USER MOD reduce.3.24.130724 H: found=0, std=0, add=478, rem=0, adj=15 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= 1.66 USER MOD Set 1.2: A 46 ASN : amide:sc= -1.26 K(o=0.4,f=1.1) USER MOD Set 2.1: A 15 ASN : amide:sc= 0.527 K(o=-0.052,f=-5.2!) USER MOD Set 2.2: A 19 CYS SG : rot -109:sc= -0.579! USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -147:sc= 0.253 (180deg=-1.79!) USER MOD Single : A 9 ASN : amide:sc= -0.522 X(o=-0.52,f=-0.33) USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 TYR OH : rot 96:sc= 0.134 USER MOD Single : A 16 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 17 SER OG : rot 70:sc= 0.994 USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ -161:sc= -0.0432 (180deg=-0.488) USER MOD Single : A 26 SER OG : rot -159:sc= 0.945 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 MET CE :methyl -170:sc= -0.0373 (180deg=-0.109) USER MOD Single : A 43 THR OG1 : rot 180:sc= -1.16! USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 HIS : no HD1:sc= -0.742 K(o=-0.74,f=-0.19) USER MOD Single : A 60 HIS : no HD1:sc= -0.571 K(o=-0.57,f=0.029) USER MOD Single : A 61 HIS : no HD1:sc= -0.447 X(o=-0.45,f=-0.046) USER MOD Single : A 62 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 63 HIS : no HD1:sc= -1.23! C(o=-1.2!,f=-2!) USER MOD Single : A 64 HIS : no HD1:sc= -0.912 X(o=-0.91,f=-0.89) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 41.166 17.205 1.737 1.00 1.00 N ATOM 2 CA MET A 1 42.452 17.845 1.341 1.00 1.00 C ATOM 3 C MET A 1 43.254 16.877 0.477 1.00 1.00 C ATOM 4 O MET A 1 43.960 17.290 -0.443 1.00 1.00 O ATOM 5 CB MET A 1 43.247 18.206 2.597 1.00 1.00 C ATOM 6 CG MET A 1 42.305 18.800 3.645 1.00 1.00 C ATOM 7 SD MET A 1 41.889 17.533 4.870 1.00 1.00 S ATOM 8 CE MET A 1 43.363 17.723 5.902 1.00 1.00 C ATOM 0 H1 MET A 1 40.425 17.931 1.808 1.00 1.00 H new ATOM 0 H2 MET A 1 40.894 16.501 1.022 1.00 1.00 H new ATOM 0 H3 MET A 1 41.281 16.736 2.658 1.00 1.00 H new ATOM 0 HA MET A 1 42.252 18.752 0.771 1.00 1.00 H new ATOM 0 HB2 MET A 1 43.739 17.319 2.996 1.00 1.00 H new ATOM 0 HB3 MET A 1 44.031 18.922 2.350 1.00 1.00 H new ATOM 0 HG2 MET A 1 42.778 19.652 4.133 1.00 1.00 H new ATOM 0 HG3 MET A 1 41.398 19.170 3.166 1.00 1.00 H new ATOM 0 HE1 MET A 1 43.316 17.023 6.736 1.00 1.00 H new ATOM 0 HE2 MET A 1 44.253 17.519 5.307 1.00 1.00 H new ATOM 0 HE3 MET A 1 43.410 18.742 6.286 1.00 1.00 H new ATOM 20 N GLU A 2 43.141 15.589 0.780 1.00 1.00 N ATOM 21 CA GLU A 2 43.860 14.570 0.024 1.00 1.00 C ATOM 22 C GLU A 2 45.365 14.797 0.118 1.00 1.00 C ATOM 23 O GLU A 2 45.833 15.936 0.117 1.00 1.00 O ATOM 24 CB GLU A 2 43.427 14.604 -1.442 1.00 1.00 C ATOM 25 CG GLU A 2 41.905 14.740 -1.521 1.00 1.00 C ATOM 26 CD GLU A 2 41.427 14.433 -2.936 1.00 1.00 C ATOM 27 OE1 GLU A 2 41.430 15.340 -3.751 1.00 1.00 O ATOM 28 OE2 GLU A 2 41.062 13.296 -3.183 1.00 1.00 O ATOM 0 H GLU A 2 42.563 15.227 1.538 1.00 1.00 H new ATOM 0 HA GLU A 2 43.624 13.594 0.449 1.00 1.00 H new ATOM 0 HB2 GLU A 2 43.905 15.439 -1.954 1.00 1.00 H new ATOM 0 HB3 GLU A 2 43.748 13.694 -1.948 1.00 1.00 H new ATOM 0 HG2 GLU A 2 41.433 14.058 -0.813 1.00 1.00 H new ATOM 0 HG3 GLU A 2 41.607 15.750 -1.238 1.00 1.00 H new ATOM 35 N GLU A 3 46.120 13.705 0.195 1.00 1.00 N ATOM 36 CA GLU A 3 47.572 13.797 0.289 1.00 1.00 C ATOM 37 C GLU A 3 48.166 14.249 -1.042 1.00 1.00 C ATOM 38 O GLU A 3 48.188 15.439 -1.352 1.00 1.00 O ATOM 39 CB GLU A 3 48.159 12.439 0.677 1.00 1.00 C ATOM 40 CG GLU A 3 47.848 12.150 2.148 1.00 1.00 C ATOM 41 CD GLU A 3 47.391 10.705 2.310 1.00 1.00 C ATOM 42 OE1 GLU A 3 46.297 10.397 1.864 1.00 1.00 O ATOM 43 OE2 GLU A 3 48.140 9.927 2.877 1.00 1.00 O ATOM 0 H GLU A 3 45.753 12.753 0.194 1.00 1.00 H new ATOM 0 HA GLU A 3 47.822 14.531 1.055 1.00 1.00 H new ATOM 0 HB2 GLU A 3 47.740 11.656 0.045 1.00 1.00 H new ATOM 0 HB3 GLU A 3 49.237 12.437 0.515 1.00 1.00 H new ATOM 0 HG2 GLU A 3 48.733 12.331 2.758 1.00 1.00 H new ATOM 0 HG3 GLU A 3 47.072 12.828 2.504 1.00 1.00 H new ATOM 50 N GLY A 4 48.649 13.288 -1.825 1.00 1.00 N ATOM 51 CA GLY A 4 49.241 13.598 -3.120 1.00 1.00 C ATOM 52 C GLY A 4 49.474 12.327 -3.931 1.00 1.00 C ATOM 53 O GLY A 4 48.526 11.702 -4.407 1.00 1.00 O ATOM 0 H GLY A 4 48.642 12.296 -1.587 1.00 1.00 H new ATOM 0 HA2 GLY A 4 48.585 14.271 -3.672 1.00 1.00 H new ATOM 0 HA3 GLY A 4 50.187 14.121 -2.976 1.00 1.00 H new ATOM 57 N GLY A 5 50.739 11.952 -4.083 1.00 1.00 N ATOM 58 CA GLY A 5 51.085 10.753 -4.838 1.00 1.00 C ATOM 59 C GLY A 5 50.513 10.814 -6.251 1.00 1.00 C ATOM 60 O GLY A 5 50.372 9.791 -6.918 1.00 1.00 O ATOM 0 H GLY A 5 51.537 12.456 -3.697 1.00 1.00 H new ATOM 0 HA2 GLY A 5 52.169 10.648 -4.885 1.00 1.00 H new ATOM 0 HA3 GLY A 5 50.701 9.872 -4.324 1.00 1.00 H new ATOM 64 N ASP A 6 50.185 12.022 -6.699 1.00 1.00 N ATOM 65 CA ASP A 6 49.630 12.205 -8.034 1.00 1.00 C ATOM 66 C ASP A 6 48.315 11.444 -8.178 1.00 1.00 C ATOM 67 O ASP A 6 47.720 11.412 -9.254 1.00 1.00 O ATOM 68 CB ASP A 6 50.625 11.713 -9.087 1.00 1.00 C ATOM 69 CG ASP A 6 50.617 12.649 -10.290 1.00 1.00 C ATOM 70 OD1 ASP A 6 50.922 13.816 -10.109 1.00 1.00 O ATOM 71 OD2 ASP A 6 50.304 12.185 -11.375 1.00 1.00 O ATOM 0 H ASP A 6 50.293 12.882 -6.161 1.00 1.00 H new ATOM 0 HA ASP A 6 49.440 13.268 -8.184 1.00 1.00 H new ATOM 0 HB2 ASP A 6 51.626 11.666 -8.659 1.00 1.00 H new ATOM 0 HB3 ASP A 6 50.365 10.702 -9.401 1.00 1.00 H new ATOM 76 N PHE A 7 47.871 10.831 -7.084 1.00 1.00 N ATOM 77 CA PHE A 7 46.627 10.067 -7.094 1.00 1.00 C ATOM 78 C PHE A 7 46.507 9.263 -8.381 1.00 1.00 C ATOM 79 O PHE A 7 45.413 9.069 -8.910 1.00 1.00 O ATOM 80 CB PHE A 7 45.423 11.003 -6.955 1.00 1.00 C ATOM 81 CG PHE A 7 45.551 12.151 -7.929 1.00 1.00 C ATOM 82 CD1 PHE A 7 46.224 13.317 -7.549 1.00 1.00 C ATOM 83 CD2 PHE A 7 44.999 12.046 -9.210 1.00 1.00 C ATOM 84 CE1 PHE A 7 46.345 14.381 -8.452 1.00 1.00 C ATOM 85 CE2 PHE A 7 45.119 13.110 -10.113 1.00 1.00 C ATOM 86 CZ PHE A 7 45.791 14.277 -9.734 1.00 1.00 C ATOM 0 H PHE A 7 48.351 10.848 -6.184 1.00 1.00 H new ATOM 0 HA PHE A 7 46.642 9.381 -6.247 1.00 1.00 H new ATOM 0 HB2 PHE A 7 44.501 10.454 -7.145 1.00 1.00 H new ATOM 0 HB3 PHE A 7 45.363 11.384 -5.936 1.00 1.00 H new ATOM 0 HD1 PHE A 7 46.650 13.397 -6.560 1.00 1.00 H new ATOM 0 HD2 PHE A 7 44.481 11.145 -9.503 1.00 1.00 H new ATOM 0 HE1 PHE A 7 46.865 15.281 -8.160 1.00 1.00 H new ATOM 0 HE2 PHE A 7 44.693 13.029 -11.102 1.00 1.00 H new ATOM 0 HZ PHE A 7 45.883 15.098 -10.430 1.00 1.00 H new ATOM 96 N ASP A 8 47.646 8.799 -8.875 1.00 1.00 N ATOM 97 CA ASP A 8 47.673 8.012 -10.104 1.00 1.00 C ATOM 98 C ASP A 8 48.694 6.884 -9.996 1.00 1.00 C ATOM 99 O ASP A 8 49.502 6.677 -10.901 1.00 1.00 O ATOM 100 CB ASP A 8 48.027 8.912 -11.290 1.00 1.00 C ATOM 101 CG ASP A 8 47.430 8.341 -12.571 1.00 1.00 C ATOM 102 OD1 ASP A 8 47.479 7.133 -12.739 1.00 1.00 O ATOM 103 OD2 ASP A 8 46.931 9.119 -13.367 1.00 1.00 O ATOM 0 H ASP A 8 48.560 8.952 -8.448 1.00 1.00 H new ATOM 0 HA ASP A 8 46.685 7.578 -10.258 1.00 1.00 H new ATOM 0 HB2 ASP A 8 47.648 9.919 -11.119 1.00 1.00 H new ATOM 0 HB3 ASP A 8 49.110 8.991 -11.387 1.00 1.00 H new ATOM 108 N ASN A 9 48.650 6.157 -8.885 1.00 1.00 N ATOM 109 CA ASN A 9 49.576 5.050 -8.671 1.00 1.00 C ATOM 110 C ASN A 9 49.061 4.124 -7.575 1.00 1.00 C ATOM 111 O ASN A 9 48.567 3.031 -7.853 1.00 1.00 O ATOM 112 CB ASN A 9 50.953 5.589 -8.282 1.00 1.00 C ATOM 113 CG ASN A 9 51.866 5.616 -9.503 1.00 1.00 C ATOM 114 OD1 ASN A 9 52.420 6.661 -9.842 1.00 1.00 O ATOM 115 ND2 ASN A 9 52.054 4.522 -10.188 1.00 1.00 N ATOM 0 H ASN A 9 47.989 6.312 -8.124 1.00 1.00 H new ATOM 0 HA ASN A 9 49.657 4.484 -9.599 1.00 1.00 H new ATOM 0 HB2 ASN A 9 50.856 6.593 -7.868 1.00 1.00 H new ATOM 0 HB3 ASN A 9 51.391 4.964 -7.504 1.00 1.00 H new ATOM 0 HD21 ASN A 9 52.662 4.531 -11.007 1.00 1.00 H new ATOM 0 HD22 ASN A 9 51.593 3.657 -9.904 1.00 1.00 H new ATOM 122 N TYR A 10 49.177 4.568 -6.327 1.00 1.00 N ATOM 123 CA TYR A 10 48.720 3.768 -5.197 1.00 1.00 C ATOM 124 C TYR A 10 48.150 4.664 -4.101 1.00 1.00 C ATOM 125 O TYR A 10 48.134 4.288 -2.928 1.00 1.00 O ATOM 126 CB TYR A 10 49.879 2.945 -4.634 1.00 1.00 C ATOM 127 CG TYR A 10 49.355 1.630 -4.107 1.00 1.00 C ATOM 128 CD1 TYR A 10 49.143 0.560 -4.983 1.00 1.00 C ATOM 129 CD2 TYR A 10 49.079 1.485 -2.743 1.00 1.00 C ATOM 130 CE1 TYR A 10 48.656 -0.659 -4.494 1.00 1.00 C ATOM 131 CE2 TYR A 10 48.591 0.267 -2.253 1.00 1.00 C ATOM 132 CZ TYR A 10 48.380 -0.805 -3.129 1.00 1.00 C ATOM 133 OH TYR A 10 47.899 -2.006 -2.647 1.00 1.00 O ATOM 0 H TYR A 10 49.580 5.470 -6.074 1.00 1.00 H new ATOM 0 HA TYR A 10 47.936 3.097 -5.547 1.00 1.00 H new ATOM 0 HB2 TYR A 10 50.623 2.767 -5.410 1.00 1.00 H new ATOM 0 HB3 TYR A 10 50.376 3.496 -3.836 1.00 1.00 H new ATOM 0 HD1 TYR A 10 49.355 0.674 -6.036 1.00 1.00 H new ATOM 0 HD2 TYR A 10 49.242 2.312 -2.068 1.00 1.00 H new ATOM 0 HE1 TYR A 10 48.493 -1.486 -5.169 1.00 1.00 H new ATOM 0 HE2 TYR A 10 48.378 0.155 -1.200 1.00 1.00 H new ATOM 0 HH TYR A 10 47.762 -1.939 -1.679 1.00 1.00 H new ATOM 143 N TYR A 11 47.683 5.846 -4.494 1.00 1.00 N ATOM 144 CA TYR A 11 47.111 6.796 -3.541 1.00 1.00 C ATOM 145 C TYR A 11 47.894 6.789 -2.234 1.00 1.00 C ATOM 146 O TYR A 11 47.315 6.850 -1.150 1.00 1.00 O ATOM 147 CB TYR A 11 45.648 6.448 -3.263 1.00 1.00 C ATOM 148 CG TYR A 11 45.514 4.963 -3.023 1.00 1.00 C ATOM 149 CD1 TYR A 11 45.325 4.094 -4.103 1.00 1.00 C ATOM 150 CD2 TYR A 11 45.578 4.457 -1.719 1.00 1.00 C ATOM 151 CE1 TYR A 11 45.201 2.718 -3.881 1.00 1.00 C ATOM 152 CE2 TYR A 11 45.454 3.080 -1.496 1.00 1.00 C ATOM 153 CZ TYR A 11 45.267 2.210 -2.577 1.00 1.00 C ATOM 154 OH TYR A 11 45.145 0.854 -2.357 1.00 1.00 O ATOM 0 H TYR A 11 47.689 6.169 -5.461 1.00 1.00 H new ATOM 0 HA TYR A 11 47.169 7.792 -3.979 1.00 1.00 H new ATOM 0 HB2 TYR A 11 45.292 7.000 -2.393 1.00 1.00 H new ATOM 0 HB3 TYR A 11 45.026 6.747 -4.107 1.00 1.00 H new ATOM 0 HD1 TYR A 11 45.275 4.485 -5.108 1.00 1.00 H new ATOM 0 HD2 TYR A 11 45.723 5.128 -0.886 1.00 1.00 H new ATOM 0 HE1 TYR A 11 45.054 2.048 -4.715 1.00 1.00 H new ATOM 0 HE2 TYR A 11 45.503 2.689 -0.490 1.00 1.00 H new ATOM 0 HH TYR A 11 46.036 0.452 -2.291 1.00 1.00 H new ATOM 164 N GLY A 12 49.215 6.717 -2.345 1.00 1.00 N ATOM 165 CA GLY A 12 50.073 6.704 -1.165 1.00 1.00 C ATOM 166 C GLY A 12 51.541 6.584 -1.561 1.00 1.00 C ATOM 167 O GLY A 12 52.317 7.524 -1.391 1.00 1.00 O ATOM 0 H GLY A 12 49.713 6.667 -3.233 1.00 1.00 H new ATOM 0 HA2 GLY A 12 49.921 7.617 -0.590 1.00 1.00 H new ATOM 0 HA3 GLY A 12 49.797 5.871 -0.519 1.00 1.00 H new ATOM 171 N ALA A 13 51.914 5.423 -2.087 1.00 1.00 N ATOM 172 CA ALA A 13 53.292 5.192 -2.503 1.00 1.00 C ATOM 173 C ALA A 13 53.422 3.843 -3.205 1.00 1.00 C ATOM 174 O ALA A 13 53.155 3.727 -4.401 1.00 1.00 O ATOM 175 CB ALA A 13 54.218 5.226 -1.285 1.00 1.00 C ATOM 0 H ALA A 13 51.287 4.632 -2.235 1.00 1.00 H new ATOM 0 HA ALA A 13 53.578 5.980 -3.199 1.00 1.00 H new ATOM 0 HB1 ALA A 13 55.246 5.053 -1.604 1.00 1.00 H new ATOM 0 HB2 ALA A 13 54.148 6.200 -0.802 1.00 1.00 H new ATOM 0 HB3 ALA A 13 53.921 4.449 -0.580 1.00 1.00 H new ATOM 181 N ASP A 14 53.833 2.828 -2.453 1.00 1.00 N ATOM 182 CA ASP A 14 53.994 1.490 -3.014 1.00 1.00 C ATOM 183 C ASP A 14 55.216 1.436 -3.925 1.00 1.00 C ATOM 184 O ASP A 14 55.311 0.578 -4.802 1.00 1.00 O ATOM 185 CB ASP A 14 52.746 1.104 -3.808 1.00 1.00 C ATOM 186 CG ASP A 14 52.403 -0.361 -3.559 1.00 1.00 C ATOM 187 OD1 ASP A 14 53.323 -1.142 -3.379 1.00 1.00 O ATOM 188 OD2 ASP A 14 51.225 -0.680 -3.553 1.00 1.00 O ATOM 0 H ASP A 14 54.059 2.904 -1.461 1.00 1.00 H new ATOM 0 HA ASP A 14 54.134 0.786 -2.194 1.00 1.00 H new ATOM 0 HB2 ASP A 14 51.908 1.737 -3.515 1.00 1.00 H new ATOM 0 HB3 ASP A 14 52.915 1.271 -4.872 1.00 1.00 H new ATOM 193 N ASN A 15 56.150 2.357 -3.710 1.00 1.00 N ATOM 194 CA ASN A 15 57.364 2.404 -4.518 1.00 1.00 C ATOM 195 C ASN A 15 58.423 3.271 -3.845 1.00 1.00 C ATOM 196 O ASN A 15 58.785 4.332 -4.353 1.00 1.00 O ATOM 197 CB ASN A 15 57.047 2.967 -5.903 1.00 1.00 C ATOM 198 CG ASN A 15 58.159 2.602 -6.882 1.00 1.00 C ATOM 199 OD1 ASN A 15 59.338 2.679 -6.538 1.00 1.00 O ATOM 200 ND2 ASN A 15 57.852 2.206 -8.087 1.00 1.00 N ATOM 0 H ASN A 15 56.091 3.076 -2.989 1.00 1.00 H new ATOM 0 HA ASN A 15 57.751 1.390 -4.618 1.00 1.00 H new ATOM 0 HB2 ASN A 15 56.095 2.570 -6.257 1.00 1.00 H new ATOM 0 HB3 ASN A 15 56.940 4.050 -5.849 1.00 1.00 H new ATOM 0 HD21 ASN A 15 58.590 1.959 -8.746 1.00 1.00 H new ATOM 0 HD22 ASN A 15 56.874 2.143 -8.369 1.00 1.00 H new ATOM 207 N GLN A 16 58.915 2.810 -2.700 1.00 1.00 N ATOM 208 CA GLN A 16 59.934 3.551 -1.965 1.00 1.00 C ATOM 209 C GLN A 16 61.268 3.503 -2.702 1.00 1.00 C ATOM 210 O GLN A 16 62.146 4.335 -2.471 1.00 1.00 O ATOM 211 CB GLN A 16 60.101 2.960 -0.564 1.00 1.00 C ATOM 212 CG GLN A 16 60.369 1.457 -0.672 1.00 1.00 C ATOM 213 CD GLN A 16 59.273 0.679 0.049 1.00 1.00 C ATOM 214 OE1 GLN A 16 59.177 0.732 1.274 1.00 1.00 O ATOM 215 NE2 GLN A 16 58.437 -0.046 -0.643 1.00 1.00 N ATOM 0 H GLN A 16 58.628 1.934 -2.263 1.00 1.00 H new ATOM 0 HA GLN A 16 59.614 4.590 -1.885 1.00 1.00 H new ATOM 0 HB2 GLN A 16 60.925 3.451 -0.047 1.00 1.00 H new ATOM 0 HB3 GLN A 16 59.203 3.138 0.027 1.00 1.00 H new ATOM 0 HG2 GLN A 16 60.408 1.160 -1.720 1.00 1.00 H new ATOM 0 HG3 GLN A 16 61.340 1.220 -0.238 1.00 1.00 H new ATOM 0 HE21 GLN A 16 58.518 -0.088 -1.659 1.00 1.00 H new ATOM 0 HE22 GLN A 16 57.702 -0.570 -0.168 1.00 1.00 H new ATOM 224 N SER A 17 61.414 2.525 -3.590 1.00 1.00 N ATOM 225 CA SER A 17 62.645 2.378 -4.356 1.00 1.00 C ATOM 226 C SER A 17 62.669 1.036 -5.080 1.00 1.00 C ATOM 227 O SER A 17 63.332 0.885 -6.106 1.00 1.00 O ATOM 228 CB SER A 17 63.854 2.479 -3.425 1.00 1.00 C ATOM 229 OG SER A 17 64.294 3.830 -3.371 1.00 1.00 O ATOM 0 H SER A 17 60.700 1.827 -3.796 1.00 1.00 H new ATOM 0 HA SER A 17 62.688 3.177 -5.096 1.00 1.00 H new ATOM 0 HB2 SER A 17 63.589 2.131 -2.427 1.00 1.00 H new ATOM 0 HB3 SER A 17 64.658 1.837 -3.784 1.00 1.00 H new ATOM 0 HG SER A 17 63.631 4.371 -2.893 1.00 1.00 H new ATOM 235 N GLU A 18 61.940 0.065 -4.540 1.00 1.00 N ATOM 236 CA GLU A 18 61.885 -1.261 -5.144 1.00 1.00 C ATOM 237 C GLU A 18 60.657 -1.390 -6.040 1.00 1.00 C ATOM 238 O GLU A 18 59.558 -0.981 -5.665 1.00 1.00 O ATOM 239 CB GLU A 18 61.837 -2.332 -4.053 1.00 1.00 C ATOM 240 CG GLU A 18 63.119 -3.165 -4.096 1.00 1.00 C ATOM 241 CD GLU A 18 63.072 -4.250 -3.026 1.00 1.00 C ATOM 242 OE1 GLU A 18 62.828 -3.913 -1.879 1.00 1.00 O ATOM 243 OE2 GLU A 18 63.278 -5.402 -3.369 1.00 1.00 O ATOM 0 H GLU A 18 61.383 0.170 -3.692 1.00 1.00 H new ATOM 0 HA GLU A 18 62.780 -1.401 -5.750 1.00 1.00 H new ATOM 0 HB2 GLU A 18 61.728 -1.864 -3.075 1.00 1.00 H new ATOM 0 HB3 GLU A 18 60.969 -2.975 -4.198 1.00 1.00 H new ATOM 0 HG2 GLU A 18 63.235 -3.618 -5.080 1.00 1.00 H new ATOM 0 HG3 GLU A 18 63.985 -2.523 -3.937 1.00 1.00 H new ATOM 250 N CYS A 19 60.852 -1.959 -7.225 1.00 1.00 N ATOM 251 CA CYS A 19 59.753 -2.136 -8.166 1.00 1.00 C ATOM 252 C CYS A 19 60.261 -2.716 -9.479 1.00 1.00 C ATOM 253 O CYS A 19 60.334 -2.020 -10.492 1.00 1.00 O ATOM 254 CB CYS A 19 59.067 -0.794 -8.429 1.00 1.00 C ATOM 255 SG CYS A 19 60.294 0.535 -8.356 1.00 1.00 S ATOM 0 H CYS A 19 61.754 -2.303 -7.555 1.00 1.00 H new ATOM 0 HA CYS A 19 59.035 -2.830 -7.729 1.00 1.00 H new ATOM 0 HB2 CYS A 19 58.585 -0.805 -9.407 1.00 1.00 H new ATOM 0 HB3 CYS A 19 58.285 -0.622 -7.690 1.00 1.00 H new ATOM 0 HG CYS A 19 60.102 1.245 -7.284 1.00 1.00 H new ATOM 261 N GLU A 20 60.604 -3.998 -9.454 1.00 1.00 N ATOM 262 CA GLU A 20 61.099 -4.668 -10.647 1.00 1.00 C ATOM 263 C GLU A 20 59.971 -4.840 -11.660 1.00 1.00 C ATOM 264 O GLU A 20 60.128 -5.527 -12.670 1.00 1.00 O ATOM 265 CB GLU A 20 61.677 -6.035 -10.270 1.00 1.00 C ATOM 266 CG GLU A 20 62.703 -6.467 -11.320 1.00 1.00 C ATOM 267 CD GLU A 20 63.255 -7.845 -10.972 1.00 1.00 C ATOM 268 OE1 GLU A 20 63.602 -8.049 -9.821 1.00 1.00 O ATOM 269 OE2 GLU A 20 63.322 -8.676 -11.863 1.00 1.00 O ATOM 0 H GLU A 20 60.549 -4.590 -8.625 1.00 1.00 H new ATOM 0 HA GLU A 20 61.883 -4.059 -11.096 1.00 1.00 H new ATOM 0 HB2 GLU A 20 62.147 -5.984 -9.288 1.00 1.00 H new ATOM 0 HB3 GLU A 20 60.878 -6.773 -10.203 1.00 1.00 H new ATOM 0 HG2 GLU A 20 62.239 -6.490 -12.306 1.00 1.00 H new ATOM 0 HG3 GLU A 20 63.515 -5.742 -11.367 1.00 1.00 H new ATOM 276 N TYR A 21 58.836 -4.208 -11.382 1.00 1.00 N ATOM 277 CA TYR A 21 57.685 -4.291 -12.273 1.00 1.00 C ATOM 278 C TYR A 21 57.124 -5.710 -12.293 1.00 1.00 C ATOM 279 O TYR A 21 57.571 -6.554 -13.068 1.00 1.00 O ATOM 280 CB TYR A 21 58.092 -3.877 -13.690 1.00 1.00 C ATOM 281 CG TYR A 21 59.101 -2.755 -13.609 1.00 1.00 C ATOM 282 CD1 TYR A 21 58.803 -1.601 -12.876 1.00 1.00 C ATOM 283 CD2 TYR A 21 60.334 -2.871 -14.262 1.00 1.00 C ATOM 284 CE1 TYR A 21 59.737 -0.560 -12.797 1.00 1.00 C ATOM 285 CE2 TYR A 21 61.268 -1.831 -14.183 1.00 1.00 C ATOM 286 CZ TYR A 21 60.970 -0.676 -13.450 1.00 1.00 C ATOM 287 OH TYR A 21 61.890 0.349 -13.372 1.00 1.00 O ATOM 0 H TYR A 21 58.689 -3.635 -10.551 1.00 1.00 H new ATOM 0 HA TYR A 21 56.913 -3.615 -11.906 1.00 1.00 H new ATOM 0 HB2 TYR A 21 58.518 -4.728 -14.222 1.00 1.00 H new ATOM 0 HB3 TYR A 21 57.216 -3.555 -14.253 1.00 1.00 H new ATOM 0 HD1 TYR A 21 57.852 -1.513 -12.371 1.00 1.00 H new ATOM 0 HD2 TYR A 21 60.565 -3.762 -14.826 1.00 1.00 H new ATOM 0 HE1 TYR A 21 59.506 0.331 -12.233 1.00 1.00 H new ATOM 0 HE2 TYR A 21 62.219 -1.920 -14.688 1.00 1.00 H new ATOM 0 HH TYR A 21 62.693 0.108 -13.880 1.00 1.00 H new ATOM 297 N THR A 22 56.143 -5.964 -11.433 1.00 1.00 N ATOM 298 CA THR A 22 55.529 -7.285 -11.360 1.00 1.00 C ATOM 299 C THR A 22 56.599 -8.361 -11.218 1.00 1.00 C ATOM 300 O THR A 22 56.382 -9.514 -11.590 1.00 1.00 O ATOM 301 CB THR A 22 54.703 -7.547 -12.621 1.00 1.00 C ATOM 302 OG1 THR A 22 54.139 -6.326 -13.078 1.00 1.00 O ATOM 303 CG2 THR A 22 53.587 -8.542 -12.305 1.00 1.00 C ATOM 0 H THR A 22 55.759 -5.279 -10.782 1.00 1.00 H new ATOM 0 HA THR A 22 54.877 -7.317 -10.487 1.00 1.00 H new ATOM 0 HB THR A 22 55.346 -7.962 -13.397 1.00 1.00 H new ATOM 0 HG1 THR A 22 53.611 -6.492 -13.887 1.00 1.00 H new ATOM 0 HG21 THR A 22 53.000 -8.728 -13.204 1.00 1.00 H new ATOM 0 HG22 THR A 22 54.022 -9.478 -11.956 1.00 1.00 H new ATOM 0 HG23 THR A 22 52.942 -8.131 -11.529 1.00 1.00 H new ATOM 311 N ASP A 23 57.752 -7.980 -10.675 1.00 1.00 N ATOM 312 CA ASP A 23 58.843 -8.931 -10.491 1.00 1.00 C ATOM 313 C ASP A 23 59.501 -8.732 -9.130 1.00 1.00 C ATOM 314 O ASP A 23 60.598 -9.233 -8.881 1.00 1.00 O ATOM 315 CB ASP A 23 59.880 -8.760 -11.603 1.00 1.00 C ATOM 316 CG ASP A 23 59.649 -9.799 -12.695 1.00 1.00 C ATOM 317 OD1 ASP A 23 59.773 -10.976 -12.402 1.00 1.00 O ATOM 318 OD2 ASP A 23 59.354 -9.401 -13.810 1.00 1.00 O ATOM 0 H ASP A 23 57.954 -7.032 -10.358 1.00 1.00 H new ATOM 0 HA ASP A 23 58.435 -9.941 -10.536 1.00 1.00 H new ATOM 0 HB2 ASP A 23 59.812 -7.757 -12.024 1.00 1.00 H new ATOM 0 HB3 ASP A 23 60.885 -8.867 -11.194 1.00 1.00 H new ATOM 323 N TRP A 24 58.817 -8.004 -8.250 1.00 1.00 N ATOM 324 CA TRP A 24 59.334 -7.748 -6.910 1.00 1.00 C ATOM 325 C TRP A 24 58.274 -8.075 -5.863 1.00 1.00 C ATOM 326 O TRP A 24 58.514 -7.954 -4.662 1.00 1.00 O ATOM 327 CB TRP A 24 59.759 -6.283 -6.776 1.00 1.00 C ATOM 328 CG TRP A 24 58.602 -5.391 -7.087 1.00 1.00 C ATOM 329 CD1 TRP A 24 58.096 -5.178 -8.324 1.00 1.00 C ATOM 330 CD2 TRP A 24 57.799 -4.588 -6.174 1.00 1.00 C ATOM 331 NE1 TRP A 24 57.035 -4.296 -8.228 1.00 1.00 N ATOM 332 CE2 TRP A 24 56.813 -3.904 -6.923 1.00 1.00 C ATOM 333 CE3 TRP A 24 57.832 -4.390 -4.781 1.00 1.00 C ATOM 334 CZ2 TRP A 24 55.891 -3.052 -6.312 1.00 1.00 C ATOM 335 CZ3 TRP A 24 56.906 -3.534 -4.163 1.00 1.00 C ATOM 336 CH2 TRP A 24 55.937 -2.867 -4.927 1.00 1.00 C ATOM 0 H TRP A 24 57.908 -7.583 -8.441 1.00 1.00 H new ATOM 0 HA TRP A 24 60.203 -8.386 -6.747 1.00 1.00 H new ATOM 0 HB2 TRP A 24 60.118 -6.090 -5.765 1.00 1.00 H new ATOM 0 HB3 TRP A 24 60.586 -6.071 -7.454 1.00 1.00 H new ATOM 0 HD1 TRP A 24 58.461 -5.624 -9.237 1.00 1.00 H new ATOM 0 HE1 TRP A 24 56.484 -3.975 -9.024 1.00 1.00 H new ATOM 0 HE3 TRP A 24 58.574 -4.899 -4.184 1.00 1.00 H new ATOM 0 HZ2 TRP A 24 55.148 -2.540 -6.905 1.00 1.00 H new ATOM 0 HZ3 TRP A 24 56.940 -3.388 -3.093 1.00 1.00 H new ATOM 0 HH2 TRP A 24 55.227 -2.211 -4.446 1.00 1.00 H new ATOM 347 N LYS A 25 57.102 -8.500 -6.329 1.00 1.00 N ATOM 348 CA LYS A 25 56.012 -8.852 -5.426 1.00 1.00 C ATOM 349 C LYS A 25 55.070 -9.850 -6.092 1.00 1.00 C ATOM 350 O LYS A 25 53.924 -10.012 -5.669 1.00 1.00 O ATOM 351 CB LYS A 25 55.240 -7.593 -4.996 1.00 1.00 C ATOM 352 CG LYS A 25 54.357 -7.065 -6.139 1.00 1.00 C ATOM 353 CD LYS A 25 55.213 -6.787 -7.376 1.00 1.00 C ATOM 354 CE LYS A 25 54.528 -5.728 -8.246 1.00 1.00 C ATOM 355 NZ LYS A 25 53.213 -6.249 -8.719 1.00 1.00 N ATOM 0 H LYS A 25 56.885 -8.608 -7.320 1.00 1.00 H new ATOM 0 HA LYS A 25 56.438 -9.317 -4.537 1.00 1.00 H new ATOM 0 HB2 LYS A 25 54.620 -7.822 -4.130 1.00 1.00 H new ATOM 0 HB3 LYS A 25 55.943 -6.819 -4.689 1.00 1.00 H new ATOM 0 HG2 LYS A 25 53.583 -7.794 -6.379 1.00 1.00 H new ATOM 0 HG3 LYS A 25 53.849 -6.153 -5.826 1.00 1.00 H new ATOM 0 HD2 LYS A 25 56.202 -6.442 -7.076 1.00 1.00 H new ATOM 0 HD3 LYS A 25 55.355 -7.705 -7.946 1.00 1.00 H new ATOM 0 HE2 LYS A 25 54.384 -4.811 -7.675 1.00 1.00 H new ATOM 0 HE3 LYS A 25 55.160 -5.477 -9.098 1.00 1.00 H new ATOM 0 HZ1 LYS A 25 52.897 -5.698 -9.543 1.00 1.00 H new ATOM 0 HZ2 LYS A 25 53.312 -7.249 -8.988 1.00 1.00 H new ATOM 0 HZ3 LYS A 25 52.511 -6.164 -7.956 1.00 1.00 H new ATOM 369 N SER A 26 55.563 -10.513 -7.134 1.00 1.00 N ATOM 370 CA SER A 26 54.764 -11.496 -7.857 1.00 1.00 C ATOM 371 C SER A 26 55.339 -12.893 -7.665 1.00 1.00 C ATOM 372 O SER A 26 55.241 -13.466 -6.582 1.00 1.00 O ATOM 373 CB SER A 26 54.739 -11.151 -9.346 1.00 1.00 C ATOM 374 OG SER A 26 56.069 -11.127 -9.845 1.00 1.00 O ATOM 0 H SER A 26 56.509 -10.388 -7.495 1.00 1.00 H new ATOM 0 HA SER A 26 53.748 -11.476 -7.463 1.00 1.00 H new ATOM 0 HB2 SER A 26 54.147 -11.886 -9.891 1.00 1.00 H new ATOM 0 HB3 SER A 26 54.264 -10.182 -9.499 1.00 1.00 H new ATOM 0 HG SER A 26 56.099 -10.601 -10.671 1.00 1.00 H new ATOM 380 N SER A 27 55.935 -13.435 -8.723 1.00 1.00 N ATOM 381 CA SER A 27 56.516 -14.772 -8.658 1.00 1.00 C ATOM 382 C SER A 27 55.423 -15.802 -8.398 1.00 1.00 C ATOM 383 O SER A 27 55.080 -16.595 -9.276 1.00 1.00 O ATOM 384 CB SER A 27 57.564 -14.838 -7.546 1.00 1.00 C ATOM 385 OG SER A 27 58.801 -15.277 -8.093 1.00 1.00 O ATOM 0 H SER A 27 56.028 -12.974 -9.628 1.00 1.00 H new ATOM 0 HA SER A 27 56.997 -14.992 -9.611 1.00 1.00 H new ATOM 0 HB2 SER A 27 57.684 -13.858 -7.085 1.00 1.00 H new ATOM 0 HB3 SER A 27 57.237 -15.521 -6.762 1.00 1.00 H new ATOM 0 HG SER A 27 59.476 -15.319 -7.384 1.00 1.00 H new ATOM 391 N GLY A 28 54.874 -15.771 -7.192 1.00 1.00 N ATOM 392 CA GLY A 28 53.809 -16.693 -6.819 1.00 1.00 C ATOM 393 C GLY A 28 52.825 -16.004 -5.882 1.00 1.00 C ATOM 394 O GLY A 28 51.979 -16.651 -5.266 1.00 1.00 O ATOM 0 H GLY A 28 55.147 -15.119 -6.456 1.00 1.00 H new ATOM 0 HA2 GLY A 28 53.290 -17.042 -7.712 1.00 1.00 H new ATOM 0 HA3 GLY A 28 54.232 -17.572 -6.333 1.00 1.00 H new ATOM 398 N ALA A 29 52.954 -14.685 -5.777 1.00 1.00 N ATOM 399 CA ALA A 29 52.085 -13.906 -4.908 1.00 1.00 C ATOM 400 C ALA A 29 52.396 -14.214 -3.450 1.00 1.00 C ATOM 401 O ALA A 29 51.495 -14.422 -2.638 1.00 1.00 O ATOM 402 CB ALA A 29 50.620 -14.220 -5.208 1.00 1.00 C ATOM 0 H ALA A 29 53.650 -14.137 -6.282 1.00 1.00 H new ATOM 0 HA ALA A 29 52.262 -12.846 -5.092 1.00 1.00 H new ATOM 0 HB1 ALA A 29 49.980 -13.631 -4.551 1.00 1.00 H new ATOM 0 HB2 ALA A 29 50.400 -13.973 -6.247 1.00 1.00 H new ATOM 0 HB3 ALA A 29 50.434 -15.281 -5.040 1.00 1.00 H new ATOM 408 N LEU A 30 53.686 -14.246 -3.130 1.00 1.00 N ATOM 409 CA LEU A 30 54.123 -14.534 -1.771 1.00 1.00 C ATOM 410 C LEU A 30 54.082 -13.270 -0.920 1.00 1.00 C ATOM 411 O LEU A 30 53.643 -13.297 0.230 1.00 1.00 O ATOM 412 CB LEU A 30 55.554 -15.089 -1.783 1.00 1.00 C ATOM 413 CG LEU A 30 55.569 -16.536 -2.300 1.00 1.00 C ATOM 414 CD1 LEU A 30 54.821 -17.458 -1.329 1.00 1.00 C ATOM 415 CD2 LEU A 30 54.898 -16.598 -3.675 1.00 1.00 C ATOM 0 H LEU A 30 54.444 -14.077 -3.792 1.00 1.00 H new ATOM 0 HA LEU A 30 53.448 -15.276 -1.344 1.00 1.00 H new ATOM 0 HB2 LEU A 30 56.186 -14.465 -2.414 1.00 1.00 H new ATOM 0 HB3 LEU A 30 55.972 -15.052 -0.777 1.00 1.00 H new ATOM 0 HG LEU A 30 56.604 -16.868 -2.379 1.00 1.00 H new ATOM 0 HD11 LEU A 30 54.840 -18.479 -1.709 1.00 1.00 H new ATOM 0 HD12 LEU A 30 55.303 -17.425 -0.352 1.00 1.00 H new ATOM 0 HD13 LEU A 30 53.787 -17.126 -1.235 1.00 1.00 H new ATOM 0 HD21 LEU A 30 54.910 -17.625 -4.040 1.00 1.00 H new ATOM 0 HD22 LEU A 30 53.867 -16.254 -3.593 1.00 1.00 H new ATOM 0 HD23 LEU A 30 55.439 -15.959 -4.373 1.00 1.00 H new ATOM 427 N ILE A 31 54.544 -12.163 -1.492 1.00 1.00 N ATOM 428 CA ILE A 31 54.559 -10.894 -0.776 1.00 1.00 C ATOM 429 C ILE A 31 53.137 -10.360 -0.543 1.00 1.00 C ATOM 430 O ILE A 31 52.794 -10.011 0.587 1.00 1.00 O ATOM 431 CB ILE A 31 55.417 -9.868 -1.536 1.00 1.00 C ATOM 432 CG1 ILE A 31 56.850 -9.923 -1.000 1.00 1.00 C ATOM 433 CG2 ILE A 31 54.866 -8.451 -1.339 1.00 1.00 C ATOM 434 CD1 ILE A 31 57.385 -11.352 -1.116 1.00 1.00 C ATOM 0 H ILE A 31 54.911 -12.119 -2.443 1.00 1.00 H new ATOM 0 HA ILE A 31 55.004 -11.063 0.205 1.00 1.00 H new ATOM 0 HB ILE A 31 55.396 -10.110 -2.599 1.00 1.00 H new ATOM 0 HG12 ILE A 31 57.486 -9.239 -1.562 1.00 1.00 H new ATOM 0 HG13 ILE A 31 56.873 -9.598 0.040 1.00 1.00 H new ATOM 0 HG21 ILE A 31 55.487 -7.740 -1.884 1.00 1.00 H new ATOM 0 HG22 ILE A 31 53.844 -8.403 -1.714 1.00 1.00 H new ATOM 0 HG23 ILE A 31 54.875 -8.201 -0.278 1.00 1.00 H new ATOM 0 HD11 ILE A 31 58.405 -11.391 -0.734 1.00 1.00 H new ATOM 0 HD12 ILE A 31 56.754 -12.025 -0.535 1.00 1.00 H new ATOM 0 HD13 ILE A 31 57.377 -11.660 -2.162 1.00 1.00 H new ATOM 446 N PRO A 32 52.299 -10.281 -1.558 1.00 1.00 N ATOM 447 CA PRO A 32 50.907 -9.770 -1.385 1.00 1.00 C ATOM 448 C PRO A 32 50.015 -10.773 -0.654 1.00 1.00 C ATOM 449 O PRO A 32 48.805 -10.820 -0.875 1.00 1.00 O ATOM 450 CB PRO A 32 50.420 -9.541 -2.817 1.00 1.00 C ATOM 451 CG PRO A 32 51.211 -10.485 -3.655 1.00 1.00 C ATOM 452 CD PRO A 32 52.563 -10.660 -2.963 1.00 1.00 C ATOM 0 HA PRO A 32 50.875 -8.867 -0.775 1.00 1.00 H new ATOM 0 HB2 PRO A 32 49.351 -9.737 -2.905 1.00 1.00 H new ATOM 0 HB3 PRO A 32 50.582 -8.509 -3.127 1.00 1.00 H new ATOM 0 HG2 PRO A 32 50.698 -11.442 -3.749 1.00 1.00 H new ATOM 0 HG3 PRO A 32 51.340 -10.092 -4.663 1.00 1.00 H new ATOM 0 HD2 PRO A 32 52.920 -11.687 -3.039 1.00 1.00 H new ATOM 0 HD3 PRO A 32 53.326 -10.024 -3.411 1.00 1.00 H new ATOM 460 N ALA A 33 50.624 -11.569 0.218 1.00 1.00 N ATOM 461 CA ALA A 33 49.881 -12.567 0.979 1.00 1.00 C ATOM 462 C ALA A 33 50.321 -12.561 2.440 1.00 1.00 C ATOM 463 O ALA A 33 49.864 -13.377 3.240 1.00 1.00 O ATOM 464 CB ALA A 33 50.108 -13.956 0.381 1.00 1.00 C ATOM 0 H ALA A 33 51.624 -11.543 0.415 1.00 1.00 H new ATOM 0 HA ALA A 33 48.820 -12.320 0.929 1.00 1.00 H new ATOM 0 HB1 ALA A 33 49.550 -14.695 0.955 1.00 1.00 H new ATOM 0 HB2 ALA A 33 49.766 -13.967 -0.654 1.00 1.00 H new ATOM 0 HB3 ALA A 33 51.170 -14.197 0.415 1.00 1.00 H new ATOM 470 N ILE A 34 51.212 -11.635 2.779 1.00 1.00 N ATOM 471 CA ILE A 34 51.708 -11.530 4.146 1.00 1.00 C ATOM 472 C ILE A 34 51.837 -10.068 4.558 1.00 1.00 C ATOM 473 O ILE A 34 51.551 -9.707 5.700 1.00 1.00 O ATOM 474 CB ILE A 34 53.071 -12.216 4.263 1.00 1.00 C ATOM 475 CG1 ILE A 34 53.478 -12.774 2.896 1.00 1.00 C ATOM 476 CG2 ILE A 34 52.984 -13.361 5.276 1.00 1.00 C ATOM 477 CD1 ILE A 34 54.857 -13.427 3.000 1.00 1.00 C ATOM 0 H ILE A 34 51.603 -10.951 2.131 1.00 1.00 H new ATOM 0 HA ILE A 34 50.996 -12.022 4.809 1.00 1.00 H new ATOM 0 HB ILE A 34 53.814 -11.492 4.598 1.00 1.00 H new ATOM 0 HG12 ILE A 34 52.743 -13.504 2.556 1.00 1.00 H new ATOM 0 HG13 ILE A 34 53.498 -11.974 2.156 1.00 1.00 H new ATOM 0 HG21 ILE A 34 53.955 -13.849 5.358 1.00 1.00 H new ATOM 0 HG22 ILE A 34 52.693 -12.965 6.249 1.00 1.00 H new ATOM 0 HG23 ILE A 34 52.241 -14.086 4.943 1.00 1.00 H new ATOM 0 HD11 ILE A 34 55.146 -13.824 2.027 1.00 1.00 H new ATOM 0 HD12 ILE A 34 55.588 -12.685 3.321 1.00 1.00 H new ATOM 0 HD13 ILE A 34 54.821 -14.239 3.727 1.00 1.00 H new ATOM 489 N TYR A 35 52.269 -9.231 3.620 1.00 1.00 N ATOM 490 CA TYR A 35 52.433 -7.809 3.896 1.00 1.00 C ATOM 491 C TYR A 35 51.097 -7.082 3.775 1.00 1.00 C ATOM 492 O TYR A 35 51.054 -5.880 3.510 1.00 1.00 O ATOM 493 CB TYR A 35 53.440 -7.200 2.918 1.00 1.00 C ATOM 494 CG TYR A 35 54.842 -7.534 3.367 1.00 1.00 C ATOM 495 CD1 TYR A 35 55.420 -6.834 4.433 1.00 1.00 C ATOM 496 CD2 TYR A 35 55.564 -8.542 2.718 1.00 1.00 C ATOM 497 CE1 TYR A 35 56.719 -7.143 4.851 1.00 1.00 C ATOM 498 CE2 TYR A 35 56.864 -8.851 3.136 1.00 1.00 C ATOM 499 CZ TYR A 35 57.442 -8.151 4.202 1.00 1.00 C ATOM 500 OH TYR A 35 58.723 -8.456 4.614 1.00 1.00 O ATOM 0 H TYR A 35 52.510 -9.510 2.669 1.00 1.00 H new ATOM 0 HA TYR A 35 52.803 -7.696 4.915 1.00 1.00 H new ATOM 0 HB2 TYR A 35 53.267 -7.586 1.913 1.00 1.00 H new ATOM 0 HB3 TYR A 35 53.309 -6.119 2.871 1.00 1.00 H new ATOM 0 HD1 TYR A 35 54.863 -6.055 4.933 1.00 1.00 H new ATOM 0 HD2 TYR A 35 55.119 -9.081 1.895 1.00 1.00 H new ATOM 0 HE1 TYR A 35 57.164 -6.604 5.674 1.00 1.00 H new ATOM 0 HE2 TYR A 35 57.421 -9.630 2.636 1.00 1.00 H new ATOM 0 HH TYR A 35 59.082 -9.179 4.059 1.00 1.00 H new ATOM 510 N MET A 36 50.008 -7.818 3.971 1.00 1.00 N ATOM 511 CA MET A 36 48.675 -7.234 3.882 1.00 1.00 C ATOM 512 C MET A 36 47.789 -7.747 5.012 1.00 1.00 C ATOM 513 O MET A 36 47.178 -6.964 5.739 1.00 1.00 O ATOM 514 CB MET A 36 48.041 -7.584 2.534 1.00 1.00 C ATOM 515 CG MET A 36 49.018 -7.249 1.406 1.00 1.00 C ATOM 516 SD MET A 36 49.374 -5.475 1.424 1.00 1.00 S ATOM 517 CE MET A 36 50.933 -5.546 0.507 1.00 1.00 C ATOM 0 H MET A 36 50.022 -8.814 4.191 1.00 1.00 H new ATOM 0 HA MET A 36 48.766 -6.151 3.970 1.00 1.00 H new ATOM 0 HB2 MET A 36 47.785 -8.643 2.505 1.00 1.00 H new ATOM 0 HB3 MET A 36 47.113 -7.028 2.402 1.00 1.00 H new ATOM 0 HG2 MET A 36 49.940 -7.817 1.528 1.00 1.00 H new ATOM 0 HG3 MET A 36 48.592 -7.536 0.444 1.00 1.00 H new ATOM 0 HE1 MET A 36 51.426 -4.575 0.551 1.00 1.00 H new ATOM 0 HE2 MET A 36 51.581 -6.302 0.950 1.00 1.00 H new ATOM 0 HE3 MET A 36 50.732 -5.804 -0.533 1.00 1.00 H new ATOM 527 N LEU A 37 47.724 -9.068 5.152 1.00 1.00 N ATOM 528 CA LEU A 37 46.908 -9.676 6.198 1.00 1.00 C ATOM 529 C LEU A 37 47.504 -9.395 7.574 1.00 1.00 C ATOM 530 O LEU A 37 47.058 -9.949 8.578 1.00 1.00 O ATOM 531 CB LEU A 37 46.818 -11.186 5.977 1.00 1.00 C ATOM 532 CG LEU A 37 46.548 -11.471 4.499 1.00 1.00 C ATOM 533 CD1 LEU A 37 46.363 -12.975 4.294 1.00 1.00 C ATOM 534 CD2 LEU A 37 45.277 -10.738 4.063 1.00 1.00 C ATOM 0 H LEU A 37 48.222 -9.733 4.560 1.00 1.00 H new ATOM 0 HA LEU A 37 45.909 -9.242 6.152 1.00 1.00 H new ATOM 0 HB2 LEU A 37 47.747 -11.665 6.287 1.00 1.00 H new ATOM 0 HB3 LEU A 37 46.022 -11.607 6.591 1.00 1.00 H new ATOM 0 HG LEU A 37 47.392 -11.124 3.903 1.00 1.00 H new ATOM 0 HD11 LEU A 37 46.171 -13.178 3.240 1.00 1.00 H new ATOM 0 HD12 LEU A 37 47.267 -13.499 4.605 1.00 1.00 H new ATOM 0 HD13 LEU A 37 45.519 -13.322 4.890 1.00 1.00 H new ATOM 0 HD21 LEU A 37 45.083 -10.940 3.010 1.00 1.00 H new ATOM 0 HD22 LEU A 37 44.434 -11.085 4.660 1.00 1.00 H new ATOM 0 HD23 LEU A 37 45.407 -9.666 4.208 1.00 1.00 H new ATOM 546 N VAL A 38 48.513 -8.532 7.612 1.00 1.00 N ATOM 547 CA VAL A 38 49.162 -8.186 8.871 1.00 1.00 C ATOM 548 C VAL A 38 49.490 -6.698 8.915 1.00 1.00 C ATOM 549 O VAL A 38 49.124 -5.999 9.861 1.00 1.00 O ATOM 550 CB VAL A 38 50.448 -8.998 9.036 1.00 1.00 C ATOM 551 CG1 VAL A 38 50.891 -8.963 10.501 1.00 1.00 C ATOM 552 CG2 VAL A 38 50.193 -10.447 8.617 1.00 1.00 C ATOM 0 H VAL A 38 48.897 -8.062 6.792 1.00 1.00 H new ATOM 0 HA VAL A 38 48.477 -8.419 9.686 1.00 1.00 H new ATOM 0 HB VAL A 38 51.230 -8.569 8.409 1.00 1.00 H new ATOM 0 HG11 VAL A 38 51.807 -9.542 10.618 1.00 1.00 H new ATOM 0 HG12 VAL A 38 51.073 -7.931 10.802 1.00 1.00 H new ATOM 0 HG13 VAL A 38 50.109 -9.391 11.128 1.00 1.00 H new ATOM 0 HG21 VAL A 38 51.109 -11.026 8.734 1.00 1.00 H new ATOM 0 HG22 VAL A 38 49.410 -10.875 9.244 1.00 1.00 H new ATOM 0 HG23 VAL A 38 49.878 -10.474 7.574 1.00 1.00 H new ATOM 562 N PHE A 39 50.179 -6.217 7.884 1.00 1.00 N ATOM 563 CA PHE A 39 50.549 -4.808 7.816 1.00 1.00 C ATOM 564 C PHE A 39 49.388 -3.930 8.272 1.00 1.00 C ATOM 565 O PHE A 39 49.537 -3.107 9.175 1.00 1.00 O ATOM 566 CB PHE A 39 50.941 -4.439 6.385 1.00 1.00 C ATOM 567 CG PHE A 39 52.093 -3.465 6.411 1.00 1.00 C ATOM 568 CD1 PHE A 39 53.379 -3.912 6.735 1.00 1.00 C ATOM 569 CD2 PHE A 39 51.875 -2.115 6.112 1.00 1.00 C ATOM 570 CE1 PHE A 39 54.449 -3.008 6.760 1.00 1.00 C ATOM 571 CE2 PHE A 39 52.945 -1.211 6.137 1.00 1.00 C ATOM 572 CZ PHE A 39 54.231 -1.658 6.460 1.00 1.00 C ATOM 0 H PHE A 39 50.490 -6.777 7.090 1.00 1.00 H new ATOM 0 HA PHE A 39 51.399 -4.641 8.478 1.00 1.00 H new ATOM 0 HB2 PHE A 39 51.222 -5.335 5.832 1.00 1.00 H new ATOM 0 HB3 PHE A 39 50.090 -3.998 5.866 1.00 1.00 H new ATOM 0 HD1 PHE A 39 53.547 -4.954 6.966 1.00 1.00 H new ATOM 0 HD2 PHE A 39 50.882 -1.770 5.862 1.00 1.00 H new ATOM 0 HE1 PHE A 39 55.441 -3.352 7.011 1.00 1.00 H new ATOM 0 HE2 PHE A 39 52.777 -0.169 5.907 1.00 1.00 H new ATOM 0 HZ PHE A 39 55.056 -0.961 6.478 1.00 1.00 H new ATOM 582 N LEU A 40 48.232 -4.115 7.641 1.00 1.00 N ATOM 583 CA LEU A 40 47.048 -3.339 7.990 1.00 1.00 C ATOM 584 C LEU A 40 46.074 -4.189 8.798 1.00 1.00 C ATOM 585 O LEU A 40 44.871 -4.193 8.535 1.00 1.00 O ATOM 586 CB LEU A 40 46.359 -2.838 6.718 1.00 1.00 C ATOM 587 CG LEU A 40 47.172 -1.692 6.114 1.00 1.00 C ATOM 588 CD1 LEU A 40 47.185 -1.823 4.590 1.00 1.00 C ATOM 589 CD2 LEU A 40 46.536 -0.356 6.504 1.00 1.00 C ATOM 0 H LEU A 40 48.091 -4.791 6.890 1.00 1.00 H new ATOM 0 HA LEU A 40 47.358 -2.486 8.594 1.00 1.00 H new ATOM 0 HB2 LEU A 40 46.266 -3.651 5.998 1.00 1.00 H new ATOM 0 HB3 LEU A 40 45.349 -2.499 6.948 1.00 1.00 H new ATOM 0 HG LEU A 40 48.194 -1.734 6.491 1.00 1.00 H new ATOM 0 HD11 LEU A 40 47.764 -1.006 4.160 1.00 1.00 H new ATOM 0 HD12 LEU A 40 47.637 -2.775 4.310 1.00 1.00 H new ATOM 0 HD13 LEU A 40 46.163 -1.781 4.213 1.00 1.00 H new ATOM 0 HD21 LEU A 40 47.115 0.462 6.074 1.00 1.00 H new ATOM 0 HD22 LEU A 40 45.514 -0.315 6.126 1.00 1.00 H new ATOM 0 HD23 LEU A 40 46.525 -0.261 7.590 1.00 1.00 H new ATOM 601 N LEU A 41 46.603 -4.910 9.780 1.00 1.00 N ATOM 602 CA LEU A 41 45.774 -5.765 10.622 1.00 1.00 C ATOM 603 C LEU A 41 46.528 -6.156 11.890 1.00 1.00 C ATOM 604 O LEU A 41 46.047 -5.938 13.001 1.00 1.00 O ATOM 605 CB LEU A 41 45.373 -7.025 9.841 1.00 1.00 C ATOM 606 CG LEU A 41 44.460 -7.916 10.694 1.00 1.00 C ATOM 607 CD1 LEU A 41 43.177 -7.162 11.052 1.00 1.00 C ATOM 608 CD2 LEU A 41 44.099 -9.173 9.899 1.00 1.00 C ATOM 0 H LEU A 41 47.596 -4.920 10.012 1.00 1.00 H new ATOM 0 HA LEU A 41 44.877 -5.216 10.908 1.00 1.00 H new ATOM 0 HB2 LEU A 41 44.860 -6.743 8.922 1.00 1.00 H new ATOM 0 HB3 LEU A 41 46.265 -7.580 9.551 1.00 1.00 H new ATOM 0 HG LEU A 41 44.982 -8.190 11.611 1.00 1.00 H new ATOM 0 HD11 LEU A 41 42.535 -7.802 11.657 1.00 1.00 H new ATOM 0 HD12 LEU A 41 43.428 -6.263 11.615 1.00 1.00 H new ATOM 0 HD13 LEU A 41 42.652 -6.882 10.138 1.00 1.00 H new ATOM 0 HD21 LEU A 41 43.450 -9.810 10.500 1.00 1.00 H new ATOM 0 HD22 LEU A 41 43.580 -8.888 8.984 1.00 1.00 H new ATOM 0 HD23 LEU A 41 45.009 -9.717 9.646 1.00 1.00 H new ATOM 620 N GLY A 42 47.712 -6.736 11.714 1.00 1.00 N ATOM 621 CA GLY A 42 48.522 -7.154 12.851 1.00 1.00 C ATOM 622 C GLY A 42 49.108 -5.950 13.581 1.00 1.00 C ATOM 623 O GLY A 42 50.038 -6.085 14.375 1.00 1.00 O ATOM 0 H GLY A 42 48.128 -6.926 10.802 1.00 1.00 H new ATOM 0 HA2 GLY A 42 47.913 -7.739 13.540 1.00 1.00 H new ATOM 0 HA3 GLY A 42 49.328 -7.803 12.508 1.00 1.00 H new ATOM 627 N THR A 43 48.556 -4.772 13.307 1.00 1.00 N ATOM 628 CA THR A 43 49.033 -3.550 13.944 1.00 1.00 C ATOM 629 C THR A 43 48.067 -2.398 13.686 1.00 1.00 C ATOM 630 O THR A 43 47.208 -2.098 14.514 1.00 1.00 O ATOM 631 CB THR A 43 50.420 -3.187 13.408 1.00 1.00 C ATOM 632 OG1 THR A 43 50.557 -1.772 13.378 1.00 1.00 O ATOM 633 CG2 THR A 43 50.588 -3.748 11.996 1.00 1.00 C ATOM 0 H THR A 43 47.784 -4.638 12.654 1.00 1.00 H new ATOM 0 HA THR A 43 49.094 -3.723 15.018 1.00 1.00 H new ATOM 0 HB THR A 43 51.184 -3.614 14.057 1.00 1.00 H new ATOM 0 HG1 THR A 43 51.445 -1.536 13.037 1.00 1.00 H new ATOM 0 HG21 THR A 43 51.576 -3.488 11.616 1.00 1.00 H new ATOM 0 HG22 THR A 43 50.482 -4.833 12.020 1.00 1.00 H new ATOM 0 HG23 THR A 43 49.825 -3.324 11.343 1.00 1.00 H new ATOM 641 N THR A 44 48.215 -1.757 12.531 1.00 1.00 N ATOM 642 CA THR A 44 47.350 -0.640 12.171 1.00 1.00 C ATOM 643 C THR A 44 47.366 0.424 13.264 1.00 1.00 C ATOM 644 O THR A 44 46.601 1.388 13.216 1.00 1.00 O ATOM 645 CB THR A 44 45.917 -1.134 11.958 1.00 1.00 C ATOM 646 OG1 THR A 44 45.201 -1.042 13.182 1.00 1.00 O ATOM 647 CG2 THR A 44 45.940 -2.588 11.486 1.00 1.00 C ATOM 0 H THR A 44 48.921 -1.990 11.833 1.00 1.00 H new ATOM 0 HA THR A 44 47.723 -0.201 11.246 1.00 1.00 H new ATOM 0 HB THR A 44 45.428 -0.519 11.203 1.00 1.00 H new ATOM 0 HG1 THR A 44 45.619 -1.625 13.850 1.00 1.00 H new ATOM 0 HG21 THR A 44 44.919 -2.938 11.335 1.00 1.00 H new ATOM 0 HG22 THR A 44 46.490 -2.657 10.547 1.00 1.00 H new ATOM 0 HG23 THR A 44 46.428 -3.207 12.239 1.00 1.00 H new ATOM 655 N GLY A 45 48.241 0.243 14.248 1.00 1.00 N ATOM 656 CA GLY A 45 48.345 1.194 15.347 1.00 1.00 C ATOM 657 C GLY A 45 47.269 0.936 16.395 1.00 1.00 C ATOM 658 O GLY A 45 46.920 1.823 17.174 1.00 1.00 O ATOM 0 H GLY A 45 48.883 -0.547 14.307 1.00 1.00 H new ATOM 0 HA2 GLY A 45 49.331 1.118 15.806 1.00 1.00 H new ATOM 0 HA3 GLY A 45 48.249 2.210 14.964 1.00 1.00 H new ATOM 662 N ASN A 46 46.747 -0.287 16.408 1.00 1.00 N ATOM 663 CA ASN A 46 45.710 -0.658 17.365 1.00 1.00 C ATOM 664 C ASN A 46 46.029 -2.007 17.999 1.00 1.00 C ATOM 665 O ASN A 46 45.190 -2.598 18.680 1.00 1.00 O ATOM 666 CB ASN A 46 44.353 -0.731 16.662 1.00 1.00 C ATOM 667 CG ASN A 46 44.046 0.599 15.981 1.00 1.00 C ATOM 668 OD1 ASN A 46 43.279 1.405 16.508 1.00 1.00 O ATOM 669 ND2 ASN A 46 44.604 0.877 14.834 1.00 1.00 N ATOM 0 H ASN A 46 47.023 -1.034 15.771 1.00 1.00 H new ATOM 0 HA ASN A 46 45.673 0.100 18.147 1.00 1.00 H new ATOM 0 HB2 ASN A 46 44.359 -1.534 15.925 1.00 1.00 H new ATOM 0 HB3 ASN A 46 43.572 -0.968 17.385 1.00 1.00 H new ATOM 0 HD21 ASN A 46 44.405 1.764 14.372 1.00 1.00 H new ATOM 0 HD22 ASN A 46 45.239 0.207 14.400 1.00 1.00 H new ATOM 676 N GLY A 47 47.248 -2.489 17.770 1.00 1.00 N ATOM 677 CA GLY A 47 47.675 -3.770 18.323 1.00 1.00 C ATOM 678 C GLY A 47 49.041 -3.647 18.986 1.00 1.00 C ATOM 679 O GLY A 47 49.721 -4.646 19.221 1.00 1.00 O ATOM 0 H GLY A 47 47.954 -2.014 17.208 1.00 1.00 H new ATOM 0 HA2 GLY A 47 46.943 -4.119 19.051 1.00 1.00 H new ATOM 0 HA3 GLY A 47 47.717 -4.517 17.530 1.00 1.00 H new ATOM 683 N LEU A 48 49.439 -2.415 19.288 1.00 1.00 N ATOM 684 CA LEU A 48 50.729 -2.173 19.925 1.00 1.00 C ATOM 685 C LEU A 48 50.750 -0.797 20.585 1.00 1.00 C ATOM 686 O LEU A 48 51.817 -0.235 20.832 1.00 1.00 O ATOM 687 CB LEU A 48 51.850 -2.260 18.888 1.00 1.00 C ATOM 688 CG LEU A 48 51.558 -1.296 17.737 1.00 1.00 C ATOM 689 CD1 LEU A 48 52.755 -0.367 17.532 1.00 1.00 C ATOM 690 CD2 LEU A 48 51.308 -2.095 16.455 1.00 1.00 C ATOM 0 H LEU A 48 48.892 -1.574 19.104 1.00 1.00 H new ATOM 0 HA LEU A 48 50.883 -2.934 20.690 1.00 1.00 H new ATOM 0 HB2 LEU A 48 52.806 -2.013 19.349 1.00 1.00 H new ATOM 0 HB3 LEU A 48 51.932 -3.279 18.511 1.00 1.00 H new ATOM 0 HG LEU A 48 50.675 -0.703 17.975 1.00 1.00 H new ATOM 0 HD11 LEU A 48 52.546 0.320 16.712 1.00 1.00 H new ATOM 0 HD12 LEU A 48 52.935 0.202 18.444 1.00 1.00 H new ATOM 0 HD13 LEU A 48 53.639 -0.959 17.294 1.00 1.00 H new ATOM 0 HD21 LEU A 48 51.100 -1.409 15.634 1.00 1.00 H new ATOM 0 HD22 LEU A 48 52.191 -2.688 16.218 1.00 1.00 H new ATOM 0 HD23 LEU A 48 50.455 -2.758 16.600 1.00 1.00 H new ATOM 702 N VAL A 49 49.566 -0.264 20.867 1.00 1.00 N ATOM 703 CA VAL A 49 49.458 1.047 21.500 1.00 1.00 C ATOM 704 C VAL A 49 48.434 1.014 22.630 1.00 1.00 C ATOM 705 O VAL A 49 48.722 1.425 23.754 1.00 1.00 O ATOM 706 CB VAL A 49 49.043 2.095 20.464 1.00 1.00 C ATOM 707 CG1 VAL A 49 49.384 3.492 20.985 1.00 1.00 C ATOM 708 CG2 VAL A 49 49.795 1.842 19.155 1.00 1.00 C ATOM 0 H VAL A 49 48.673 -0.715 20.669 1.00 1.00 H new ATOM 0 HA VAL A 49 50.431 1.311 21.914 1.00 1.00 H new ATOM 0 HB VAL A 49 47.970 2.026 20.287 1.00 1.00 H new ATOM 0 HG11 VAL A 49 49.088 4.238 20.247 1.00 1.00 H new ATOM 0 HG12 VAL A 49 48.850 3.673 21.918 1.00 1.00 H new ATOM 0 HG13 VAL A 49 50.457 3.562 21.162 1.00 1.00 H new ATOM 0 HG21 VAL A 49 49.501 2.587 18.416 1.00 1.00 H new ATOM 0 HG22 VAL A 49 50.868 1.911 19.333 1.00 1.00 H new ATOM 0 HG23 VAL A 49 49.553 0.847 18.783 1.00 1.00 H new ATOM 718 N LEU A 50 47.238 0.522 22.324 1.00 1.00 N ATOM 719 CA LEU A 50 46.179 0.439 23.322 1.00 1.00 C ATOM 720 C LEU A 50 46.049 -0.986 23.850 1.00 1.00 C ATOM 721 O LEU A 50 45.462 -1.216 24.907 1.00 1.00 O ATOM 722 CB LEU A 50 44.848 0.881 22.710 1.00 1.00 C ATOM 723 CG LEU A 50 44.497 -0.034 21.534 1.00 1.00 C ATOM 724 CD1 LEU A 50 43.398 -1.010 21.956 1.00 1.00 C ATOM 725 CD2 LEU A 50 44.003 0.814 20.360 1.00 1.00 C ATOM 0 H LEU A 50 46.979 0.177 21.400 1.00 1.00 H new ATOM 0 HA LEU A 50 46.435 1.099 24.151 1.00 1.00 H new ATOM 0 HB2 LEU A 50 44.060 0.843 23.462 1.00 1.00 H new ATOM 0 HB3 LEU A 50 44.917 1.915 22.372 1.00 1.00 H new ATOM 0 HG LEU A 50 45.382 -0.594 21.232 1.00 1.00 H new ATOM 0 HD11 LEU A 50 43.148 -1.661 21.118 1.00 1.00 H new ATOM 0 HD12 LEU A 50 43.749 -1.614 22.793 1.00 1.00 H new ATOM 0 HD13 LEU A 50 42.512 -0.452 22.258 1.00 1.00 H new ATOM 0 HD21 LEU A 50 43.753 0.164 19.522 1.00 1.00 H new ATOM 0 HD22 LEU A 50 43.118 1.373 20.662 1.00 1.00 H new ATOM 0 HD23 LEU A 50 44.786 1.509 20.059 1.00 1.00 H new ATOM 737 N TRP A 51 46.603 -1.939 23.107 1.00 1.00 N ATOM 738 CA TRP A 51 46.544 -3.339 23.512 1.00 1.00 C ATOM 739 C TRP A 51 47.703 -3.678 24.442 1.00 1.00 C ATOM 740 O TRP A 51 47.724 -4.742 25.062 1.00 1.00 O ATOM 741 CB TRP A 51 46.598 -4.241 22.277 1.00 1.00 C ATOM 742 CG TRP A 51 47.570 -5.351 22.513 1.00 1.00 C ATOM 743 CD1 TRP A 51 48.900 -5.282 22.273 1.00 1.00 C ATOM 744 CD2 TRP A 51 47.316 -6.690 23.027 1.00 1.00 C ATOM 745 NE1 TRP A 51 49.478 -6.493 22.608 1.00 1.00 N ATOM 746 CE2 TRP A 51 48.543 -7.394 23.078 1.00 1.00 C ATOM 747 CE3 TRP A 51 46.152 -7.356 23.451 1.00 1.00 C ATOM 748 CZ2 TRP A 51 48.612 -8.711 23.532 1.00 1.00 C ATOM 749 CZ3 TRP A 51 46.218 -8.682 23.908 1.00 1.00 C ATOM 750 CH2 TRP A 51 47.446 -9.358 23.949 1.00 1.00 C ATOM 0 H TRP A 51 47.094 -1.770 22.229 1.00 1.00 H new ATOM 0 HA TRP A 51 45.607 -3.505 24.044 1.00 1.00 H new ATOM 0 HB2 TRP A 51 45.609 -4.648 22.067 1.00 1.00 H new ATOM 0 HB3 TRP A 51 46.896 -3.662 21.403 1.00 1.00 H new ATOM 0 HD1 TRP A 51 49.424 -4.422 21.884 1.00 1.00 H new ATOM 0 HE1 TRP A 51 50.474 -6.696 22.519 1.00 1.00 H new ATOM 0 HE3 TRP A 51 45.201 -6.844 23.425 1.00 1.00 H new ATOM 0 HZ2 TRP A 51 49.560 -9.227 23.561 1.00 1.00 H new ATOM 0 HZ3 TRP A 51 45.318 -9.184 24.230 1.00 1.00 H new ATOM 0 HH2 TRP A 51 47.490 -10.378 24.303 1.00 1.00 H new ATOM 761 N THR A 52 48.666 -2.766 24.537 1.00 1.00 N ATOM 762 CA THR A 52 49.824 -2.979 25.396 1.00 1.00 C ATOM 763 C THR A 52 49.512 -2.561 26.830 1.00 1.00 C ATOM 764 O THR A 52 50.098 -3.081 27.780 1.00 1.00 O ATOM 765 CB THR A 52 51.016 -2.172 24.876 1.00 1.00 C ATOM 766 OG1 THR A 52 52.208 -2.641 25.491 1.00 1.00 O ATOM 767 CG2 THR A 52 50.816 -0.692 25.206 1.00 1.00 C ATOM 0 H THR A 52 48.667 -1.879 24.033 1.00 1.00 H new ATOM 0 HA THR A 52 50.071 -4.041 25.384 1.00 1.00 H new ATOM 0 HB THR A 52 51.093 -2.293 23.795 1.00 1.00 H new ATOM 0 HG1 THR A 52 52.972 -2.126 25.158 1.00 1.00 H new ATOM 0 HG21 THR A 52 51.666 -0.119 24.835 1.00 1.00 H new ATOM 0 HG22 THR A 52 49.902 -0.334 24.732 1.00 1.00 H new ATOM 0 HG23 THR A 52 50.738 -0.567 26.286 1.00 1.00 H new ATOM 775 N VAL A 53 48.585 -1.620 26.978 1.00 1.00 N ATOM 776 CA VAL A 53 48.203 -1.140 28.301 1.00 1.00 C ATOM 777 C VAL A 53 47.463 -2.228 29.072 1.00 1.00 C ATOM 778 O VAL A 53 47.431 -2.217 30.304 1.00 1.00 O ATOM 779 CB VAL A 53 47.308 0.093 28.171 1.00 1.00 C ATOM 780 CG1 VAL A 53 47.260 0.834 29.507 1.00 1.00 C ATOM 781 CG2 VAL A 53 47.876 1.022 27.094 1.00 1.00 C ATOM 0 H VAL A 53 48.088 -1.178 26.205 1.00 1.00 H new ATOM 0 HA VAL A 53 49.109 -0.875 28.846 1.00 1.00 H new ATOM 0 HB VAL A 53 46.301 -0.217 27.892 1.00 1.00 H new ATOM 0 HG11 VAL A 53 46.622 1.713 29.413 1.00 1.00 H new ATOM 0 HG12 VAL A 53 46.857 0.174 30.275 1.00 1.00 H new ATOM 0 HG13 VAL A 53 48.266 1.145 29.787 1.00 1.00 H new ATOM 0 HG21 VAL A 53 47.239 1.902 27.000 1.00 1.00 H new ATOM 0 HG22 VAL A 53 48.883 1.331 27.374 1.00 1.00 H new ATOM 0 HG23 VAL A 53 47.910 0.495 26.140 1.00 1.00 H new ATOM 791 N PHE A 54 46.869 -3.166 28.341 1.00 1.00 N ATOM 792 CA PHE A 54 46.132 -4.257 28.968 1.00 1.00 C ATOM 793 C PHE A 54 47.000 -5.507 29.058 1.00 1.00 C ATOM 794 O PHE A 54 46.497 -6.608 29.288 1.00 1.00 O ATOM 795 CB PHE A 54 44.870 -4.565 28.159 1.00 1.00 C ATOM 796 CG PHE A 54 43.650 -4.179 28.963 1.00 1.00 C ATOM 797 CD1 PHE A 54 43.521 -2.875 29.453 1.00 1.00 C ATOM 798 CD2 PHE A 54 42.648 -5.124 29.217 1.00 1.00 C ATOM 799 CE1 PHE A 54 42.391 -2.514 30.197 1.00 1.00 C ATOM 800 CE2 PHE A 54 41.519 -4.765 29.962 1.00 1.00 C ATOM 801 CZ PHE A 54 41.390 -3.459 30.451 1.00 1.00 C ATOM 0 H PHE A 54 46.883 -3.193 27.321 1.00 1.00 H new ATOM 0 HA PHE A 54 45.852 -3.951 29.976 1.00 1.00 H new ATOM 0 HB2 PHE A 54 44.886 -4.017 27.217 1.00 1.00 H new ATOM 0 HB3 PHE A 54 44.834 -5.626 27.910 1.00 1.00 H new ATOM 0 HD1 PHE A 54 44.294 -2.146 29.257 1.00 1.00 H new ATOM 0 HD2 PHE A 54 42.747 -6.130 28.838 1.00 1.00 H new ATOM 0 HE1 PHE A 54 42.292 -1.507 30.575 1.00 1.00 H new ATOM 0 HE2 PHE A 54 40.748 -5.495 30.160 1.00 1.00 H new ATOM 0 HZ PHE A 54 40.518 -3.181 31.024 1.00 1.00 H new ATOM 811 N ARG A 55 48.305 -5.330 28.878 1.00 1.00 N ATOM 812 CA ARG A 55 49.236 -6.451 28.941 1.00 1.00 C ATOM 813 C ARG A 55 50.473 -6.076 29.751 1.00 1.00 C ATOM 814 O ARG A 55 50.914 -6.836 30.614 1.00 1.00 O ATOM 815 CB ARG A 55 49.655 -6.862 27.527 1.00 1.00 C ATOM 816 CG ARG A 55 50.831 -7.837 27.608 1.00 1.00 C ATOM 817 CD ARG A 55 50.756 -8.824 26.442 1.00 1.00 C ATOM 818 NE ARG A 55 49.872 -9.935 26.778 1.00 1.00 N ATOM 819 CZ ARG A 55 49.949 -11.093 26.131 1.00 1.00 C ATOM 820 NH1 ARG A 55 50.824 -11.251 25.177 1.00 1.00 N ATOM 821 NH2 ARG A 55 49.148 -12.073 26.450 1.00 1.00 N ATOM 0 H ARG A 55 48.740 -4.427 28.688 1.00 1.00 H new ATOM 0 HA ARG A 55 48.736 -7.287 29.429 1.00 1.00 H new ATOM 0 HB2 ARG A 55 48.817 -7.328 27.009 1.00 1.00 H new ATOM 0 HB3 ARG A 55 49.937 -5.982 26.949 1.00 1.00 H new ATOM 0 HG2 ARG A 55 51.773 -7.290 27.576 1.00 1.00 H new ATOM 0 HG3 ARG A 55 50.807 -8.375 28.556 1.00 1.00 H new ATOM 0 HD2 ARG A 55 50.391 -8.316 25.549 1.00 1.00 H new ATOM 0 HD3 ARG A 55 51.752 -9.200 26.210 1.00 1.00 H new ATOM 0 HE ARG A 55 49.183 -9.821 27.522 1.00 1.00 H new ATOM 0 HH11 ARG A 55 51.450 -10.485 24.927 1.00 1.00 H new ATOM 0 HH12 ARG A 55 50.883 -12.140 24.681 1.00 1.00 H new ATOM 0 HH21 ARG A 55 48.463 -11.950 27.196 1.00 1.00 H new ATOM 0 HH22 ARG A 55 49.207 -12.962 25.953 1.00 1.00 H new ATOM 835 N LYS A 56 51.026 -4.902 29.469 1.00 1.00 N ATOM 836 CA LYS A 56 52.211 -4.437 30.179 1.00 1.00 C ATOM 837 C LYS A 56 51.939 -4.350 31.678 1.00 1.00 C ATOM 838 O LYS A 56 52.843 -4.078 32.468 1.00 1.00 O ATOM 839 CB LYS A 56 52.629 -3.062 29.654 1.00 1.00 C ATOM 840 CG LYS A 56 51.485 -2.068 29.857 1.00 1.00 C ATOM 841 CD LYS A 56 51.809 -1.149 31.036 1.00 1.00 C ATOM 842 CE LYS A 56 50.610 -0.243 31.324 1.00 1.00 C ATOM 843 NZ LYS A 56 50.842 0.499 32.595 1.00 1.00 N ATOM 0 H LYS A 56 50.676 -4.259 28.759 1.00 1.00 H new ATOM 0 HA LYS A 56 53.017 -5.151 30.008 1.00 1.00 H new ATOM 0 HB2 LYS A 56 53.521 -2.717 30.177 1.00 1.00 H new ATOM 0 HB3 LYS A 56 52.885 -3.127 28.596 1.00 1.00 H new ATOM 0 HG2 LYS A 56 51.337 -1.478 28.952 1.00 1.00 H new ATOM 0 HG3 LYS A 56 50.554 -2.603 30.044 1.00 1.00 H new ATOM 0 HD2 LYS A 56 52.049 -1.743 31.918 1.00 1.00 H new ATOM 0 HD3 LYS A 56 52.688 -0.545 30.809 1.00 1.00 H new ATOM 0 HE2 LYS A 56 50.465 0.458 30.502 1.00 1.00 H new ATOM 0 HE3 LYS A 56 49.700 -0.839 31.399 1.00 1.00 H new ATOM 0 HZ1 LYS A 56 50.027 1.115 32.791 1.00 1.00 H new ATOM 0 HZ2 LYS A 56 50.960 -0.178 33.376 1.00 1.00 H new ATOM 0 HZ3 LYS A 56 51.701 1.079 32.507 1.00 1.00 H new ATOM 857 N LYS A 57 50.688 -4.582 32.060 1.00 1.00 N ATOM 858 CA LYS A 57 50.307 -4.527 33.467 1.00 1.00 C ATOM 859 C LYS A 57 50.205 -5.933 34.050 1.00 1.00 C ATOM 860 O LYS A 57 50.087 -6.105 35.263 1.00 1.00 O ATOM 861 CB LYS A 57 48.964 -3.811 33.618 1.00 1.00 C ATOM 862 CG LYS A 57 47.896 -4.553 32.812 1.00 1.00 C ATOM 863 CD LYS A 57 46.879 -5.179 33.767 1.00 1.00 C ATOM 864 CE LYS A 57 46.067 -4.074 34.445 1.00 1.00 C ATOM 865 NZ LYS A 57 44.651 -4.143 33.984 1.00 1.00 N ATOM 0 H LYS A 57 49.926 -4.808 31.421 1.00 1.00 H new ATOM 0 HA LYS A 57 51.075 -3.976 34.010 1.00 1.00 H new ATOM 0 HB2 LYS A 57 48.678 -3.770 34.669 1.00 1.00 H new ATOM 0 HB3 LYS A 57 49.048 -2.782 33.270 1.00 1.00 H new ATOM 0 HG2 LYS A 57 47.395 -3.865 32.131 1.00 1.00 H new ATOM 0 HG3 LYS A 57 48.359 -5.326 32.199 1.00 1.00 H new ATOM 0 HD2 LYS A 57 46.215 -5.849 33.220 1.00 1.00 H new ATOM 0 HD3 LYS A 57 47.392 -5.781 34.518 1.00 1.00 H new ATOM 0 HE2 LYS A 57 46.114 -4.186 35.528 1.00 1.00 H new ATOM 0 HE3 LYS A 57 46.491 -3.098 34.207 1.00 1.00 H new ATOM 0 HZ1 LYS A 57 44.099 -3.392 34.445 1.00 1.00 H new ATOM 0 HZ2 LYS A 57 44.615 -4.016 32.952 1.00 1.00 H new ATOM 0 HZ3 LYS A 57 44.250 -5.070 34.233 1.00 1.00 H new ATOM 879 N GLY A 58 50.251 -6.935 33.177 1.00 1.00 N ATOM 880 CA GLY A 58 50.163 -8.322 33.617 1.00 1.00 C ATOM 881 C GLY A 58 50.277 -9.277 32.435 1.00 1.00 C ATOM 882 O GLY A 58 49.271 -9.689 31.857 1.00 1.00 O ATOM 0 H GLY A 58 50.348 -6.814 32.169 1.00 1.00 H new ATOM 0 HA2 GLY A 58 50.956 -8.530 34.336 1.00 1.00 H new ATOM 0 HA3 GLY A 58 49.216 -8.485 34.131 1.00 1.00 H new ATOM 886 N HIS A 59 51.510 -9.625 32.079 1.00 1.00 N ATOM 887 CA HIS A 59 51.744 -10.533 30.962 1.00 1.00 C ATOM 888 C HIS A 59 51.037 -11.864 31.196 1.00 1.00 C ATOM 889 O HIS A 59 50.856 -12.654 30.270 1.00 1.00 O ATOM 890 CB HIS A 59 53.245 -10.773 30.791 1.00 1.00 C ATOM 891 CG HIS A 59 53.744 -10.002 29.600 1.00 1.00 C ATOM 892 ND1 HIS A 59 54.634 -10.546 28.687 1.00 1.00 N ATOM 893 CD2 HIS A 59 53.487 -8.727 29.158 1.00 1.00 C ATOM 894 CE1 HIS A 59 54.878 -9.610 27.752 1.00 1.00 C ATOM 895 NE2 HIS A 59 54.205 -8.482 27.991 1.00 1.00 N ATOM 0 H HIS A 59 52.356 -9.295 32.544 1.00 1.00 H new ATOM 0 HA HIS A 59 51.343 -10.077 30.057 1.00 1.00 H new ATOM 0 HB2 HIS A 59 53.778 -10.461 31.689 1.00 1.00 H new ATOM 0 HB3 HIS A 59 53.441 -11.837 30.657 1.00 1.00 H new ATOM 0 HD2 HIS A 59 52.828 -8.022 29.642 1.00 1.00 H new ATOM 0 HE1 HIS A 59 55.539 -9.754 26.910 1.00 1.00 H new ATOM 0 HE2 HIS A 59 54.215 -7.625 27.438 1.00 1.00 H new ATOM 903 N HIS A 60 50.641 -12.106 32.442 1.00 1.00 N ATOM 904 CA HIS A 60 49.955 -13.347 32.787 1.00 1.00 C ATOM 905 C HIS A 60 48.665 -13.486 31.985 1.00 1.00 C ATOM 906 O HIS A 60 48.694 -13.616 30.761 1.00 1.00 O ATOM 907 CB HIS A 60 49.633 -13.366 34.282 1.00 1.00 C ATOM 908 CG HIS A 60 50.903 -13.204 35.071 1.00 1.00 C ATOM 909 ND1 HIS A 60 51.568 -14.284 35.631 1.00 1.00 N ATOM 910 CD2 HIS A 60 51.642 -12.096 35.403 1.00 1.00 C ATOM 911 CE1 HIS A 60 52.656 -13.807 36.265 1.00 1.00 C ATOM 912 NE2 HIS A 60 52.748 -12.479 36.157 1.00 1.00 N ATOM 0 H HIS A 60 50.782 -11.466 33.223 1.00 1.00 H new ATOM 0 HA HIS A 60 50.611 -14.183 32.546 1.00 1.00 H new ATOM 0 HB2 HIS A 60 48.937 -12.563 34.525 1.00 1.00 H new ATOM 0 HB3 HIS A 60 49.144 -14.303 34.548 1.00 1.00 H new ATOM 0 HD2 HIS A 60 51.402 -11.081 35.122 1.00 1.00 H new ATOM 0 HE1 HIS A 60 53.367 -14.423 36.796 1.00 1.00 H new ATOM 0 HE2 HIS A 60 53.473 -11.875 36.544 1.00 1.00 H new ATOM 920 N HIS A 61 47.534 -13.458 32.684 1.00 1.00 N ATOM 921 CA HIS A 61 46.239 -13.583 32.026 1.00 1.00 C ATOM 922 C HIS A 61 45.238 -12.599 32.624 1.00 1.00 C ATOM 923 O HIS A 61 44.523 -12.926 33.570 1.00 1.00 O ATOM 924 CB HIS A 61 45.710 -15.010 32.181 1.00 1.00 C ATOM 925 CG HIS A 61 44.654 -15.269 31.142 1.00 1.00 C ATOM 926 ND1 HIS A 61 44.658 -16.410 30.353 1.00 1.00 N ATOM 927 CD2 HIS A 61 43.554 -14.547 30.750 1.00 1.00 C ATOM 928 CE1 HIS A 61 43.592 -16.341 29.536 1.00 1.00 C ATOM 929 NE2 HIS A 61 42.885 -15.225 29.736 1.00 1.00 N ATOM 0 H HIS A 61 47.488 -13.351 33.697 1.00 1.00 H new ATOM 0 HA HIS A 61 46.366 -13.356 30.967 1.00 1.00 H new ATOM 0 HB2 HIS A 61 46.525 -15.725 32.072 1.00 1.00 H new ATOM 0 HB3 HIS A 61 45.295 -15.149 33.179 1.00 1.00 H new ATOM 0 HD2 HIS A 61 43.254 -13.597 31.166 1.00 1.00 H new ATOM 0 HE1 HIS A 61 43.338 -17.096 28.807 1.00 1.00 H new ATOM 0 HE2 HIS A 61 42.037 -14.933 29.250 1.00 1.00 H new ATOM 937 N HIS A 62 45.194 -11.395 32.064 1.00 1.00 N ATOM 938 CA HIS A 62 44.277 -10.370 32.550 1.00 1.00 C ATOM 939 C HIS A 62 43.629 -9.633 31.382 1.00 1.00 C ATOM 940 O HIS A 62 44.248 -8.766 30.763 1.00 1.00 O ATOM 941 CB HIS A 62 45.029 -9.372 33.432 1.00 1.00 C ATOM 942 CG HIS A 62 44.411 -9.349 34.803 1.00 1.00 C ATOM 943 ND1 HIS A 62 43.550 -8.341 35.210 1.00 1.00 N ATOM 944 CD2 HIS A 62 44.520 -10.204 35.872 1.00 1.00 C ATOM 945 CE1 HIS A 62 43.178 -8.611 36.474 1.00 1.00 C ATOM 946 NE2 HIS A 62 43.740 -9.736 36.926 1.00 1.00 N ATOM 0 H HIS A 62 45.778 -11.106 31.279 1.00 1.00 H new ATOM 0 HA HIS A 62 43.497 -10.856 33.136 1.00 1.00 H new ATOM 0 HB2 HIS A 62 46.080 -9.651 33.500 1.00 1.00 H new ATOM 0 HB3 HIS A 62 44.991 -8.377 32.988 1.00 1.00 H new ATOM 0 HD2 HIS A 62 45.119 -11.102 35.892 1.00 1.00 H new ATOM 0 HE1 HIS A 62 42.507 -7.994 37.053 1.00 1.00 H new ATOM 0 HE2 HIS A 62 43.623 -10.161 37.846 1.00 1.00 H new ATOM 954 N HIS A 63 42.382 -9.985 31.085 1.00 1.00 N ATOM 955 CA HIS A 63 41.658 -9.354 29.992 1.00 1.00 C ATOM 956 C HIS A 63 40.248 -8.990 30.430 1.00 1.00 C ATOM 957 O HIS A 63 40.008 -8.662 31.592 1.00 1.00 O ATOM 958 CB HIS A 63 41.593 -10.305 28.794 1.00 1.00 C ATOM 959 CG HIS A 63 41.526 -9.506 27.522 1.00 1.00 C ATOM 960 ND1 HIS A 63 40.552 -9.728 26.560 1.00 1.00 N ATOM 961 CD2 HIS A 63 42.302 -8.481 27.040 1.00 1.00 C ATOM 962 CE1 HIS A 63 40.767 -8.857 25.557 1.00 1.00 C ATOM 963 NE2 HIS A 63 41.822 -8.074 25.799 1.00 1.00 N ATOM 0 H HIS A 63 41.855 -10.701 31.585 1.00 1.00 H new ATOM 0 HA HIS A 63 42.185 -8.444 29.705 1.00 1.00 H new ATOM 0 HB2 HIS A 63 42.469 -10.953 28.783 1.00 1.00 H new ATOM 0 HB3 HIS A 63 40.719 -10.951 28.876 1.00 1.00 H new ATOM 0 HD2 HIS A 63 43.155 -8.055 27.547 1.00 1.00 H new ATOM 0 HE1 HIS A 63 40.161 -8.798 24.665 1.00 1.00 H new ATOM 0 HE2 HIS A 63 42.196 -7.336 25.202 1.00 1.00 H new ATOM 971 N HIS A 64 39.324 -9.054 29.488 1.00 1.00 N ATOM 972 CA HIS A 64 37.930 -8.732 29.768 1.00 1.00 C ATOM 973 C HIS A 64 37.834 -7.497 30.659 1.00 1.00 C ATOM 974 O HIS A 64 36.782 -7.293 31.242 1.00 1.00 O ATOM 975 CB HIS A 64 37.248 -9.915 30.457 1.00 1.00 C ATOM 976 CG HIS A 64 35.778 -9.634 30.600 1.00 1.00 C ATOM 977 ND1 HIS A 64 35.086 -9.897 31.772 1.00 1.00 N ATOM 978 CD2 HIS A 64 34.853 -9.115 29.727 1.00 1.00 C ATOM 979 CE1 HIS A 64 33.805 -9.537 31.577 1.00 1.00 C ATOM 980 NE2 HIS A 64 33.608 -9.054 30.346 1.00 1.00 N ATOM 981 OXT HIS A 64 38.813 -6.775 30.745 1.00 1.00 O ATOM 0 H HIS A 64 39.510 -9.325 28.523 1.00 1.00 H new ATOM 0 HA HIS A 64 37.428 -8.524 28.823 1.00 1.00 H new ATOM 0 HB2 HIS A 64 37.400 -10.825 29.876 1.00 1.00 H new ATOM 0 HB3 HIS A 64 37.694 -10.085 31.437 1.00 1.00 H new ATOM 0 HD2 HIS A 64 35.060 -8.802 28.714 1.00 1.00 H new ATOM 0 HE1 HIS A 64 33.030 -9.627 32.324 1.00 1.00 H new ATOM 0 HE2 HIS A 64 32.733 -8.714 29.946 1.00 1.00 H new TER 989 HIS A 64