : rot 180:sc= -0.645 USER MOD Single : A 52 THR OG1 : rot -54:sc= 0.162 USER MOD Single : A 56 LYS NZ :NH3+ -158:sc= -0.318 (180deg=-0.894) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 HIS : no HD1:sc= -0.51 X(o=-0.51,f=-0.047) USER MOD Single : A 60 HIS : no HD1:sc= -0.841 K(o=-0.84,f=-2) USER MOD Single : A 61 HIS : no HE2:sc= -1.06 K(o=-1.1,f=-2.1) USER MOD Single : A 62 HIS : no HD1:sc= -1.06 K(o=-1.1,f=-1.8) USER MOD Single : A 63 HIS : no HD1:sc= -0.946 X(o=-0.95,f=-0.64) USER MOD Single : A 64 HIS : no HD1:sc= 0.495 K(o=0.49,f=-3.6!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 34.041 -1.121 -41.835 1.00 1.00 N ATOM 2 CA MET A 1 34.797 0.151 -42.018 1.00 1.00 C ATOM 3 C MET A 1 36.261 -0.075 -41.657 1.00 1.00 C ATOM 4 O MET A 1 36.619 -1.106 -41.087 1.00 1.00 O ATOM 5 CB MET A 1 34.196 1.232 -41.117 1.00 1.00 C ATOM 6 CG MET A 1 32.866 1.706 -41.705 1.00 1.00 C ATOM 7 SD MET A 1 31.761 2.214 -40.365 1.00 1.00 S ATOM 8 CE MET A 1 32.855 3.453 -39.626 1.00 1.00 C ATOM 0 H1 MET A 1 33.676 -1.443 -42.754 1.00 1.00 H new ATOM 0 H2 MET A 1 34.673 -1.847 -41.440 1.00 1.00 H new ATOM 0 H3 MET A 1 33.246 -0.962 -41.183 1.00 1.00 H new ATOM 0 HA MET A 1 34.731 0.474 -43.057 1.00 1.00 H new ATOM 0 HB2 MET A 1 34.042 0.838 -40.112 1.00 1.00 H new ATOM 0 HB3 MET A 1 34.886 2.071 -41.028 1.00 1.00 H new ATOM 0 HG2 MET A 1 33.034 2.539 -42.388 1.00 1.00 H new ATOM 0 HG3 MET A 1 32.407 0.906 -42.286 1.00 1.00 H new ATOM 0 HE1 MET A 1 32.262 4.170 -39.058 1.00 1.00 H new ATOM 0 HE2 MET A 1 33.565 2.961 -38.961 1.00 1.00 H new ATOM 0 HE3 MET A 1 33.398 3.975 -40.414 1.00 1.00 H new ATOM 20 N GLU A 2 37.104 0.897 -41.990 1.00 1.00 N ATOM 21 CA GLU A 2 38.529 0.795 -41.696 1.00 1.00 C ATOM 22 C GLU A 2 38.806 1.187 -40.248 1.00 1.00 C ATOM 23 O GLU A 2 38.624 2.341 -39.862 1.00 1.00 O ATOM 24 CB GLU A 2 39.324 1.703 -42.634 1.00 1.00 C ATOM 25 CG GLU A 2 39.152 1.224 -44.076 1.00 1.00 C ATOM 26 CD GLU A 2 40.241 0.215 -44.424 1.00 1.00 C ATOM 27 OE1 GLU A 2 41.339 0.643 -44.741 1.00 1.00 O ATOM 28 OE2 GLU A 2 39.962 -0.971 -44.368 1.00 1.00 O ATOM 0 H GLU A 2 36.828 1.759 -42.460 1.00 1.00 H new ATOM 0 HA GLU A 2 38.838 -0.239 -41.846 1.00 1.00 H new ATOM 0 HB2 GLU A 2 38.980 2.733 -42.538 1.00 1.00 H new ATOM 0 HB3 GLU A 2 40.379 1.693 -42.360 1.00 1.00 H new ATOM 0 HG2 GLU A 2 38.170 0.769 -44.202 1.00 1.00 H new ATOM 0 HG3 GLU A 2 39.200 2.073 -44.758 1.00 1.00 H new ATOM 35 N GLU A 3 39.248 0.219 -39.452 1.00 1.00 N ATOM 36 CA GLU A 3 39.547 0.476 -38.047 1.00 1.00 C ATOM 37 C GLU A 3 41.048 0.653 -37.843 1.00 1.00 C ATOM 38 O GLU A 3 41.480 1.426 -36.988 1.00 1.00 O ATOM 39 CB GLU A 3 39.046 -0.686 -37.186 1.00 1.00 C ATOM 40 CG GLU A 3 39.211 -1.999 -37.954 1.00 1.00 C ATOM 41 CD GLU A 3 38.916 -3.180 -37.036 1.00 1.00 C ATOM 42 OE1 GLU A 3 38.408 -2.949 -35.952 1.00 1.00 O ATOM 43 OE2 GLU A 3 39.204 -4.298 -37.431 1.00 1.00 O ATOM 0 H GLU A 3 39.406 -0.743 -39.752 1.00 1.00 H new ATOM 0 HA GLU A 3 39.041 1.394 -37.748 1.00 1.00 H new ATOM 0 HB2 GLU A 3 39.605 -0.727 -36.251 1.00 1.00 H new ATOM 0 HB3 GLU A 3 37.999 -0.534 -36.925 1.00 1.00 H new ATOM 0 HG2 GLU A 3 38.537 -2.016 -38.810 1.00 1.00 H new ATOM 0 HG3 GLU A 3 40.225 -2.076 -38.345 1.00 1.00 H new ATOM 50 N GLY A 4 41.837 -0.067 -38.634 1.00 1.00 N ATOM 51 CA GLY A 4 43.289 0.018 -38.530 1.00 1.00 C ATOM 52 C GLY A 4 43.828 -1.021 -37.553 1.00 1.00 C ATOM 53 O GLY A 4 43.302 -1.183 -36.452 1.00 1.00 O ATOM 0 H GLY A 4 41.499 -0.711 -39.349 1.00 1.00 H new ATOM 0 HA2 GLY A 4 43.737 -0.134 -39.512 1.00 1.00 H new ATOM 0 HA3 GLY A 4 43.576 1.016 -38.200 1.00 1.00 H new ATOM 57 N GLY A 5 44.880 -1.721 -37.965 1.00 1.00 N ATOM 58 CA GLY A 5 45.483 -2.744 -37.116 1.00 1.00 C ATOM 59 C GLY A 5 46.799 -3.236 -37.708 1.00 1.00 C ATOM 60 O GLY A 5 47.257 -2.732 -38.734 1.00 1.00 O ATOM 0 H GLY A 5 45.330 -1.601 -38.873 1.00 1.00 H new ATOM 0 HA2 GLY A 5 45.657 -2.339 -36.119 1.00 1.00 H new ATOM 0 HA3 GLY A 5 44.794 -3.581 -37.004 1.00 1.00 H new ATOM 64 N ASP A 6 47.401 -4.225 -37.057 1.00 1.00 N ATOM 65 CA ASP A 6 48.666 -4.779 -37.529 1.00 1.00 C ATOM 66 C ASP A 6 48.720 -6.282 -37.273 1.00 1.00 C ATOM 67 O ASP A 6 49.102 -7.056 -38.151 1.00 1.00 O ATOM 68 CB ASP A 6 49.833 -4.095 -36.816 1.00 1.00 C ATOM 69 CG ASP A 6 49.549 -2.605 -36.662 1.00 1.00 C ATOM 70 OD1 ASP A 6 48.821 -2.252 -35.750 1.00 1.00 O ATOM 71 OD2 ASP A 6 50.065 -1.839 -37.458 1.00 1.00 O ATOM 0 H ASP A 6 47.038 -4.657 -36.208 1.00 1.00 H new ATOM 0 HA ASP A 6 48.742 -4.602 -38.602 1.00 1.00 H new ATOM 0 HB2 ASP A 6 49.987 -4.547 -35.836 1.00 1.00 H new ATOM 0 HB3 ASP A 6 50.752 -4.242 -37.383 1.00 1.00 H new ATOM 76 N PHE A 7 48.336 -6.687 -36.068 1.00 1.00 N ATOM 77 CA PHE A 7 48.346 -8.100 -35.708 1.00 1.00 C ATOM 78 C PHE A 7 49.761 -8.663 -35.782 1.00 1.00 C ATOM 79 O PHE A 7 49.977 -9.764 -36.290 1.00 1.00 O ATOM 80 CB PHE A 7 47.433 -8.885 -36.653 1.00 1.00 C ATOM 81 CG PHE A 7 46.910 -10.112 -35.945 1.00 1.00 C ATOM 82 CD1 PHE A 7 45.909 -9.987 -34.975 1.00 1.00 C ATOM 83 CD2 PHE A 7 47.426 -11.375 -36.261 1.00 1.00 C ATOM 84 CE1 PHE A 7 45.425 -11.125 -34.319 1.00 1.00 C ATOM 85 CE2 PHE A 7 46.941 -12.512 -35.605 1.00 1.00 C ATOM 86 CZ PHE A 7 45.940 -12.388 -34.634 1.00 1.00 C ATOM 0 H PHE A 7 48.016 -6.062 -35.328 1.00 1.00 H new ATOM 0 HA PHE A 7 47.982 -8.197 -34.685 1.00 1.00 H new ATOM 0 HB2 PHE A 7 46.603 -8.258 -36.978 1.00 1.00 H new ATOM 0 HB3 PHE A 7 47.982 -9.175 -37.549 1.00 1.00 H new ATOM 0 HD1 PHE A 7 45.510 -9.013 -34.733 1.00 1.00 H new ATOM 0 HD2 PHE A 7 48.198 -11.471 -37.010 1.00 1.00 H new ATOM 0 HE1 PHE A 7 44.654 -11.028 -33.569 1.00 1.00 H new ATOM 0 HE2 PHE A 7 47.339 -13.486 -35.848 1.00 1.00 H new ATOM 0 HZ PHE A 7 45.566 -13.266 -34.129 1.00 1.00 H new ATOM 96 N ASP A 8 50.723 -7.901 -35.271 1.00 1.00 N ATOM 97 CA ASP A 8 52.115 -8.333 -35.284 1.00 1.00 C ATOM 98 C ASP A 8 52.807 -7.951 -33.980 1.00 1.00 C ATOM 99 O ASP A 8 53.946 -7.482 -33.985 1.00 1.00 O ATOM 100 CB ASP A 8 52.850 -7.691 -36.462 1.00 1.00 C ATOM 101 CG ASP A 8 53.979 -8.603 -36.932 1.00 1.00 C ATOM 102 OD1 ASP A 8 54.977 -8.686 -36.235 1.00 1.00 O ATOM 103 OD2 ASP A 8 53.829 -9.206 -37.982 1.00 1.00 O ATOM 0 H ASP A 8 50.565 -6.987 -34.846 1.00 1.00 H new ATOM 0 HA ASP A 8 52.138 -9.418 -35.389 1.00 1.00 H new ATOM 0 HB2 ASP A 8 52.153 -7.509 -37.281 1.00 1.00 H new ATOM 0 HB3 ASP A 8 53.253 -6.723 -36.166 1.00 1.00 H new ATOM 108 N ASN A 9 52.113 -8.155 -32.865 1.00 1.00 N ATOM 109 CA ASN A 9 52.671 -7.828 -31.560 1.00 1.00 C ATOM 110 C ASN A 9 51.971 -8.630 -30.468 1.00 1.00 C ATOM 111 O ASN A 9 50.817 -8.366 -30.134 1.00 1.00 O ATOM 112 CB ASN A 9 52.507 -6.333 -31.281 1.00 1.00 C ATOM 113 CG ASN A 9 53.558 -5.871 -30.278 1.00 1.00 C ATOM 114 OD1 ASN A 9 53.217 -5.376 -29.204 1.00 1.00 O ATOM 115 ND2 ASN A 9 54.824 -6.003 -30.566 1.00 1.00 N ATOM 0 H ASN A 9 51.170 -8.543 -32.839 1.00 1.00 H new ATOM 0 HA ASN A 9 53.731 -8.081 -31.563 1.00 1.00 H new ATOM 0 HB2 ASN A 9 52.605 -5.769 -32.208 1.00 1.00 H new ATOM 0 HB3 ASN A 9 51.509 -6.135 -30.891 1.00 1.00 H new ATOM 0 HD21 ASN A 9 55.533 -5.696 -29.900 1.00 1.00 H new ATOM 0 HD22 ASN A 9 55.104 -6.414 -31.457 1.00 1.00 H new ATOM 122 N TYR A 10 52.682 -9.605 -29.909 1.00 1.00 N ATOM 123 CA TYR A 10 52.125 -10.434 -28.852 1.00 1.00 C ATOM 124 C TYR A 10 51.020 -11.342 -29.390 1.00 1.00 C ATOM 125 O TYR A 10 50.909 -12.499 -28.984 1.00 1.00 O ATOM 126 CB TYR A 10 51.576 -9.534 -27.756 1.00 1.00 C ATOM 127 CG TYR A 10 51.919 -10.110 -26.402 1.00 1.00 C ATOM 128 CD1 TYR A 10 53.255 -10.179 -25.991 1.00 1.00 C ATOM 129 CD2 TYR A 10 50.902 -10.573 -25.558 1.00 1.00 C ATOM 130 CE1 TYR A 10 53.575 -10.711 -24.736 1.00 1.00 C ATOM 131 CE2 TYR A 10 51.222 -11.104 -24.304 1.00 1.00 C ATOM 132 CZ TYR A 10 52.559 -11.174 -23.892 1.00 1.00 C ATOM 133 OH TYR A 10 52.874 -11.698 -22.655 1.00 1.00 O ATOM 0 H TYR A 10 53.640 -9.837 -30.171 1.00 1.00 H new ATOM 0 HA TYR A 10 52.912 -11.071 -28.450 1.00 1.00 H new ATOM 0 HB2 TYR A 10 51.994 -8.532 -27.852 1.00 1.00 H new ATOM 0 HB3 TYR A 10 50.495 -9.439 -27.858 1.00 1.00 H new ATOM 0 HD1 TYR A 10 54.039 -9.822 -26.642 1.00 1.00 H new ATOM 0 HD2 TYR A 10 49.871 -10.520 -25.875 1.00 1.00 H new ATOM 0 HE1 TYR A 10 54.606 -10.764 -24.419 1.00 1.00 H new ATOM 0 HE2 TYR A 10 50.437 -11.460 -23.653 1.00 1.00 H new ATOM 0 HH TYR A 10 52.052 -11.971 -22.197 1.00 1.00 H new ATOM 143 N TYR A 11 50.211 -10.813 -30.306 1.00 1.00 N ATOM 144 CA TYR A 11 49.120 -11.584 -30.895 1.00 1.00 C ATOM 145 C TYR A 11 48.452 -12.469 -29.845 1.00 1.00 C ATOM 146 O TYR A 11 48.893 -13.590 -29.591 1.00 1.00 O ATOM 147 CB TYR A 11 49.651 -12.452 -32.039 1.00 1.00 C ATOM 148 CG TYR A 11 51.160 -12.377 -32.071 1.00 1.00 C ATOM 149 CD1 TYR A 11 51.793 -11.252 -32.611 1.00 1.00 C ATOM 150 CD2 TYR A 11 51.923 -13.433 -31.559 1.00 1.00 C ATOM 151 CE1 TYR A 11 53.191 -11.182 -32.639 1.00 1.00 C ATOM 152 CE2 TYR A 11 53.322 -13.362 -31.586 1.00 1.00 C ATOM 153 CZ TYR A 11 53.956 -12.238 -32.128 1.00 1.00 C ATOM 154 OH TYR A 11 55.333 -12.169 -32.155 1.00 1.00 O ATOM 0 H TYR A 11 50.290 -9.858 -30.655 1.00 1.00 H new ATOM 0 HA TYR A 11 48.379 -10.886 -31.283 1.00 1.00 H new ATOM 0 HB2 TYR A 11 49.331 -13.485 -31.905 1.00 1.00 H new ATOM 0 HB3 TYR A 11 49.239 -12.112 -32.989 1.00 1.00 H new ATOM 0 HD1 TYR A 11 51.203 -10.438 -33.006 1.00 1.00 H new ATOM 0 HD2 TYR A 11 51.434 -14.302 -31.144 1.00 1.00 H new ATOM 0 HE1 TYR A 11 53.680 -10.313 -33.055 1.00 1.00 H new ATOM 0 HE2 TYR A 11 53.911 -14.175 -31.188 1.00 1.00 H new ATOM 0 HH TYR A 11 55.709 -12.983 -31.761 1.00 1.00 H new ATOM 164 N GLY A 12 47.386 -11.956 -29.238 1.00 1.00 N ATOM 165 CA GLY A 12 46.665 -12.707 -28.218 1.00 1.00 C ATOM 166 C GLY A 12 47.509 -12.867 -26.958 1.00 1.00 C ATOM 167 O GLY A 12 47.156 -12.358 -25.894 1.00 1.00 O ATOM 0 H GLY A 12 47.005 -11.030 -29.433 1.00 1.00 H new ATOM 0 HA2 GLY A 12 45.734 -12.195 -27.974 1.00 1.00 H new ATOM 0 HA3 GLY A 12 46.396 -13.689 -28.607 1.00 1.00 H new ATOM 171 N ALA A 13 48.624 -13.579 -27.085 1.00 1.00 N ATOM 172 CA ALA A 13 49.511 -13.802 -25.948 1.00 1.00 C ATOM 173 C ALA A 13 50.865 -14.320 -26.420 1.00 1.00 C ATOM 174 O ALA A 13 51.852 -13.584 -26.436 1.00 1.00 O ATOM 175 CB ALA A 13 48.882 -14.811 -24.985 1.00 1.00 C ATOM 0 H ALA A 13 48.934 -14.009 -27.957 1.00 1.00 H new ATOM 0 HA ALA A 13 49.658 -12.853 -25.433 1.00 1.00 H new ATOM 0 HB1 ALA A 13 49.550 -14.972 -24.139 1.00 1.00 H new ATOM 0 HB2 ALA A 13 47.928 -14.425 -24.626 1.00 1.00 H new ATOM 0 HB3 ALA A 13 48.719 -15.756 -25.503 1.00 1.00 H new ATOM 181 N ASP A 14 50.905 -15.592 -26.805 1.00 1.00 N ATOM 182 CA ASP A 14 52.144 -16.200 -27.275 1.00 1.00 C ATOM 183 C ASP A 14 53.179 -16.244 -26.156 1.00 1.00 C ATOM 184 O ASP A 14 54.294 -16.730 -26.348 1.00 1.00 O ATOM 185 CB ASP A 14 52.701 -15.400 -28.455 1.00 1.00 C ATOM 186 CG ASP A 14 53.208 -16.349 -29.536 1.00 1.00 C ATOM 187 OD1 ASP A 14 53.999 -17.218 -29.210 1.00 1.00 O ATOM 188 OD2 ASP A 14 52.798 -16.192 -30.674 1.00 1.00 O ATOM 0 H ASP A 14 50.099 -16.218 -26.801 1.00 1.00 H new ATOM 0 HA ASP A 14 51.928 -17.220 -27.594 1.00 1.00 H new ATOM 0 HB2 ASP A 14 51.926 -14.751 -28.863 1.00 1.00 H new ATOM 0 HB3 ASP A 14 53.512 -14.754 -28.117 1.00 1.00 H new ATOM 193 N ASN A 15 52.802 -15.734 -24.988 1.00 1.00 N ATOM 194 CA ASN A 15 53.707 -15.722 -23.844 1.00 1.00 C ATOM 195 C ASN A 15 52.924 -15.835 -22.540 1.00 1.00 C ATOM 196 O ASN A 15 52.720 -14.844 -21.840 1.00 1.00 O ATOM 197 CB ASN A 15 54.525 -14.430 -23.840 1.00 1.00 C ATOM 198 CG ASN A 15 55.207 -14.240 -25.190 1.00 1.00 C ATOM 199 OD1 ASN A 15 54.840 -13.345 -25.951 1.00 1.00 O ATOM 200 ND2 ASN A 15 56.185 -15.033 -25.535 1.00 1.00 N ATOM 0 H ASN A 15 51.884 -15.327 -24.809 1.00 1.00 H new ATOM 0 HA ASN A 15 54.378 -16.577 -23.926 1.00 1.00 H new ATOM 0 HB2 ASN A 15 53.876 -13.580 -23.628 1.00 1.00 H new ATOM 0 HB3 ASN A 15 55.273 -14.466 -23.048 1.00 1.00 H new ATOM 0 HD21 ASN A 15 56.646 -14.911 -26.437 1.00 1.00 H new ATOM 0 HD22 ASN A 15 56.488 -15.774 -24.903 1.00 1.00 H new ATOM 207 N GLN A 16 52.486 -17.049 -22.222 1.00 1.00 N ATOM 208 CA GLN A 16 51.727 -17.280 -20.999 1.00 1.00 C ATOM 209 C GLN A 16 52.615 -17.895 -19.922 1.00 1.00 C ATOM 210 O GLN A 16 52.516 -17.544 -18.746 1.00 1.00 O ATOM 211 CB GLN A 16 50.549 -18.216 -21.285 1.00 1.00 C ATOM 212 CG GLN A 16 49.615 -17.563 -22.306 1.00 1.00 C ATOM 213 CD GLN A 16 49.532 -18.425 -23.561 1.00 1.00 C ATOM 214 OE1 GLN A 16 48.459 -18.924 -23.902 1.00 1.00 O ATOM 215 NE2 GLN A 16 50.605 -18.630 -24.273 1.00 1.00 N ATOM 0 H GLN A 16 52.642 -17.882 -22.790 1.00 1.00 H new ATOM 0 HA GLN A 16 51.353 -16.321 -20.641 1.00 1.00 H new ATOM 0 HB2 GLN A 16 50.913 -19.170 -21.667 1.00 1.00 H new ATOM 0 HB3 GLN A 16 50.007 -18.428 -20.363 1.00 1.00 H new ATOM 0 HG2 GLN A 16 48.622 -17.437 -21.875 1.00 1.00 H new ATOM 0 HG3 GLN A 16 49.980 -16.568 -22.561 1.00 1.00 H new ATOM 0 HE21 GLN A 16 51.493 -18.216 -23.989 1.00 1.00 H new ATOM 0 HE22 GLN A 16 50.557 -19.205 -25.114 1.00 1.00 H new ATOM 224 N SER A 17 53.484 -18.813 -20.332 1.00 1.00 N ATOM 225 CA SER A 17 54.387 -19.469 -19.393 1.00 1.00 C ATOM 226 C SER A 17 55.699 -18.699 -19.284 1.00 1.00 C ATOM 227 O SER A 17 56.572 -19.052 -18.490 1.00 1.00 O ATOM 228 CB SER A 17 54.670 -20.899 -19.855 1.00 1.00 C ATOM 229 OG SER A 17 53.460 -21.645 -19.840 1.00 1.00 O ATOM 0 H SER A 17 53.582 -19.118 -21.300 1.00 1.00 H new ATOM 0 HA SER A 17 53.910 -19.491 -18.413 1.00 1.00 H new ATOM 0 HB2 SER A 17 55.094 -20.892 -20.859 1.00 1.00 H new ATOM 0 HB3 SER A 17 55.407 -21.366 -19.201 1.00 1.00 H new ATOM 0 HG SER A 17 53.637 -22.562 -20.137 1.00 1.00 H new ATOM 235 N GLU A 18 55.831 -17.648 -20.085 1.00 1.00 N ATOM 236 CA GLU A 18 57.041 -16.834 -20.070 1.00 1.00 C ATOM 237 C GLU A 18 56.807 -15.539 -19.298 1.00 1.00 C ATOM 238 O GLU A 18 57.635 -14.629 -19.328 1.00 1.00 O ATOM 239 CB GLU A 18 57.467 -16.506 -21.502 1.00 1.00 C ATOM 240 CG GLU A 18 58.984 -16.655 -21.632 1.00 1.00 C ATOM 241 CD GLU A 18 59.426 -16.285 -23.043 1.00 1.00 C ATOM 242 OE1 GLU A 18 58.806 -16.761 -23.980 1.00 1.00 O ATOM 243 OE2 GLU A 18 60.377 -15.531 -23.167 1.00 1.00 O ATOM 0 H GLU A 18 55.120 -17.341 -20.749 1.00 1.00 H new ATOM 0 HA GLU A 18 57.831 -17.400 -19.576 1.00 1.00 H new ATOM 0 HB2 GLU A 18 56.964 -17.172 -22.203 1.00 1.00 H new ATOM 0 HB3 GLU A 18 57.168 -15.489 -21.758 1.00 1.00 H new ATOM 0 HG2 GLU A 18 59.484 -16.014 -20.906 1.00 1.00 H new ATOM 0 HG3 GLU A 18 59.277 -17.680 -21.407 1.00 1.00 H new ATOM 250 N CYS A 19 55.674 -15.465 -18.607 1.00 1.00 N ATOM 251 CA CYS A 19 55.341 -14.276 -17.831 1.00 1.00 C ATOM 252 C CYS A 19 54.333 -14.615 -16.738 1.00 1.00 C ATOM 253 O CYS A 19 54.388 -14.065 -15.638 1.00 1.00 O ATOM 254 CB CYS A 19 54.761 -13.198 -18.747 1.00 1.00 C ATOM 255 SG CYS A 19 56.047 -11.989 -19.145 1.00 1.00 S ATOM 0 H CYS A 19 54.976 -16.208 -18.568 1.00 1.00 H new ATOM 0 HA CYS A 19 56.253 -13.903 -17.365 1.00 1.00 H new ATOM 0 HB2 CYS A 19 54.377 -13.651 -19.661 1.00 1.00 H new ATOM 0 HB3 CYS A 19 53.921 -12.704 -18.259 1.00 1.00 H new ATOM 0 HG CYS A 19 57.175 -12.605 -19.345 1.00 1.00 H new ATOM 261 N GLU A 20 53.412 -15.521 -17.049 1.00 1.00 N ATOM 262 CA GLU A 20 52.397 -15.922 -16.083 1.00 1.00 C ATOM 263 C GLU A 20 51.868 -14.706 -15.331 1.00 1.00 C ATOM 264 O GLU A 20 51.431 -14.813 -14.185 1.00 1.00 O ATOM 265 CB GLU A 20 52.989 -16.926 -15.090 1.00 1.00 C ATOM 266 CG GLU A 20 52.032 -18.109 -14.924 1.00 1.00 C ATOM 267 CD GLU A 20 52.609 -19.110 -13.929 1.00 1.00 C ATOM 268 OE1 GLU A 20 53.758 -19.484 -14.094 1.00 1.00 O ATOM 269 OE2 GLU A 20 51.891 -19.488 -13.017 1.00 1.00 O ATOM 0 H GLU A 20 53.348 -15.988 -17.954 1.00 1.00 H new ATOM 0 HA GLU A 20 51.572 -16.390 -16.620 1.00 1.00 H new ATOM 0 HB2 GLU A 20 53.958 -17.276 -15.446 1.00 1.00 H new ATOM 0 HB3 GLU A 20 53.158 -16.444 -14.127 1.00 1.00 H new ATOM 0 HG2 GLU A 20 51.061 -17.756 -14.576 1.00 1.00 H new ATOM 0 HG3 GLU A 20 51.869 -18.593 -15.887 1.00 1.00 H new ATOM 276 N TYR A 21 51.910 -13.550 -15.987 1.00 1.00 N ATOM 277 CA TYR A 21 51.433 -12.312 -15.378 1.00 1.00 C ATOM 278 C TYR A 21 52.391 -11.843 -14.287 1.00 1.00 C ATOM 279 O TYR A 21 52.936 -10.741 -14.360 1.00 1.00 O ATOM 280 CB TYR A 21 50.039 -12.521 -14.781 1.00 1.00 C ATOM 281 CG TYR A 21 49.273 -13.517 -15.619 1.00 1.00 C ATOM 282 CD1 TYR A 21 49.220 -13.369 -17.011 1.00 1.00 C ATOM 283 CD2 TYR A 21 48.616 -14.590 -15.004 1.00 1.00 C ATOM 284 CE1 TYR A 21 48.512 -14.294 -17.786 1.00 1.00 C ATOM 285 CE2 TYR A 21 47.906 -15.515 -15.780 1.00 1.00 C ATOM 286 CZ TYR A 21 47.854 -15.367 -17.172 1.00 1.00 C ATOM 287 OH TYR A 21 47.156 -16.278 -17.937 1.00 1.00 O ATOM 0 H TYR A 21 52.268 -13.444 -16.936 1.00 1.00 H new ATOM 0 HA TYR A 21 51.383 -11.548 -16.154 1.00 1.00 H new ATOM 0 HB2 TYR A 21 50.122 -12.881 -13.755 1.00 1.00 H new ATOM 0 HB3 TYR A 21 49.502 -11.573 -14.744 1.00 1.00 H new ATOM 0 HD1 TYR A 21 49.726 -12.541 -17.486 1.00 1.00 H new ATOM 0 HD2 TYR A 21 48.657 -14.704 -13.931 1.00 1.00 H new ATOM 0 HE1 TYR A 21 48.473 -14.180 -18.859 1.00 1.00 H new ATOM 0 HE2 TYR A 21 47.399 -16.342 -15.305 1.00 1.00 H new ATOM 0 HH TYR A 21 46.760 -16.959 -17.354 1.00 1.00 H new ATOM 297 N THR A 22 52.592 -12.683 -13.277 1.00 1.00 N ATOM 298 CA THR A 22 53.486 -12.338 -12.177 1.00 1.00 C ATOM 299 C THR A 22 53.795 -13.569 -11.331 1.00 1.00 C ATOM 300 O THR A 22 53.850 -13.492 -10.104 1.00 1.00 O ATOM 301 CB THR A 22 52.840 -11.261 -11.300 1.00 1.00 C ATOM 302 OG1 THR A 22 51.910 -10.519 -12.074 1.00 1.00 O ATOM 303 CG2 THR A 22 53.920 -10.322 -10.759 1.00 1.00 C ATOM 0 H THR A 22 52.152 -13.600 -13.197 1.00 1.00 H new ATOM 0 HA THR A 22 54.418 -11.957 -12.595 1.00 1.00 H new ATOM 0 HB THR A 22 52.324 -11.735 -10.465 1.00 1.00 H new ATOM 0 HG1 THR A 22 52.339 -10.219 -12.902 1.00 1.00 H new ATOM 0 HG21 THR A 22 53.458 -9.557 -10.135 1.00 1.00 H new ATOM 0 HG22 THR A 22 54.634 -10.892 -10.164 1.00 1.00 H new ATOM 0 HG23 THR A 22 54.439 -9.847 -11.591 1.00 1.00 H new ATOM 311 N ASP A 23 53.999 -14.701 -11.998 1.00 1.00 N ATOM 312 CA ASP A 23 54.306 -15.947 -11.303 1.00 1.00 C ATOM 313 C ASP A 23 55.506 -16.632 -11.946 1.00 1.00 C ATOM 314 O ASP A 23 55.953 -17.684 -11.486 1.00 1.00 O ATOM 315 CB ASP A 23 53.097 -16.883 -11.346 1.00 1.00 C ATOM 316 CG ASP A 23 52.580 -17.135 -9.933 1.00 1.00 C ATOM 317 OD1 ASP A 23 51.937 -16.251 -9.393 1.00 1.00 O ATOM 318 OD2 ASP A 23 52.837 -18.208 -9.413 1.00 1.00 O ATOM 0 H ASP A 23 53.958 -14.782 -13.014 1.00 1.00 H new ATOM 0 HA ASP A 23 54.545 -15.714 -10.265 1.00 1.00 H new ATOM 0 HB2 ASP A 23 52.309 -16.444 -11.957 1.00 1.00 H new ATOM 0 HB3 ASP A 23 53.375 -17.827 -11.814 1.00 1.00 H new ATOM 323 N TRP A 24 56.027 -16.027 -13.008 1.00 1.00 N ATOM 324 CA TRP A 24 57.180 -16.584 -13.705 1.00 1.00 C ATOM 325 C TRP A 24 58.433 -16.455 -12.846 1.00 1.00 C ATOM 326 O TRP A 24 59.474 -17.030 -13.160 1.00 1.00 O ATOM 327 CB TRP A 24 57.391 -15.854 -15.032 1.00 1.00 C ATOM 328 CG TRP A 24 58.032 -14.529 -14.773 1.00 1.00 C ATOM 329 CD1 TRP A 24 57.365 -13.375 -14.537 1.00 1.00 C ATOM 330 CD2 TRP A 24 59.450 -14.198 -14.719 1.00 1.00 C ATOM 331 NE1 TRP A 24 58.282 -12.359 -14.341 1.00 1.00 N ATOM 332 CE2 TRP A 24 59.581 -12.816 -14.443 1.00 1.00 C ATOM 333 CE3 TRP A 24 60.624 -14.956 -14.880 1.00 1.00 C ATOM 334 CZ2 TRP A 24 60.832 -12.208 -14.332 1.00 1.00 C ATOM 335 CZ3 TRP A 24 61.885 -14.347 -14.768 1.00 1.00 C ATOM 336 CH2 TRP A 24 61.988 -12.976 -14.495 1.00 1.00 C ATOM 0 H TRP A 24 55.672 -15.156 -13.403 1.00 1.00 H new ATOM 0 HA TRP A 24 56.991 -17.640 -13.899 1.00 1.00 H new ATOM 0 HB2 TRP A 24 58.019 -16.451 -15.693 1.00 1.00 H new ATOM 0 HB3 TRP A 24 56.436 -15.716 -15.539 1.00 1.00 H new ATOM 0 HD1 TRP A 24 56.291 -13.266 -14.507 1.00 1.00 H new ATOM 0 HE1 TRP A 24 58.030 -11.390 -14.145 1.00 1.00 H new ATOM 0 HE3 TRP A 24 60.555 -16.013 -15.091 1.00 1.00 H new ATOM 0 HZ2 TRP A 24 60.906 -11.151 -14.122 1.00 1.00 H new ATOM 0 HZ3 TRP A 24 62.780 -14.938 -14.893 1.00 1.00 H new ATOM 0 HH2 TRP A 24 62.960 -12.513 -14.411 1.00 1.00 H new ATOM 347 N LYS A 25 58.321 -15.693 -11.761 1.00 1.00 N ATOM 348 CA LYS A 25 59.449 -15.489 -10.859 1.00 1.00 C ATOM 349 C LYS A 25 59.012 -15.654 -9.407 1.00 1.00 C ATOM 350 O LYS A 25 59.818 -15.515 -8.487 1.00 1.00 O ATOM 351 CB LYS A 25 60.053 -14.094 -11.066 1.00 1.00 C ATOM 352 CG LYS A 25 58.942 -13.054 -11.271 1.00 1.00 C ATOM 353 CD LYS A 25 58.073 -12.963 -10.015 1.00 1.00 C ATOM 354 CE LYS A 25 57.394 -11.594 -9.966 1.00 1.00 C ATOM 355 NZ LYS A 25 56.491 -11.530 -8.782 1.00 1.00 N ATOM 0 H LYS A 25 57.466 -15.210 -11.487 1.00 1.00 H new ATOM 0 HA LYS A 25 60.206 -16.240 -11.085 1.00 1.00 H new ATOM 0 HB2 LYS A 25 60.660 -13.822 -10.202 1.00 1.00 H new ATOM 0 HB3 LYS A 25 60.716 -14.103 -11.931 1.00 1.00 H new ATOM 0 HG2 LYS A 25 59.380 -12.081 -11.492 1.00 1.00 H new ATOM 0 HG3 LYS A 25 58.328 -13.329 -12.129 1.00 1.00 H new ATOM 0 HD2 LYS A 25 57.323 -13.754 -10.020 1.00 1.00 H new ATOM 0 HD3 LYS A 25 58.684 -13.110 -9.125 1.00 1.00 H new ATOM 0 HE2 LYS A 25 58.145 -10.806 -9.908 1.00 1.00 H new ATOM 0 HE3 LYS A 25 56.825 -11.425 -10.880 1.00 1.00 H new ATOM 0 HZ1 LYS A 25 55.916 -10.665 -8.830 1.00 1.00 H new ATOM 0 HZ2 LYS A 25 55.866 -12.361 -8.777 1.00 1.00 H new ATOM 0 HZ3 LYS A 25 57.060 -11.520 -7.912 1.00 1.00 H new ATOM 369 N SER A 26 57.731 -15.952 -9.210 1.00 1.00 N ATOM 370 CA SER A 26 57.190 -16.137 -7.867 1.00 1.00 C ATOM 371 C SER A 26 57.779 -15.112 -6.902 1.00 1.00 C ATOM 372 O SER A 26 58.697 -15.418 -6.140 1.00 1.00 O ATOM 373 CB SER A 26 57.502 -17.548 -7.369 1.00 1.00 C ATOM 374 OG SER A 26 58.903 -17.774 -7.446 1.00 1.00 O ATOM 0 H SER A 26 57.050 -16.070 -9.960 1.00 1.00 H new ATOM 0 HA SER A 26 56.110 -15.997 -7.910 1.00 1.00 H new ATOM 0 HB2 SER A 26 57.159 -17.668 -6.341 1.00 1.00 H new ATOM 0 HB3 SER A 26 56.970 -18.285 -7.971 1.00 1.00 H new ATOM 0 HG SER A 26 59.381 -16.971 -7.149 1.00 1.00 H new ATOM 380 N SER A 27 57.246 -13.895 -6.938 1.00 1.00 N ATOM 381 CA SER A 27 57.726 -12.835 -6.059 1.00 1.00 C ATOM 382 C SER A 27 56.700 -11.710 -5.964 1.00 1.00 C ATOM 383 O SER A 27 57.034 -10.579 -5.615 1.00 1.00 O ATOM 384 CB SER A 27 59.048 -12.277 -6.589 1.00 1.00 C ATOM 385 OG SER A 27 59.757 -11.660 -5.522 1.00 1.00 O ATOM 0 H SER A 27 56.487 -13.620 -7.561 1.00 1.00 H new ATOM 0 HA SER A 27 57.880 -13.256 -5.065 1.00 1.00 H new ATOM 0 HB2 SER A 27 59.646 -13.078 -7.024 1.00 1.00 H new ATOM 0 HB3 SER A 27 58.859 -11.554 -7.382 1.00 1.00 H new ATOM 0 HG SER A 27 59.172 -11.018 -5.069 1.00 1.00 H new ATOM 391 N GLY A 28 55.448 -12.031 -6.278 1.00 1.00 N ATOM 392 CA GLY A 28 54.380 -11.039 -6.224 1.00 1.00 C ATOM 393 C GLY A 28 53.037 -11.702 -5.939 1.00 1.00 C ATOM 394 O GLY A 28 51.981 -11.131 -6.213 1.00 1.00 O ATOM 0 H GLY A 28 55.150 -12.962 -6.570 1.00 1.00 H new ATOM 0 HA2 GLY A 28 54.599 -10.304 -5.449 1.00 1.00 H new ATOM 0 HA3 GLY A 28 54.331 -10.500 -7.170 1.00 1.00 H new ATOM 398 N ALA A 29 53.085 -12.910 -5.387 1.00 1.00 N ATOM 399 CA ALA A 29 51.864 -13.641 -5.069 1.00 1.00 C ATOM 400 C ALA A 29 52.019 -14.394 -3.752 1.00 1.00 C ATOM 401 O ALA A 29 51.068 -15.001 -3.256 1.00 1.00 O ATOM 402 CB ALA A 29 51.541 -14.632 -6.190 1.00 1.00 C ATOM 0 H ALA A 29 53.948 -13.400 -5.152 1.00 1.00 H new ATOM 0 HA ALA A 29 51.049 -12.924 -4.972 1.00 1.00 H new ATOM 0 HB1 ALA A 29 50.628 -15.174 -5.945 1.00 1.00 H new ATOM 0 HB2 ALA A 29 51.401 -14.090 -7.125 1.00 1.00 H new ATOM 0 HB3 ALA A 29 52.364 -15.339 -6.299 1.00 1.00 H new ATOM 408 N LEU A 30 53.224 -14.351 -3.189 1.00 1.00 N ATOM 409 CA LEU A 30 53.499 -15.032 -1.928 1.00 1.00 C ATOM 410 C LEU A 30 53.651 -14.014 -0.801 1.00 1.00 C ATOM 411 O LEU A 30 53.211 -14.251 0.324 1.00 1.00 O ATOM 412 CB LEU A 30 54.783 -15.867 -2.033 1.00 1.00 C ATOM 413 CG LEU A 30 54.735 -16.791 -3.264 1.00 1.00 C ATOM 414 CD1 LEU A 30 53.436 -17.599 -3.256 1.00 1.00 C ATOM 415 CD2 LEU A 30 54.812 -15.971 -4.560 1.00 1.00 C ATOM 0 H LEU A 30 54.022 -13.854 -3.584 1.00 1.00 H new ATOM 0 HA LEU A 30 52.661 -15.694 -1.710 1.00 1.00 H new ATOM 0 HB2 LEU A 30 55.647 -15.206 -2.102 1.00 1.00 H new ATOM 0 HB3 LEU A 30 54.909 -16.464 -1.130 1.00 1.00 H new ATOM 0 HG LEU A 30 55.590 -17.466 -3.220 1.00 1.00 H new ATOM 0 HD11 LEU A 30 53.408 -18.251 -4.129 1.00 1.00 H new ATOM 0 HD12 LEU A 30 53.389 -18.203 -2.350 1.00 1.00 H new ATOM 0 HD13 LEU A 30 52.584 -16.919 -3.283 1.00 1.00 H new ATOM 0 HD21 LEU A 30 54.777 -16.642 -5.418 1.00 1.00 H new ATOM 0 HD22 LEU A 30 53.970 -15.281 -4.604 1.00 1.00 H new ATOM 0 HD23 LEU A 30 55.745 -15.407 -4.579 1.00 1.00 H new ATOM 427 N ILE A 31 54.276 -12.884 -1.111 1.00 1.00 N ATOM 428 CA ILE A 31 54.480 -11.839 -0.115 1.00 1.00 C ATOM 429 C ILE A 31 53.228 -10.967 0.040 1.00 1.00 C ATOM 430 O ILE A 31 52.894 -10.559 1.152 1.00 1.00 O ATOM 431 CB ILE A 31 55.702 -10.984 -0.498 1.00 1.00 C ATOM 432 CG1 ILE A 31 56.922 -11.480 0.282 1.00 1.00 C ATOM 433 CG2 ILE A 31 55.466 -9.504 -0.163 1.00 1.00 C ATOM 434 CD1 ILE A 31 57.129 -12.972 0.013 1.00 1.00 C ATOM 0 H ILE A 31 54.648 -12.669 -2.036 1.00 1.00 H new ATOM 0 HA ILE A 31 54.669 -12.311 0.849 1.00 1.00 H new ATOM 0 HB ILE A 31 55.867 -11.077 -1.571 1.00 1.00 H new ATOM 0 HG12 ILE A 31 57.809 -10.920 -0.015 1.00 1.00 H new ATOM 0 HG13 ILE A 31 56.779 -11.309 1.349 1.00 1.00 H new ATOM 0 HG21 ILE A 31 56.344 -8.923 -0.444 1.00 1.00 H new ATOM 0 HG22 ILE A 31 54.599 -9.140 -0.714 1.00 1.00 H new ATOM 0 HG23 ILE A 31 55.287 -9.397 0.907 1.00 1.00 H new ATOM 0 HD11 ILE A 31 57.998 -13.325 0.569 1.00 1.00 H new ATOM 0 HD12 ILE A 31 56.245 -13.525 0.332 1.00 1.00 H new ATOM 0 HD13 ILE A 31 57.291 -13.130 -1.053 1.00 1.00 H new ATOM 446 N PRO A 32 52.531 -10.671 -1.032 1.00 1.00 N ATOM 447 CA PRO A 32 51.308 -9.830 -0.979 1.00 1.00 C ATOM 448 C PRO A 32 50.053 -10.656 -0.700 1.00 1.00 C ATOM 449 O PRO A 32 48.937 -10.210 -0.967 1.00 1.00 O ATOM 450 CB PRO A 32 51.256 -9.206 -2.371 1.00 1.00 C ATOM 451 CG PRO A 32 51.940 -10.181 -3.280 1.00 1.00 C ATOM 452 CD PRO A 32 52.819 -11.092 -2.412 1.00 1.00 C ATOM 0 HA PRO A 32 51.342 -9.096 -0.174 1.00 1.00 H new ATOM 0 HB2 PRO A 32 50.226 -9.035 -2.685 1.00 1.00 H new ATOM 0 HB3 PRO A 32 51.759 -8.239 -2.385 1.00 1.00 H new ATOM 0 HG2 PRO A 32 51.206 -10.770 -3.831 1.00 1.00 H new ATOM 0 HG3 PRO A 32 52.546 -9.655 -4.018 1.00 1.00 H new ATOM 0 HD2 PRO A 32 52.575 -12.143 -2.566 1.00 1.00 H new ATOM 0 HD3 PRO A 32 53.875 -10.971 -2.652 1.00 1.00 H new ATOM 460 N ALA A 33 50.250 -11.857 -0.163 1.00 1.00 N ATOM 461 CA ALA A 33 49.132 -12.743 0.151 1.00 1.00 C ATOM 462 C ALA A 33 49.065 -13.008 1.652 1.00 1.00 C ATOM 463 O ALA A 33 48.288 -13.846 2.109 1.00 1.00 O ATOM 464 CB ALA A 33 49.294 -14.068 -0.595 1.00 1.00 C ATOM 0 H ALA A 33 51.169 -12.238 0.063 1.00 1.00 H new ATOM 0 HA ALA A 33 48.207 -12.259 -0.163 1.00 1.00 H new ATOM 0 HB1 ALA A 33 48.457 -14.724 -0.357 1.00 1.00 H new ATOM 0 HB2 ALA A 33 49.314 -13.881 -1.669 1.00 1.00 H new ATOM 0 HB3 ALA A 33 50.226 -14.544 -0.292 1.00 1.00 H new ATOM 470 N ILE A 34 49.881 -12.287 2.414 1.00 1.00 N ATOM 471 CA ILE A 34 49.904 -12.453 3.863 1.00 1.00 C ATOM 472 C ILE A 34 50.001 -11.098 4.556 1.00 1.00 C ATOM 473 O ILE A 34 49.303 -10.841 5.537 1.00 1.00 O ATOM 474 CB ILE A 34 51.093 -13.324 4.274 1.00 1.00 C ATOM 475 CG1 ILE A 34 51.852 -13.773 3.021 1.00 1.00 C ATOM 476 CG2 ILE A 34 50.588 -14.553 5.034 1.00 1.00 C ATOM 477 CD1 ILE A 34 53.047 -14.639 3.430 1.00 1.00 C ATOM 0 H ILE A 34 50.531 -11.587 2.056 1.00 1.00 H new ATOM 0 HA ILE A 34 48.977 -12.940 4.167 1.00 1.00 H new ATOM 0 HB ILE A 34 51.760 -12.750 4.917 1.00 1.00 H new ATOM 0 HG12 ILE A 34 51.189 -14.336 2.364 1.00 1.00 H new ATOM 0 HG13 ILE A 34 52.195 -12.904 2.459 1.00 1.00 H new ATOM 0 HG21 ILE A 34 51.435 -15.173 5.327 1.00 1.00 H new ATOM 0 HG22 ILE A 34 50.048 -14.233 5.925 1.00 1.00 H new ATOM 0 HG23 ILE A 34 49.921 -15.129 4.392 1.00 1.00 H new ATOM 0 HD11 ILE A 34 53.587 -14.958 2.539 1.00 1.00 H new ATOM 0 HD12 ILE A 34 53.713 -14.061 4.070 1.00 1.00 H new ATOM 0 HD13 ILE A 34 52.693 -15.515 3.973 1.00 1.00 H new ATOM 489 N TYR A 35 50.871 -10.236 4.040 1.00 1.00 N ATOM 490 CA TYR A 35 51.051 -8.909 4.619 1.00 1.00 C ATOM 491 C TYR A 35 49.776 -8.084 4.482 1.00 1.00 C ATOM 492 O TYR A 35 49.744 -6.910 4.848 1.00 1.00 O ATOM 493 CB TYR A 35 52.206 -8.188 3.920 1.00 1.00 C ATOM 494 CG TYR A 35 53.480 -8.400 4.701 1.00 1.00 C ATOM 495 CD1 TYR A 35 54.288 -9.513 4.436 1.00 1.00 C ATOM 496 CD2 TYR A 35 53.853 -7.486 5.693 1.00 1.00 C ATOM 497 CE1 TYR A 35 55.468 -9.710 5.160 1.00 1.00 C ATOM 498 CE2 TYR A 35 55.034 -7.683 6.419 1.00 1.00 C ATOM 499 CZ TYR A 35 55.842 -8.795 6.152 1.00 1.00 C ATOM 500 OH TYR A 35 57.006 -8.989 6.866 1.00 1.00 O ATOM 0 H TYR A 35 51.458 -10.430 3.229 1.00 1.00 H new ATOM 0 HA TYR A 35 51.281 -9.024 5.678 1.00 1.00 H new ATOM 0 HB2 TYR A 35 52.323 -8.566 2.904 1.00 1.00 H new ATOM 0 HB3 TYR A 35 51.989 -7.123 3.841 1.00 1.00 H new ATOM 0 HD1 TYR A 35 53.999 -10.220 3.672 1.00 1.00 H new ATOM 0 HD2 TYR A 35 53.230 -6.628 5.899 1.00 1.00 H new ATOM 0 HE1 TYR A 35 56.091 -10.568 4.954 1.00 1.00 H new ATOM 0 HE2 TYR A 35 55.322 -6.978 7.185 1.00 1.00 H new ATOM 0 HH TYR A 35 57.117 -8.262 7.514 1.00 1.00 H new ATOM 510 N MET A 36 48.727 -8.706 3.953 1.00 1.00 N ATOM 511 CA MET A 36 47.454 -8.017 3.773 1.00 1.00 C ATOM 512 C MET A 36 46.479 -8.392 4.884 1.00 1.00 C ATOM 513 O MET A 36 45.845 -7.524 5.485 1.00 1.00 O ATOM 514 CB MET A 36 46.850 -8.383 2.416 1.00 1.00 C ATOM 515 CG MET A 36 47.800 -7.947 1.299 1.00 1.00 C ATOM 516 SD MET A 36 47.539 -6.194 0.935 1.00 1.00 S ATOM 517 CE MET A 36 49.261 -5.781 0.566 1.00 1.00 C ATOM 0 H MET A 36 48.732 -9.678 3.644 1.00 1.00 H new ATOM 0 HA MET A 36 47.635 -6.943 3.812 1.00 1.00 H new ATOM 0 HB2 MET A 36 46.677 -9.458 2.361 1.00 1.00 H new ATOM 0 HB3 MET A 36 45.882 -7.897 2.294 1.00 1.00 H new ATOM 0 HG2 MET A 36 48.834 -8.117 1.599 1.00 1.00 H new ATOM 0 HG3 MET A 36 47.626 -8.545 0.405 1.00 1.00 H new ATOM 0 HE1 MET A 36 49.335 -4.724 0.310 1.00 1.00 H new ATOM 0 HE2 MET A 36 49.880 -5.987 1.439 1.00 1.00 H new ATOM 0 HE3 MET A 36 49.608 -6.383 -0.274 1.00 1.00 H new ATOM 527 N LEU A 37 46.364 -9.689 5.152 1.00 1.00 N ATOM 528 CA LEU A 37 45.462 -10.166 6.194 1.00 1.00 C ATOM 529 C LEU A 37 46.228 -10.432 7.486 1.00 1.00 C ATOM 530 O LEU A 37 45.830 -11.273 8.291 1.00 1.00 O ATOM 531 CB LEU A 37 44.769 -11.450 5.735 1.00 1.00 C ATOM 532 CG LEU A 37 44.271 -11.279 4.299 1.00 1.00 C ATOM 533 CD1 LEU A 37 45.185 -12.052 3.347 1.00 1.00 C ATOM 534 CD2 LEU A 37 42.845 -11.819 4.187 1.00 1.00 C ATOM 0 H LEU A 37 46.880 -10.423 4.666 1.00 1.00 H new ATOM 0 HA LEU A 37 44.714 -9.396 6.382 1.00 1.00 H new ATOM 0 HB2 LEU A 37 45.462 -12.290 5.793 1.00 1.00 H new ATOM 0 HB3 LEU A 37 43.933 -11.680 6.396 1.00 1.00 H new ATOM 0 HG LEU A 37 44.281 -10.222 4.034 1.00 1.00 H new ATOM 0 HD11 LEU A 37 44.831 -11.930 2.323 1.00 1.00 H new ATOM 0 HD12 LEU A 37 46.202 -11.668 3.427 1.00 1.00 H new ATOM 0 HD13 LEU A 37 45.175 -13.109 3.611 1.00 1.00 H new ATOM 0 HD21 LEU A 37 42.489 -11.698 3.164 1.00 1.00 H new ATOM 0 HD22 LEU A 37 42.834 -12.876 4.452 1.00 1.00 H new ATOM 0 HD23 LEU A 37 42.193 -11.269 4.866 1.00 1.00 H new ATOM 546 N VAL A 38 47.327 -9.710 7.676 1.00 1.00 N ATOM 547 CA VAL A 38 48.140 -9.878 8.875 1.00 1.00 C ATOM 548 C VAL A 38 48.764 -8.548 9.289 1.00 1.00 C ATOM 549 O VAL A 38 49.199 -8.385 10.429 1.00 1.00 O ATOM 550 CB VAL A 38 49.245 -10.903 8.618 1.00 1.00 C ATOM 551 CG1 VAL A 38 50.093 -11.074 9.880 1.00 1.00 C ATOM 552 CG2 VAL A 38 48.614 -12.246 8.243 1.00 1.00 C ATOM 0 H VAL A 38 47.673 -9.009 7.021 1.00 1.00 H new ATOM 0 HA VAL A 38 47.497 -10.232 9.681 1.00 1.00 H new ATOM 0 HB VAL A 38 49.879 -10.555 7.802 1.00 1.00 H new ATOM 0 HG11 VAL A 38 50.880 -11.805 9.694 1.00 1.00 H new ATOM 0 HG12 VAL A 38 50.542 -10.118 10.149 1.00 1.00 H new ATOM 0 HG13 VAL A 38 49.462 -11.421 10.698 1.00 1.00 H new ATOM 0 HG21 VAL A 38 49.400 -12.979 8.059 1.00 1.00 H new ATOM 0 HG22 VAL A 38 47.980 -12.591 9.060 1.00 1.00 H new ATOM 0 HG23 VAL A 38 48.012 -12.126 7.342 1.00 1.00 H new ATOM 562 N PHE A 39 48.806 -7.604 8.356 1.00 1.00 N ATOM 563 CA PHE A 39 49.380 -6.293 8.637 1.00 1.00 C ATOM 564 C PHE A 39 48.288 -5.296 9.012 1.00 1.00 C ATOM 565 O PHE A 39 48.572 -4.140 9.325 1.00 1.00 O ATOM 566 CB PHE A 39 50.139 -5.783 7.410 1.00 1.00 C ATOM 567 CG PHE A 39 51.039 -4.639 7.815 1.00 1.00 C ATOM 568 CD1 PHE A 39 52.295 -4.900 8.374 1.00 1.00 C ATOM 569 CD2 PHE A 39 50.615 -3.317 7.631 1.00 1.00 C ATOM 570 CE1 PHE A 39 53.128 -3.840 8.750 1.00 1.00 C ATOM 571 CE2 PHE A 39 51.448 -2.257 8.007 1.00 1.00 C ATOM 572 CZ PHE A 39 52.704 -2.518 8.566 1.00 1.00 C ATOM 0 H PHE A 39 48.453 -7.720 7.406 1.00 1.00 H new ATOM 0 HA PHE A 39 50.068 -6.392 9.477 1.00 1.00 H new ATOM 0 HB2 PHE A 39 50.730 -6.588 6.974 1.00 1.00 H new ATOM 0 HB3 PHE A 39 49.436 -5.454 6.645 1.00 1.00 H new ATOM 0 HD1 PHE A 39 52.622 -5.920 8.515 1.00 1.00 H new ATOM 0 HD2 PHE A 39 49.646 -3.116 7.199 1.00 1.00 H new ATOM 0 HE1 PHE A 39 54.097 -4.041 9.182 1.00 1.00 H new ATOM 0 HE2 PHE A 39 51.121 -1.237 7.866 1.00 1.00 H new ATOM 0 HZ PHE A 39 53.347 -1.700 8.856 1.00 1.00 H new ATOM 582 N LEU A 40 47.039 -5.755 8.978 1.00 1.00 N ATOM 583 CA LEU A 40 45.904 -4.900 9.315 1.00 1.00 C ATOM 584 C LEU A 40 45.212 -5.404 10.578 1.00 1.00 C ATOM 585 O LEU A 40 43.984 -5.400 10.667 1.00 1.00 O ATOM 586 CB LEU A 40 44.904 -4.882 8.158 1.00 1.00 C ATOM 587 CG LEU A 40 45.642 -4.590 6.850 1.00 1.00 C ATOM 588 CD1 LEU A 40 44.644 -4.585 5.691 1.00 1.00 C ATOM 589 CD2 LEU A 40 46.321 -3.221 6.942 1.00 1.00 C ATOM 0 H LEU A 40 46.788 -6.710 8.722 1.00 1.00 H new ATOM 0 HA LEU A 40 46.273 -3.890 9.493 1.00 1.00 H new ATOM 0 HB2 LEU A 40 44.391 -5.841 8.092 1.00 1.00 H new ATOM 0 HB3 LEU A 40 44.141 -4.124 8.335 1.00 1.00 H new ATOM 0 HG LEU A 40 46.395 -5.359 6.679 1.00 1.00 H new ATOM 0 HD11 LEU A 40 45.170 -4.377 4.759 1.00 1.00 H new ATOM 0 HD12 LEU A 40 44.159 -5.559 5.624 1.00 1.00 H new ATOM 0 HD13 LEU A 40 43.891 -3.816 5.862 1.00 1.00 H new ATOM 0 HD21 LEU A 40 46.847 -3.012 6.010 1.00 1.00 H new ATOM 0 HD22 LEU A 40 45.568 -2.452 7.113 1.00 1.00 H new ATOM 0 HD23 LEU A 40 47.032 -3.222 7.768 1.00 1.00 H new ATOM 601 N LEU A 41 46.005 -5.835 11.552 1.00 1.00 N ATOM 602 CA LEU A 41 45.456 -6.339 12.806 1.00 1.00 C ATOM 603 C LEU A 41 46.569 -6.627 13.808 1.00 1.00 C ATOM 604 O LEU A 41 46.419 -6.373 15.004 1.00 1.00 O ATOM 605 CB LEU A 41 44.646 -7.615 12.554 1.00 1.00 C ATOM 606 CG LEU A 41 45.452 -8.588 11.689 1.00 1.00 C ATOM 607 CD1 LEU A 41 45.568 -9.933 12.408 1.00 1.00 C ATOM 608 CD2 LEU A 41 44.737 -8.789 10.351 1.00 1.00 C ATOM 0 H LEU A 41 47.024 -5.846 11.499 1.00 1.00 H new ATOM 0 HA LEU A 41 44.802 -5.573 13.222 1.00 1.00 H new ATOM 0 HB2 LEU A 41 44.390 -8.086 13.503 1.00 1.00 H new ATOM 0 HB3 LEU A 41 43.707 -7.367 12.058 1.00 1.00 H new ATOM 0 HG LEU A 41 46.448 -8.181 11.515 1.00 1.00 H new ATOM 0 HD11 LEU A 41 46.142 -10.626 11.793 1.00 1.00 H new ATOM 0 HD12 LEU A 41 46.073 -9.792 13.364 1.00 1.00 H new ATOM 0 HD13 LEU A 41 44.572 -10.340 12.581 1.00 1.00 H new ATOM 0 HD21 LEU A 41 45.309 -9.481 9.733 1.00 1.00 H new ATOM 0 HD22 LEU A 41 43.742 -9.197 10.528 1.00 1.00 H new ATOM 0 HD23 LEU A 41 44.650 -7.831 9.837 1.00 1.00 H new ATOM 620 N GLY A 42 47.686 -7.150 13.316 1.00 1.00 N ATOM 621 CA GLY A 42 48.819 -7.457 14.182 1.00 1.00 C ATOM 622 C GLY A 42 49.789 -6.285 14.221 1.00 1.00 C ATOM 623 O GLY A 42 50.962 -6.444 14.558 1.00 1.00 O ATOM 0 H GLY A 42 47.832 -7.369 12.330 1.00 1.00 H new ATOM 0 HA2 GLY A 42 48.466 -7.679 15.189 1.00 1.00 H new ATOM 0 HA3 GLY A 42 49.330 -8.349 13.820 1.00 1.00 H new ATOM 627 N THR A 43 49.286 -5.107 13.869 1.00 1.00 N ATOM 628 CA THR A 43 50.106 -3.905 13.857 1.00 1.00 C ATOM 629 C THR A 43 49.224 -2.662 13.809 1.00 1.00 C ATOM 630 O THR A 43 48.931 -2.058 14.840 1.00 1.00 O ATOM 631 CB THR A 43 51.031 -3.923 12.638 1.00 1.00 C ATOM 632 OG1 THR A 43 51.242 -2.592 12.186 1.00 1.00 O ATOM 633 CG2 THR A 43 50.388 -4.747 11.521 1.00 1.00 C ATOM 0 H THR A 43 48.316 -4.961 13.589 1.00 1.00 H new ATOM 0 HA THR A 43 50.703 -3.880 14.768 1.00 1.00 H new ATOM 0 HB THR A 43 51.987 -4.370 12.912 1.00 1.00 H new ATOM 0 HG1 THR A 43 51.836 -2.602 11.406 1.00 1.00 H new ATOM 0 HG21 THR A 43 51.047 -4.760 10.653 1.00 1.00 H new ATOM 0 HG22 THR A 43 50.226 -5.767 11.869 1.00 1.00 H new ATOM 0 HG23 THR A 43 49.432 -4.302 11.245 1.00 1.00 H new ATOM 641 N THR A 44 48.801 -2.291 12.605 1.00 1.00 N ATOM 642 CA THR A 44 47.948 -1.121 12.432 1.00 1.00 C ATOM 643 C THR A 44 48.439 0.037 13.297 1.00 1.00 C ATOM 644 O THR A 44 47.691 0.972 13.583 1.00 1.00 O ATOM 645 CB THR A 44 46.505 -1.467 12.807 1.00 1.00 C ATOM 646 OG1 THR A 44 46.241 -1.017 14.129 1.00 1.00 O ATOM 647 CG2 THR A 44 46.304 -2.982 12.731 1.00 1.00 C ATOM 0 H THR A 44 49.033 -2.780 11.740 1.00 1.00 H new ATOM 0 HA THR A 44 47.989 -0.818 11.386 1.00 1.00 H new ATOM 0 HB THR A 44 45.821 -0.978 12.113 1.00 1.00 H new ATOM 0 HG1 THR A 44 46.341 -0.043 14.169 1.00 1.00 H new ATOM 0 HG21 THR A 44 45.276 -3.227 12.998 1.00 1.00 H new ATOM 0 HG22 THR A 44 46.507 -3.325 11.717 1.00 1.00 H new ATOM 0 HG23 THR A 44 46.986 -3.475 13.424 1.00 1.00 H new ATOM 655 N GLY A 45 49.701 -0.033 13.709 1.00 1.00 N ATOM 656 CA GLY A 45 50.282 1.016 14.540 1.00 1.00 C ATOM 657 C GLY A 45 49.525 1.150 15.857 1.00 1.00 C ATOM 658 O GLY A 45 49.715 2.116 16.595 1.00 1.00 O ATOM 0 H GLY A 45 50.336 -0.798 13.483 1.00 1.00 H new ATOM 0 HA2 GLY A 45 51.329 0.789 14.740 1.00 1.00 H new ATOM 0 HA3 GLY A 45 50.258 1.965 14.004 1.00 1.00 H new ATOM 662 N ASN A 46 48.668 0.173 16.141 1.00 1.00 N ATOM 663 CA ASN A 46 47.883 0.184 17.372 1.00 1.00 C ATOM 664 C ASN A 46 48.043 -1.137 18.116 1.00 1.00 C ATOM 665 O ASN A 46 47.551 -1.296 19.233 1.00 1.00 O ATOM 666 CB ASN A 46 46.407 0.413 17.047 1.00 1.00 C ATOM 667 CG ASN A 46 45.571 -0.746 17.578 1.00 1.00 C ATOM 668 OD1 ASN A 46 45.264 -0.797 18.769 1.00 1.00 O ATOM 669 ND2 ASN A 46 45.184 -1.688 16.761 1.00 1.00 N ATOM 0 H ASN A 46 48.500 -0.633 15.539 1.00 1.00 H new ATOM 0 HA ASN A 46 48.244 0.993 18.007 1.00 1.00 H new ATOM 0 HB2 ASN A 46 46.069 1.349 17.491 1.00 1.00 H new ATOM 0 HB3 ASN A 46 46.273 0.505 15.969 1.00 1.00 H new ATOM 0 HD21 ASN A 46 44.626 -2.468 17.109 1.00 1.00 H new ATOM 0 HD22 ASN A 46 45.439 -1.644 15.774 1.00 1.00 H new ATOM 676 N GLY A 47 48.733 -2.083 17.487 1.00 1.00 N ATOM 677 CA GLY A 47 48.953 -3.389 18.098 1.00 1.00 C ATOM 678 C GLY A 47 50.217 -3.385 18.951 1.00 1.00 C ATOM 679 O GLY A 47 50.305 -4.103 19.947 1.00 1.00 O ATOM 0 H GLY A 47 49.147 -1.971 16.561 1.00 1.00 H new ATOM 0 HA2 GLY A 47 48.094 -3.656 18.714 1.00 1.00 H new ATOM 0 HA3 GLY A 47 49.036 -4.149 17.321 1.00 1.00 H new ATOM 683 N LEU A 48 51.191 -2.570 18.551 1.00 1.00 N ATOM 684 CA LEU A 48 52.452 -2.472 19.283 1.00 1.00 C ATOM 685 C LEU A 48 52.664 -1.050 19.795 1.00 1.00 C ATOM 686 O LEU A 48 53.794 -0.638 20.056 1.00 1.00 O ATOM 687 CB LEU A 48 53.629 -2.869 18.381 1.00 1.00 C ATOM 688 CG LEU A 48 53.117 -3.426 17.049 1.00 1.00 C ATOM 689 CD1 LEU A 48 54.307 -3.751 16.146 1.00 1.00 C ATOM 690 CD2 LEU A 48 52.312 -4.705 17.300 1.00 1.00 C ATOM 0 H LEU A 48 51.132 -1.970 17.728 1.00 1.00 H new ATOM 0 HA LEU A 48 52.404 -3.155 20.131 1.00 1.00 H new ATOM 0 HB2 LEU A 48 54.265 -2.002 18.200 1.00 1.00 H new ATOM 0 HB3 LEU A 48 54.244 -3.616 18.883 1.00 1.00 H new ATOM 0 HG LEU A 48 52.480 -2.684 16.568 1.00 1.00 H new ATOM 0 HD11 LEU A 48 53.946 -4.148 15.197 1.00 1.00 H new ATOM 0 HD12 LEU A 48 54.884 -2.844 15.964 1.00 1.00 H new ATOM 0 HD13 LEU A 48 54.941 -4.493 16.632 1.00 1.00 H new ATOM 0 HD21 LEU A 48 51.949 -5.099 16.351 1.00 1.00 H new ATOM 0 HD22 LEU A 48 52.949 -5.447 17.781 1.00 1.00 H new ATOM 0 HD23 LEU A 48 51.464 -4.480 17.947 1.00 1.00 H new ATOM 702 N VAL A 49 51.569 -0.307 19.935 1.00 1.00 N ATOM 703 CA VAL A 49 51.641 1.069 20.417 1.00 1.00 C ATOM 704 C VAL A 49 50.672 1.284 21.574 1.00 1.00 C ATOM 705 O VAL A 49 51.068 1.722 22.655 1.00 1.00 O ATOM 706 CB VAL A 49 51.303 2.037 19.282 1.00 1.00 C ATOM 707 CG1 VAL A 49 51.347 3.474 19.804 1.00 1.00 C ATOM 708 CG2 VAL A 49 52.325 1.874 18.154 1.00 1.00 C ATOM 0 H VAL A 49 50.626 -0.633 19.723 1.00 1.00 H new ATOM 0 HA VAL A 49 52.656 1.258 20.768 1.00 1.00 H new ATOM 0 HB VAL A 49 50.304 1.819 18.905 1.00 1.00 H new ATOM 0 HG11 VAL A 49 51.106 4.163 18.994 1.00 1.00 H new ATOM 0 HG12 VAL A 49 50.621 3.591 20.608 1.00 1.00 H new ATOM 0 HG13 VAL A 49 52.346 3.693 20.182 1.00 1.00 H new ATOM 0 HG21 VAL A 49 52.086 2.563 17.344 1.00 1.00 H new ATOM 0 HG22 VAL A 49 53.323 2.092 18.533 1.00 1.00 H new ATOM 0 HG23 VAL A 49 52.294 0.850 17.780 1.00 1.00 H new ATOM 718 N LEU A 50 49.401 0.974 21.342 1.00 1.00 N ATOM 719 CA LEU A 50 48.384 1.137 22.374 1.00 1.00 C ATOM 720 C LEU A 50 48.151 -0.179 23.108 1.00 1.00 C ATOM 721 O LEU A 50 48.164 -0.226 24.337 1.00 1.00 O ATOM 722 CB LEU A 50 47.073 1.613 21.744 1.00 1.00 C ATOM 723 CG LEU A 50 45.992 1.708 22.822 1.00 1.00 C ATOM 724 CD1 LEU A 50 45.223 3.019 22.659 1.00 1.00 C ATOM 725 CD2 LEU A 50 45.026 0.530 22.680 1.00 1.00 C ATOM 0 H LEU A 50 49.052 0.611 20.455 1.00 1.00 H new ATOM 0 HA LEU A 50 48.734 1.881 23.089 1.00 1.00 H new ATOM 0 HB2 LEU A 50 47.216 2.585 21.272 1.00 1.00 H new ATOM 0 HB3 LEU A 50 46.761 0.921 20.962 1.00 1.00 H new ATOM 0 HG LEU A 50 46.458 1.680 23.807 1.00 1.00 H new ATOM 0 HD11 LEU A 50 44.453 3.087 23.427 1.00 1.00 H new ATOM 0 HD12 LEU A 50 45.910 3.859 22.759 1.00 1.00 H new ATOM 0 HD13 LEU A 50 44.757 3.047 21.674 1.00 1.00 H new ATOM 0 HD21 LEU A 50 44.255 0.597 23.448 1.00 1.00 H new ATOM 0 HD22 LEU A 50 44.560 0.558 21.695 1.00 1.00 H new ATOM 0 HD23 LEU A 50 45.573 -0.405 22.796 1.00 1.00 H new ATOM 737 N TRP A 51 47.941 -1.245 22.344 1.00 1.00 N ATOM 738 CA TRP A 51 47.708 -2.560 22.930 1.00 1.00 C ATOM 739 C TRP A 51 48.685 -2.819 24.073 1.00 1.00 C ATOM 740 O TRP A 51 48.453 -3.688 24.914 1.00 1.00 O ATOM 741 CB TRP A 51 47.871 -3.640 21.859 1.00 1.00 C ATOM 742 CG TRP A 51 48.656 -4.784 22.417 1.00 1.00 C ATOM 743 CD1 TRP A 51 48.130 -5.963 22.821 1.00 1.00 C ATOM 744 CD2 TRP A 51 50.093 -4.880 22.639 1.00 1.00 C ATOM 745 NE1 TRP A 51 49.152 -6.777 23.276 1.00 1.00 N ATOM 746 CE2 TRP A 51 50.381 -6.153 23.184 1.00 1.00 C ATOM 747 CE3 TRP A 51 51.164 -3.994 22.422 1.00 1.00 C ATOM 748 CZ2 TRP A 51 51.685 -6.534 23.503 1.00 1.00 C ATOM 749 CZ3 TRP A 51 52.478 -4.374 22.742 1.00 1.00 C ATOM 750 CH2 TRP A 51 52.737 -5.642 23.281 1.00 1.00 C ATOM 0 H TRP A 51 47.927 -1.226 21.324 1.00 1.00 H new ATOM 0 HA TRP A 51 46.693 -2.589 23.325 1.00 1.00 H new ATOM 0 HB2 TRP A 51 46.893 -3.986 21.525 1.00 1.00 H new ATOM 0 HB3 TRP A 51 48.379 -3.228 20.987 1.00 1.00 H new ATOM 0 HD1 TRP A 51 47.083 -6.226 22.793 1.00 1.00 H new ATOM 0 HE1 TRP A 51 49.015 -7.722 23.635 1.00 1.00 H new ATOM 0 HE3 TRP A 51 50.975 -3.015 22.007 1.00 1.00 H new ATOM 0 HZ2 TRP A 51 51.880 -7.512 23.919 1.00 1.00 H new ATOM 0 HZ3 TRP A 51 53.293 -3.686 22.572 1.00 1.00 H new ATOM 0 HH2 TRP A 51 53.749 -5.929 23.524 1.00 1.00 H new ATOM 761 N THR A 52 49.775 -2.061 24.097 1.00 1.00 N ATOM 762 CA THR A 52 50.780 -2.217 25.142 1.00 1.00 C ATOM 763 C THR A 52 50.331 -1.524 26.425 1.00 1.00 C ATOM 764 O THR A 52 51.148 -1.231 27.298 1.00 1.00 O ATOM 765 CB THR A 52 52.112 -1.624 24.679 1.00 1.00 C ATOM 766 OG1 THR A 52 53.167 -2.167 25.459 1.00 1.00 O ATOM 767 CG2 THR A 52 52.082 -0.103 24.844 1.00 1.00 C ATOM 0 H THR A 52 49.985 -1.337 23.410 1.00 1.00 H new ATOM 0 HA THR A 52 50.906 -3.281 25.342 1.00 1.00 H new ATOM 0 HB THR A 52 52.273 -1.869 23.629 1.00 1.00 H new ATOM 0 HG1 THR A 52 52.975 -2.029 26.410 1.00 1.00 H new ATOM 0 HG21 THR A 52 53.032 0.318 24.514 1.00 1.00 H new ATOM 0 HG22 THR A 52 51.273 0.312 24.243 1.00 1.00 H new ATOM 0 HG23 THR A 52 51.920 0.146 25.893 1.00 1.00 H new ATOM 775 N VAL A 53 49.030 -1.265 26.527 1.00 1.00 N ATOM 776 CA VAL A 53 48.475 -0.606 27.706 1.00 1.00 C ATOM 777 C VAL A 53 47.357 -1.448 28.312 1.00 1.00 C ATOM 778 O VAL A 53 47.127 -1.414 29.520 1.00 1.00 O ATOM 779 CB VAL A 53 47.929 0.771 27.325 1.00 1.00 C ATOM 780 CG1 VAL A 53 47.483 1.512 28.587 1.00 1.00 C ATOM 781 CG2 VAL A 53 49.025 1.576 26.623 1.00 1.00 C ATOM 0 H VAL A 53 48.343 -1.500 25.811 1.00 1.00 H new ATOM 0 HA VAL A 53 49.269 -0.491 28.443 1.00 1.00 H new ATOM 0 HB VAL A 53 47.078 0.651 26.655 1.00 1.00 H new ATOM 0 HG11 VAL A 53 47.094 2.493 28.315 1.00 1.00 H new ATOM 0 HG12 VAL A 53 46.703 0.939 29.089 1.00 1.00 H new ATOM 0 HG13 VAL A 53 48.334 1.632 29.258 1.00 1.00 H new ATOM 0 HG21 VAL A 53 48.638 2.558 26.351 1.00 1.00 H new ATOM 0 HG22 VAL A 53 49.876 1.695 27.294 1.00 1.00 H new ATOM 0 HG23 VAL A 53 49.344 1.049 25.723 1.00 1.00 H new ATOM 791 N PHE A 54 46.666 -2.203 27.464 1.00 1.00 N ATOM 792 CA PHE A 54 45.574 -3.052 27.926 1.00 1.00 C ATOM 793 C PHE A 54 46.023 -4.507 27.998 1.00 1.00 C ATOM 794 O PHE A 54 45.276 -5.375 28.454 1.00 1.00 O ATOM 795 CB PHE A 54 44.381 -2.931 26.975 1.00 1.00 C ATOM 796 CG PHE A 54 44.062 -4.287 26.393 1.00 1.00 C ATOM 797 CD1 PHE A 54 44.746 -4.740 25.258 1.00 1.00 C ATOM 798 CD2 PHE A 54 43.083 -5.091 26.988 1.00 1.00 C ATOM 799 CE1 PHE A 54 44.451 -5.997 24.718 1.00 1.00 C ATOM 800 CE2 PHE A 54 42.787 -6.349 26.448 1.00 1.00 C ATOM 801 CZ PHE A 54 43.471 -6.802 25.314 1.00 1.00 C ATOM 0 H PHE A 54 46.841 -2.244 26.460 1.00 1.00 H new ATOM 0 HA PHE A 54 45.279 -2.724 28.923 1.00 1.00 H new ATOM 0 HB2 PHE A 54 43.515 -2.540 27.509 1.00 1.00 H new ATOM 0 HB3 PHE A 54 44.609 -2.225 26.176 1.00 1.00 H new ATOM 0 HD1 PHE A 54 45.501 -4.119 24.799 1.00 1.00 H new ATOM 0 HD2 PHE A 54 42.556 -4.741 27.863 1.00 1.00 H new ATOM 0 HE1 PHE A 54 44.978 -6.346 23.843 1.00 1.00 H new ATOM 0 HE2 PHE A 54 42.031 -6.969 26.907 1.00 1.00 H new ATOM 0 HZ PHE A 54 43.243 -7.772 24.898 1.00 1.00 H new ATOM 811 N ARG A 55 47.244 -4.768 27.546 1.00 1.00 N ATOM 812 CA ARG A 55 47.784 -6.124 27.564 1.00 1.00 C ATOM 813 C ARG A 55 48.764 -6.297 28.721 1.00 1.00 C ATOM 814 O ARG A 55 48.739 -7.310 29.420 1.00 1.00 O ATOM 815 CB ARG A 55 48.495 -6.420 26.242 1.00 1.00 C ATOM 816 CG ARG A 55 48.743 -7.925 26.122 1.00 1.00 C ATOM 817 CD ARG A 55 47.561 -8.582 25.408 1.00 1.00 C ATOM 818 NE ARG A 55 47.761 -10.023 25.324 1.00 1.00 N ATOM 819 CZ ARG A 55 46.770 -10.836 24.968 1.00 1.00 C ATOM 820 NH1 ARG A 55 45.593 -10.345 24.689 1.00 1.00 N ATOM 821 NH2 ARG A 55 46.973 -12.122 24.901 1.00 1.00 N ATOM 0 H ARG A 55 47.876 -4.064 27.165 1.00 1.00 H new ATOM 0 HA ARG A 55 46.957 -6.822 27.697 1.00 1.00 H new ATOM 0 HB2 ARG A 55 47.889 -6.073 25.405 1.00 1.00 H new ATOM 0 HB3 ARG A 55 49.441 -5.880 26.197 1.00 1.00 H new ATOM 0 HG2 ARG A 55 49.664 -8.109 25.569 1.00 1.00 H new ATOM 0 HG3 ARG A 55 48.873 -8.363 27.112 1.00 1.00 H new ATOM 0 HD2 ARG A 55 46.637 -8.367 25.945 1.00 1.00 H new ATOM 0 HD3 ARG A 55 47.453 -8.164 24.407 1.00 1.00 H new ATOM 0 HE ARG A 55 48.677 -10.415 25.542 1.00 1.00 H new ATOM 0 HH11 ARG A 55 45.434 -9.339 24.744 1.00 1.00 H new ATOM 0 HH12 ARG A 55 44.832 -10.967 24.416 1.00 1.00 H new ATOM 0 HH21 ARG A 55 47.892 -12.505 25.122 1.00 1.00 H new ATOM 0 HH22 ARG A 55 46.213 -12.745 24.628 1.00 1.00 H new ATOM 835 N LYS A 56 49.626 -5.305 28.915 1.00 1.00 N ATOM 836 CA LYS A 56 50.610 -5.360 29.989 1.00 1.00 C ATOM 837 C LYS A 56 49.922 -5.573 31.335 1.00 1.00 C ATOM 838 O LYS A 56 50.497 -6.164 32.249 1.00 1.00 O ATOM 839 CB LYS A 56 51.417 -4.062 30.025 1.00 1.00 C ATOM 840 CG LYS A 56 50.469 -2.871 30.185 1.00 1.00 C ATOM 841 CD LYS A 56 50.663 -2.246 31.568 1.00 1.00 C ATOM 842 CE LYS A 56 49.748 -1.028 31.709 1.00 1.00 C ATOM 843 NZ LYS A 56 49.172 -0.997 33.083 1.00 1.00 N ATOM 0 H LYS A 56 49.663 -4.459 28.347 1.00 1.00 H new ATOM 0 HA LYS A 56 51.281 -6.198 29.800 1.00 1.00 H new ATOM 0 HB2 LYS A 56 52.128 -4.087 30.851 1.00 1.00 H new ATOM 0 HB3 LYS A 56 51.997 -3.957 29.108 1.00 1.00 H new ATOM 0 HG2 LYS A 56 50.664 -2.131 29.409 1.00 1.00 H new ATOM 0 HG3 LYS A 56 49.436 -3.196 30.063 1.00 1.00 H new ATOM 0 HD2 LYS A 56 50.436 -2.977 32.344 1.00 1.00 H new ATOM 0 HD3 LYS A 56 51.703 -1.950 31.703 1.00 1.00 H new ATOM 0 HE2 LYS A 56 50.310 -0.114 31.518 1.00 1.00 H new ATOM 0 HE3 LYS A 56 48.949 -1.072 30.969 1.00 1.00 H new ATOM 0 HZ1 LYS A 56 48.300 -0.430 33.081 1.00 1.00 H new ATOM 0 HZ2 LYS A 56 48.954 -1.966 33.390 1.00 1.00 H new ATOM 0 HZ3 LYS A 56 49.859 -0.573 33.738 1.00 1.00 H new ATOM 857 N LYS A 57 48.691 -5.087 31.449 1.00 1.00 N ATOM 858 CA LYS A 57 47.937 -5.229 32.689 1.00 1.00 C ATOM 859 C LYS A 57 47.771 -6.702 33.050 1.00 1.00 C ATOM 860 O LYS A 57 47.411 -7.039 34.177 1.00 1.00 O ATOM 861 CB LYS A 57 46.558 -4.582 32.538 1.00 1.00 C ATOM 862 CG LYS A 57 46.715 -3.180 31.946 1.00 1.00 C ATOM 863 CD LYS A 57 45.839 -2.196 32.723 1.00 1.00 C ATOM 864 CE LYS A 57 45.770 -0.867 31.968 1.00 1.00 C ATOM 865 NZ LYS A 57 45.156 0.170 32.844 1.00 1.00 N ATOM 0 H LYS A 57 48.197 -4.595 30.704 1.00 1.00 H new ATOM 0 HA LYS A 57 48.488 -4.731 33.486 1.00 1.00 H new ATOM 0 HB2 LYS A 57 45.927 -5.192 31.892 1.00 1.00 H new ATOM 0 HB3 LYS A 57 46.063 -4.526 33.507 1.00 1.00 H new ATOM 0 HG2 LYS A 57 47.759 -2.869 31.993 1.00 1.00 H new ATOM 0 HG3 LYS A 57 46.430 -3.184 30.894 1.00 1.00 H new ATOM 0 HD2 LYS A 57 44.837 -2.607 32.850 1.00 1.00 H new ATOM 0 HD3 LYS A 57 46.248 -2.039 33.721 1.00 1.00 H new ATOM 0 HE2 LYS A 57 46.770 -0.557 31.664 1.00 1.00 H new ATOM 0 HE3 LYS A 57 45.182 -0.984 31.057 1.00 1.00 H new ATOM 0 HZ1 LYS A 57 45.109 1.074 32.331 1.00 1.00 H new ATOM 0 HZ2 LYS A 57 44.196 -0.126 33.112 1.00 1.00 H new ATOM 0 HZ3 LYS A 57 45.734 0.288 33.700 1.00 1.00 H new ATOM 879 N GLY A 58 48.040 -7.576 32.085 1.00 1.00 N ATOM 880 CA GLY A 58 47.918 -9.011 32.312 1.00 1.00 C ATOM 881 C GLY A 58 49.068 -9.767 31.656 1.00 1.00 C ATOM 882 O GLY A 58 50.204 -9.722 32.129 1.00 1.00 O ATOM 0 H GLY A 58 48.342 -7.318 31.145 1.00 1.00 H new ATOM 0 HA2 GLY A 58 47.908 -9.214 33.383 1.00 1.00 H new ATOM 0 HA3 GLY A 58 46.969 -9.367 31.912 1.00 1.00 H new ATOM 886 N HIS A 59 48.766 -10.461 30.563 1.00 1.00 N ATOM 887 CA HIS A 59 49.784 -11.224 29.849 1.00 1.00 C ATOM 888 C HIS A 59 50.169 -12.471 30.637 1.00 1.00 C ATOM 889 O HIS A 59 50.122 -13.585 30.114 1.00 1.00 O ATOM 890 CB HIS A 59 51.025 -10.356 29.624 1.00 1.00 C ATOM 891 CG HIS A 59 51.577 -10.616 28.249 1.00 1.00 C ATOM 892 ND1 HIS A 59 52.916 -10.893 28.031 1.00 1.00 N ATOM 893 CD2 HIS A 59 50.981 -10.644 27.012 1.00 1.00 C ATOM 894 CE1 HIS A 59 53.084 -11.074 26.708 1.00 1.00 C ATOM 895 NE2 HIS A 59 51.935 -10.933 26.040 1.00 1.00 N ATOM 0 H HIS A 59 47.833 -10.511 30.155 1.00 1.00 H new ATOM 0 HA HIS A 59 49.375 -11.529 28.886 1.00 1.00 H new ATOM 0 HB2 HIS A 59 50.769 -9.302 29.731 1.00 1.00 H new ATOM 0 HB3 HIS A 59 51.779 -10.579 30.378 1.00 1.00 H new ATOM 0 HD2 HIS A 59 49.932 -10.469 26.822 1.00 1.00 H new ATOM 0 HE1 HIS A 59 54.031 -11.305 26.243 1.00 1.00 H new ATOM 0 HE2 HIS A 59 51.789 -11.019 25.034 1.00 1.00 H new ATOM 903 N HIS A 60 50.550 -12.278 31.894 1.00 1.00 N ATOM 904 CA HIS A 60 50.942 -13.396 32.744 1.00 1.00 C ATOM 905 C HIS A 60 49.774 -14.356 32.938 1.00 1.00 C ATOM 906 O HIS A 60 49.970 -15.544 33.197 1.00 1.00 O ATOM 907 CB HIS A 60 51.411 -12.879 34.105 1.00 1.00 C ATOM 908 CG HIS A 60 52.214 -11.621 33.914 1.00 1.00 C ATOM 909 ND1 HIS A 60 51.733 -10.374 34.280 1.00 1.00 N ATOM 910 CD2 HIS A 60 53.468 -11.403 33.398 1.00 1.00 C ATOM 911 CE1 HIS A 60 52.683 -9.469 33.982 1.00 1.00 C ATOM 912 NE2 HIS A 60 53.761 -10.044 33.441 1.00 1.00 N ATOM 0 H HIS A 60 50.596 -11.364 32.345 1.00 1.00 H new ATOM 0 HA HIS A 60 51.759 -13.929 32.257 1.00 1.00 H new ATOM 0 HB2 HIS A 60 50.552 -12.681 34.746 1.00 1.00 H new ATOM 0 HB3 HIS A 60 52.015 -13.636 34.605 1.00 1.00 H new ATOM 0 HD2 HIS A 60 54.126 -12.170 33.017 1.00 1.00 H new ATOM 0 HE1 HIS A 60 52.586 -8.408 34.158 1.00 1.00 H new ATOM 0 HE2 HIS A 60 54.616 -9.585 33.127 1.00 1.00 H new ATOM 920 N HIS A 61 48.558 -13.835 32.811 1.00 1.00 N ATOM 921 CA HIS A 61 47.363 -14.656 32.975 1.00 1.00 C ATOM 922 C HIS A 61 47.450 -15.480 34.256 1.00 1.00 C ATOM 923 O HIS A 61 47.947 -16.606 34.250 1.00 1.00 O ATOM 924 CB HIS A 61 47.204 -15.591 31.775 1.00 1.00 C ATOM 925 CG HIS A 61 45.915 -16.355 31.902 1.00 1.00 C ATOM 926 ND1 HIS A 61 45.829 -17.712 31.630 1.00 1.00 N ATOM 927 CD2 HIS A 61 44.651 -15.967 32.272 1.00 1.00 C ATOM 928 CE1 HIS A 61 44.554 -18.087 31.837 1.00 1.00 C ATOM 929 NE2 HIS A 61 43.793 -17.062 32.231 1.00 1.00 N ATOM 0 H HIS A 61 48.374 -12.855 32.597 1.00 1.00 H new ATOM 0 HA HIS A 61 46.498 -13.996 33.039 1.00 1.00 H new ATOM 0 HB2 HIS A 61 47.208 -15.016 30.849 1.00 1.00 H new ATOM 0 HB3 HIS A 61 48.045 -16.282 31.725 1.00 1.00 H new ATOM 0 HD1 HIS A 61 46.593 -18.316 31.328 1.00 1.00 H new ATOM 0 HD2 HIS A 61 44.366 -14.964 32.552 1.00 1.00 H new ATOM 0 HE1 HIS A 61 44.190 -19.095 31.701 1.00 1.00 H new ATOM 937 N HIS A 62 46.965 -14.909 35.354 1.00 1.00 N ATOM 938 CA HIS A 62 46.993 -15.600 36.638 1.00 1.00 C ATOM 939 C HIS A 62 45.631 -16.215 36.946 1.00 1.00 C ATOM 940 O HIS A 62 44.919 -15.752 37.838 1.00 1.00 O ATOM 941 CB HIS A 62 47.377 -14.621 37.750 1.00 1.00 C ATOM 942 CG HIS A 62 48.767 -14.104 37.505 1.00 1.00 C ATOM 943 ND1 HIS A 62 49.090 -12.762 37.628 1.00 1.00 N ATOM 944 CD2 HIS A 62 49.931 -14.738 37.143 1.00 1.00 C ATOM 945 CE1 HIS A 62 50.399 -12.630 37.346 1.00 1.00 C ATOM 946 NE2 HIS A 62 50.960 -13.805 37.043 1.00 1.00 N ATOM 0 H HIS A 62 46.551 -13.977 35.381 1.00 1.00 H new ATOM 0 HA HIS A 62 47.735 -16.397 36.584 1.00 1.00 H new ATOM 0 HB2 HIS A 62 46.669 -13.792 37.780 1.00 1.00 H new ATOM 0 HB3 HIS A 62 47.328 -15.117 38.719 1.00 1.00 H new ATOM 0 HD2 HIS A 62 50.032 -15.798 36.963 1.00 1.00 H new ATOM 0 HE1 HIS A 62 50.931 -11.690 37.362 1.00 1.00 H new ATOM 0 HE2 HIS A 62 51.933 -13.981 36.792 1.00 1.00 H new ATOM 954 N HIS A 63 45.277 -17.258 36.203 1.00 1.00 N ATOM 955 CA HIS A 63 43.997 -17.927 36.406 1.00 1.00 C ATOM 956 C HIS A 63 44.182 -19.197 37.232 1.00 1.00 C ATOM 957 O HIS A 63 44.313 -20.291 36.683 1.00 1.00 O ATOM 958 CB HIS A 63 43.373 -18.281 35.055 1.00 1.00 C ATOM 959 CG HIS A 63 42.263 -19.275 35.261 1.00 1.00 C ATOM 960 ND1 HIS A 63 41.046 -18.921 35.820 1.00 1.00 N ATOM 961 CD2 HIS A 63 42.173 -20.618 34.987 1.00 1.00 C ATOM 962 CE1 HIS A 63 40.281 -20.027 35.865 1.00 1.00 C ATOM 963 NE2 HIS A 63 40.920 -21.091 35.369 1.00 1.00 N ATOM 0 H HIS A 63 45.853 -17.656 35.461 1.00 1.00 H new ATOM 0 HA HIS A 63 43.335 -17.249 36.945 1.00 1.00 H new ATOM 0 HB2 HIS A 63 42.986 -17.382 34.574 1.00 1.00 H new ATOM 0 HB3 HIS A 63 44.130 -18.698 34.391 1.00 1.00 H new ATOM 0 HD2 HIS A 63 42.955 -21.216 34.543 1.00 1.00 H new ATOM 0 HE1 HIS A 63 39.274 -20.052 36.254 1.00 1.00 H new ATOM 0 HE2 HIS A 63 40.566 -22.044 35.288 1.00 1.00 H new ATOM 971 N HIS A 64 44.193 -19.042 38.551 1.00 1.00 N ATOM 972 CA HIS A 64 44.362 -20.183 39.443 1.00 1.00 C ATOM 973 C HIS A 64 43.153 -21.109 39.365 1.00 1.00 C ATOM 974 O HIS A 64 42.992 -21.918 40.264 1.00 1.00 O ATOM 975 CB HIS A 64 44.545 -19.699 40.882 1.00 1.00 C ATOM 976 CG HIS A 64 45.282 -18.388 40.882 1.00 1.00 C ATOM 977 ND1 HIS A 64 44.660 -17.191 40.566 1.00 1.00 N ATOM 978 CD2 HIS A 64 46.589 -18.070 41.156 1.00 1.00 C ATOM 979 CE1 HIS A 64 45.584 -16.217 40.655 1.00 1.00 C ATOM 980 NE2 HIS A 64 46.778 -16.698 41.012 1.00 1.00 N ATOM 981 OXT HIS A 64 42.406 -20.996 38.407 1.00 1.00 O ATOM 0 H HIS A 64 44.088 -18.144 39.024 1.00 1.00 H new ATOM 0 HA HIS A 64 45.248 -20.735 39.131 1.00 1.00 H new ATOM 0 HB2 HIS A 64 43.574 -19.582 41.364 1.00 1.00 H new ATOM 0 HB3 HIS A 64 45.100 -20.440 41.458 1.00 1.00 H new ATOM 0 HD2 HIS A 64 47.355 -18.777 41.440 1.00 1.00 H new ATOM 0 HE1 HIS A 64 45.385 -15.173 40.461 1.00 1.00 H new ATOM 0 HE2 HIS A 64 47.642 -16.173 41.149 1.00 1.00 H new TER 989 HIS A 64