USER MOD reduce.3.24.130724 H: found=0, std=0, add=448, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 448 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 Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 7 THR OG1 : rot -137:sc= 0.874 USER MOD Single : A 8 SER OG : rot 180:sc= 0.00905 USER MOD Single : A 12 MET CE :methyl 138:sc= -1.21 (180deg=-3.49!) USER MOD Single : A 13 ASN : amide:sc= -0.502 X(o=-0.5,f=-0.05) USER MOD Single : A 20 LYS NZ :NH3+ 161:sc= -0.0478 (180deg=-0.322) USER MOD Single : A 23 GLN : amide:sc= -0.576 K(o=-0.58,f=-2.6!) USER MOD Single : A 28 SER OG : rot 83:sc= 1.2 USER MOD Single : A 29 SER OG : rot 87:sc= 1.24 USER MOD Single : A 31 LYS NZ :NH3+ 169:sc= -0.0223 (180deg=-0.143) USER MOD Single : A 33 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 34 ASN : amide:sc= -0.183 X(o=-0.18,f=-0.031) USER MOD Single : A 37 THR OG1 : rot 180:sc= -0.0978 USER MOD Single : A 39 HIS : no HD1:sc= 0.853 K(o=0.85,f=-5.5!) USER MOD Single : A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 52 SER OG : rot 180:sc= -0.494 USER MOD Single : A 56 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 ASN : amide:sc= -0.218 X(o=-0.22,f=-0.037) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 4.057 0.202 -16.122 1.00 0.00 N ATOM 2 CA GLY A 1 3.272 1.435 -15.941 1.00 0.00 C ATOM 3 C GLY A 1 1.799 1.209 -16.184 1.00 0.00 C ATOM 4 O GLY A 1 1.170 0.416 -15.484 1.00 0.00 O ATOM 0 H1 GLY A 1 5.062 0.402 -15.946 1.00 0.00 H new ATOM 0 H2 GLY A 1 3.725 -0.522 -15.453 1.00 0.00 H new ATOM 0 H3 GLY A 1 3.938 -0.145 -17.095 1.00 0.00 H new ATOM 0 HA2 GLY A 1 3.419 1.813 -14.929 1.00 0.00 H new ATOM 0 HA3 GLY A 1 3.639 2.202 -16.624 1.00 0.00 H new ATOM 10 N SER A 2 1.251 1.910 -17.182 1.00 0.00 N ATOM 11 CA SER A 2 -0.167 1.808 -17.545 1.00 0.00 C ATOM 12 C SER A 2 -1.066 2.321 -16.415 1.00 0.00 C ATOM 13 O SER A 2 -2.265 2.027 -16.379 1.00 0.00 O ATOM 14 CB SER A 2 -0.532 0.359 -17.894 1.00 0.00 C ATOM 15 OG SER A 2 0.360 -0.178 -18.867 1.00 0.00 O ATOM 0 H SER A 2 1.778 2.564 -17.761 1.00 0.00 H new ATOM 0 HA SER A 2 -0.331 2.434 -18.422 1.00 0.00 H new ATOM 0 HB2 SER A 2 -0.502 -0.253 -16.993 1.00 0.00 H new ATOM 0 HB3 SER A 2 -1.553 0.320 -18.273 1.00 0.00 H new ATOM 0 HG SER A 2 0.105 -1.102 -19.069 1.00 0.00 H new ATOM 21 N ALA A 3 -0.492 3.102 -15.509 1.00 0.00 N ATOM 22 CA ALA A 3 -1.239 3.620 -14.383 1.00 0.00 C ATOM 23 C ALA A 3 -0.612 4.892 -13.827 1.00 0.00 C ATOM 24 O ALA A 3 0.540 5.221 -14.127 1.00 0.00 O ATOM 25 CB ALA A 3 -1.338 2.565 -13.289 1.00 0.00 C ATOM 0 H ALA A 3 0.487 3.387 -15.536 1.00 0.00 H new ATOM 0 HA ALA A 3 -2.239 3.870 -14.737 1.00 0.00 H new ATOM 0 HB1 ALA A 3 -1.902 2.966 -12.447 1.00 0.00 H new ATOM 0 HB2 ALA A 3 -1.846 1.683 -13.679 1.00 0.00 H new ATOM 0 HB3 ALA A 3 -0.337 2.290 -12.957 1.00 0.00 H new ATOM 31 N LEU A 4 -1.387 5.599 -13.026 1.00 0.00 N ATOM 32 CA LEU A 4 -0.920 6.816 -12.365 1.00 0.00 C ATOM 33 C LEU A 4 0.019 6.467 -11.218 1.00 0.00 C ATOM 34 O LEU A 4 0.838 7.286 -10.796 1.00 0.00 O ATOM 35 CB LEU A 4 -2.099 7.639 -11.824 1.00 0.00 C ATOM 36 CG LEU A 4 -2.806 7.081 -10.573 1.00 0.00 C ATOM 37 CD1 LEU A 4 -3.703 8.139 -9.958 1.00 0.00 C ATOM 38 CD2 LEU A 4 -3.624 5.842 -10.910 1.00 0.00 C ATOM 0 H LEU A 4 -2.353 5.353 -12.812 1.00 0.00 H new ATOM 0 HA LEU A 4 -0.387 7.412 -13.105 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -1.739 8.642 -11.594 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -2.839 7.740 -12.618 1.00 0.00 H new ATOM 0 HG LEU A 4 -2.038 6.799 -9.853 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -4.195 7.730 -9.076 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -3.103 9.003 -9.671 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -4.456 8.445 -10.685 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -4.111 5.471 -10.008 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -4.381 6.096 -11.652 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -2.967 5.070 -11.311 1.00 0.00 H new ATOM 50 N ASP A 5 -0.091 5.250 -10.735 1.00 0.00 N ATOM 51 CA ASP A 5 0.753 4.785 -9.662 1.00 0.00 C ATOM 52 C ASP A 5 1.143 3.347 -9.906 1.00 0.00 C ATOM 53 O ASP A 5 0.421 2.605 -10.567 1.00 0.00 O ATOM 54 CB ASP A 5 0.047 4.909 -8.297 1.00 0.00 C ATOM 55 CG ASP A 5 -1.050 3.873 -8.076 1.00 0.00 C ATOM 56 OD1 ASP A 5 -0.742 2.760 -7.594 1.00 0.00 O ATOM 57 OD2 ASP A 5 -2.225 4.174 -8.349 1.00 0.00 O ATOM 0 H ASP A 5 -0.763 4.561 -11.073 1.00 0.00 H new ATOM 0 HA ASP A 5 1.646 5.410 -9.639 1.00 0.00 H new ATOM 0 HB2 ASP A 5 0.789 4.814 -7.504 1.00 0.00 H new ATOM 0 HB3 ASP A 5 -0.385 5.906 -8.211 1.00 0.00 H new ATOM 62 N PHE A 6 2.297 2.970 -9.404 1.00 0.00 N ATOM 63 CA PHE A 6 2.771 1.601 -9.517 1.00 0.00 C ATOM 64 C PHE A 6 2.783 0.941 -8.142 1.00 0.00 C ATOM 65 O PHE A 6 2.885 -0.278 -8.016 1.00 0.00 O ATOM 66 CB PHE A 6 4.178 1.567 -10.143 1.00 0.00 C ATOM 67 CG PHE A 6 5.224 2.331 -9.364 1.00 0.00 C ATOM 68 CD1 PHE A 6 5.409 3.690 -9.570 1.00 0.00 C ATOM 69 CD2 PHE A 6 6.022 1.685 -8.431 1.00 0.00 C ATOM 70 CE1 PHE A 6 6.368 4.389 -8.860 1.00 0.00 C ATOM 71 CE2 PHE A 6 6.981 2.380 -7.720 1.00 0.00 C ATOM 72 CZ PHE A 6 7.154 3.732 -7.934 1.00 0.00 C ATOM 0 H PHE A 6 2.933 3.595 -8.909 1.00 0.00 H new ATOM 0 HA PHE A 6 2.095 1.047 -10.168 1.00 0.00 H new ATOM 0 HB2 PHE A 6 4.497 0.529 -10.235 1.00 0.00 H new ATOM 0 HB3 PHE A 6 4.124 1.975 -11.152 1.00 0.00 H new ATOM 0 HD1 PHE A 6 4.797 4.208 -10.293 1.00 0.00 H new ATOM 0 HD2 PHE A 6 5.892 0.627 -8.259 1.00 0.00 H new ATOM 0 HE1 PHE A 6 6.502 5.447 -9.029 1.00 0.00 H new ATOM 0 HE2 PHE A 6 7.595 1.865 -6.996 1.00 0.00 H new ATOM 0 HZ PHE A 6 7.903 4.276 -7.378 1.00 0.00 H new ATOM 82 N THR A 7 2.681 1.766 -7.120 1.00 0.00 N ATOM 83 CA THR A 7 2.711 1.309 -5.753 1.00 0.00 C ATOM 84 C THR A 7 1.445 1.718 -5.004 1.00 0.00 C ATOM 85 O THR A 7 1.022 2.880 -5.049 1.00 0.00 O ATOM 86 CB THR A 7 3.967 1.853 -5.026 1.00 0.00 C ATOM 87 OG1 THR A 7 3.815 1.772 -3.598 1.00 0.00 O ATOM 88 CG2 THR A 7 4.246 3.292 -5.433 1.00 0.00 C ATOM 0 H THR A 7 2.575 2.776 -7.219 1.00 0.00 H new ATOM 0 HA THR A 7 2.757 0.220 -5.766 1.00 0.00 H new ATOM 0 HB THR A 7 4.812 1.232 -5.322 1.00 0.00 H new ATOM 0 HG1 THR A 7 4.144 2.599 -3.187 1.00 0.00 H new ATOM 0 HG21 THR A 7 5.132 3.653 -4.910 1.00 0.00 H new ATOM 0 HG22 THR A 7 4.415 3.340 -6.509 1.00 0.00 H new ATOM 0 HG23 THR A 7 3.391 3.916 -5.172 1.00 0.00 H new ATOM 96 N SER A 8 0.853 0.754 -4.314 1.00 0.00 N ATOM 97 CA SER A 8 -0.371 0.952 -3.548 1.00 0.00 C ATOM 98 C SER A 8 -0.230 2.054 -2.484 1.00 0.00 C ATOM 99 O SER A 8 -1.222 2.582 -2.004 1.00 0.00 O ATOM 100 CB SER A 8 -0.762 -0.363 -2.881 1.00 0.00 C ATOM 101 OG SER A 8 -0.634 -1.441 -3.794 1.00 0.00 O ATOM 0 H SER A 8 1.213 -0.199 -4.269 1.00 0.00 H new ATOM 0 HA SER A 8 -1.147 1.276 -4.242 1.00 0.00 H new ATOM 0 HB2 SER A 8 -0.129 -0.539 -2.011 1.00 0.00 H new ATOM 0 HB3 SER A 8 -1.789 -0.304 -2.521 1.00 0.00 H new ATOM 0 HG SER A 8 -0.887 -2.277 -3.350 1.00 0.00 H new ATOM 107 N CYS A 9 0.995 2.404 -2.130 1.00 0.00 N ATOM 108 CA CYS A 9 1.208 3.411 -1.100 1.00 0.00 C ATOM 109 C CYS A 9 1.513 4.785 -1.671 1.00 0.00 C ATOM 110 O CYS A 9 1.872 5.690 -0.936 1.00 0.00 O ATOM 111 CB CYS A 9 2.297 2.980 -0.134 1.00 0.00 C ATOM 112 SG CYS A 9 1.772 1.677 1.014 1.00 0.00 S ATOM 0 H CYS A 9 1.847 2.014 -2.533 1.00 0.00 H new ATOM 0 HA CYS A 9 0.268 3.497 -0.555 1.00 0.00 H new ATOM 0 HB2 CYS A 9 3.157 2.627 -0.703 1.00 0.00 H new ATOM 0 HB3 CYS A 9 2.627 3.847 0.439 1.00 0.00 H new ATOM 117 N ALA A 10 1.358 4.942 -2.975 1.00 0.00 N ATOM 118 CA ALA A 10 1.590 6.239 -3.621 1.00 0.00 C ATOM 119 C ALA A 10 0.680 7.324 -3.035 1.00 0.00 C ATOM 120 O ALA A 10 1.089 8.473 -2.863 1.00 0.00 O ATOM 121 CB ALA A 10 1.384 6.128 -5.122 1.00 0.00 C ATOM 0 H ALA A 10 1.074 4.197 -3.611 1.00 0.00 H new ATOM 0 HA ALA A 10 2.623 6.529 -3.428 1.00 0.00 H new ATOM 0 HB1 ALA A 10 1.560 7.098 -5.586 1.00 0.00 H new ATOM 0 HB2 ALA A 10 2.082 5.398 -5.532 1.00 0.00 H new ATOM 0 HB3 ALA A 10 0.362 5.808 -5.326 1.00 0.00 H new ATOM 127 N ARG A 11 -0.532 6.937 -2.667 1.00 0.00 N ATOM 128 CA ARG A 11 -1.497 7.882 -2.122 1.00 0.00 C ATOM 129 C ARG A 11 -1.057 8.449 -0.774 1.00 0.00 C ATOM 130 O ARG A 11 -1.660 9.382 -0.276 1.00 0.00 O ATOM 131 CB ARG A 11 -2.953 7.335 -2.068 1.00 0.00 C ATOM 132 CG ARG A 11 -3.137 5.903 -1.570 1.00 0.00 C ATOM 133 CD ARG A 11 -2.916 4.869 -2.674 1.00 0.00 C ATOM 134 NE ARG A 11 -3.525 5.261 -3.947 1.00 0.00 N ATOM 135 CZ ARG A 11 -3.178 4.747 -5.134 1.00 0.00 C ATOM 136 NH1 ARG A 11 -2.294 3.755 -5.198 1.00 0.00 N ATOM 137 NH2 ARG A 11 -3.734 5.207 -6.250 1.00 0.00 N ATOM 0 H ARG A 11 -0.871 5.977 -2.735 1.00 0.00 H new ATOM 0 HA ARG A 11 -1.517 8.707 -2.834 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -3.539 7.994 -1.428 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -3.378 7.403 -3.070 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -2.441 5.713 -0.753 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -4.142 5.789 -1.165 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -1.846 4.721 -2.818 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -3.330 3.912 -2.358 1.00 0.00 H new ATOM 0 HE ARG A 11 -4.259 5.969 -3.928 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -1.880 3.385 -4.342 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -2.030 3.364 -6.103 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -4.427 5.954 -6.204 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -3.467 4.813 -7.152 1.00 0.00 H new ATOM 151 N MET A 12 0.006 7.879 -0.188 1.00 0.00 N ATOM 152 CA MET A 12 0.534 8.370 1.093 1.00 0.00 C ATOM 153 C MET A 12 0.851 9.865 1.034 1.00 0.00 C ATOM 154 O MET A 12 0.907 10.526 2.065 1.00 0.00 O ATOM 155 CB MET A 12 1.814 7.633 1.498 1.00 0.00 C ATOM 156 CG MET A 12 3.029 8.050 0.678 1.00 0.00 C ATOM 157 SD MET A 12 4.595 7.797 1.535 1.00 0.00 S ATOM 158 CE MET A 12 4.639 6.022 1.667 1.00 0.00 C ATOM 0 H MET A 12 0.513 7.084 -0.577 1.00 0.00 H new ATOM 0 HA MET A 12 -0.247 8.185 1.830 1.00 0.00 H new ATOM 0 HB2 MET A 12 2.014 7.818 2.553 1.00 0.00 H new ATOM 0 HB3 MET A 12 1.659 6.560 1.387 1.00 0.00 H new ATOM 0 HG2 MET A 12 3.039 7.486 -0.255 1.00 0.00 H new ATOM 0 HG3 MET A 12 2.935 9.103 0.413 1.00 0.00 H new ATOM 0 HE1 MET A 12 5.646 5.666 1.448 1.00 0.00 H new ATOM 0 HE2 MET A 12 4.361 5.725 2.678 1.00 0.00 H new ATOM 0 HE3 MET A 12 3.937 5.587 0.955 1.00 0.00 H new ATOM 168 N ASN A 13 1.050 10.407 -0.173 1.00 0.00 N ATOM 169 CA ASN A 13 1.406 11.815 -0.295 1.00 0.00 C ATOM 170 C ASN A 13 0.238 12.616 -0.847 1.00 0.00 C ATOM 171 O ASN A 13 0.412 13.725 -1.354 1.00 0.00 O ATOM 172 CB ASN A 13 2.671 12.023 -1.155 1.00 0.00 C ATOM 173 CG ASN A 13 2.532 11.542 -2.585 1.00 0.00 C ATOM 174 OD1 ASN A 13 2.001 12.246 -3.442 1.00 0.00 O ATOM 175 ND2 ASN A 13 3.052 10.368 -2.861 1.00 0.00 N ATOM 0 H ASN A 13 0.972 9.902 -1.056 1.00 0.00 H new ATOM 0 HA ASN A 13 1.637 12.179 0.706 1.00 0.00 H new ATOM 0 HB2 ASN A 13 2.922 13.084 -1.162 1.00 0.00 H new ATOM 0 HB3 ASN A 13 3.506 11.501 -0.687 1.00 0.00 H new ATOM 0 HD21 ASN A 13 3.024 10.010 -3.816 1.00 0.00 H new ATOM 0 HD22 ASN A 13 3.484 9.815 -2.121 1.00 0.00 H new ATOM 182 N ASP A 14 -0.959 12.069 -0.689 1.00 0.00 N ATOM 183 CA ASP A 14 -2.182 12.708 -1.170 1.00 0.00 C ATOM 184 C ASP A 14 -2.878 13.367 0.016 1.00 0.00 C ATOM 185 O ASP A 14 -4.097 13.553 0.035 1.00 0.00 O ATOM 186 CB ASP A 14 -3.110 11.651 -1.804 1.00 0.00 C ATOM 187 CG ASP A 14 -4.273 12.257 -2.565 1.00 0.00 C ATOM 188 OD1 ASP A 14 -4.036 13.084 -3.473 1.00 0.00 O ATOM 189 OD2 ASP A 14 -5.429 11.889 -2.279 1.00 0.00 O ATOM 0 H ASP A 14 -1.113 11.173 -0.226 1.00 0.00 H new ATOM 0 HA ASP A 14 -1.942 13.457 -1.925 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -2.528 11.025 -2.481 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -3.497 11.000 -1.020 1.00 0.00 H new ATOM 194 N GLY A 15 -2.085 13.729 1.007 1.00 0.00 N ATOM 195 CA GLY A 15 -2.617 14.303 2.210 1.00 0.00 C ATOM 196 C GLY A 15 -2.836 13.249 3.267 1.00 0.00 C ATOM 197 O GLY A 15 -2.545 12.069 3.038 1.00 0.00 O ATOM 0 H GLY A 15 -1.070 13.632 0.994 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -1.933 15.063 2.587 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -3.560 14.804 1.991 1.00 0.00 H new ATOM 201 N ALA A 16 -3.329 13.662 4.423 1.00 0.00 N ATOM 202 CA ALA A 16 -3.607 12.735 5.514 1.00 0.00 C ATOM 203 C ALA A 16 -4.590 11.645 5.085 1.00 0.00 C ATOM 204 O ALA A 16 -4.454 10.489 5.479 1.00 0.00 O ATOM 205 CB ALA A 16 -4.133 13.486 6.727 1.00 0.00 C ATOM 0 H ALA A 16 -3.546 14.636 4.633 1.00 0.00 H new ATOM 0 HA ALA A 16 -2.671 12.246 5.785 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -4.336 12.780 7.532 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -3.388 14.210 7.058 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -5.053 14.007 6.462 1.00 0.00 H new ATOM 211 N LEU A 17 -5.569 12.017 4.258 1.00 0.00 N ATOM 212 CA LEU A 17 -6.553 11.056 3.762 1.00 0.00 C ATOM 213 C LEU A 17 -5.838 9.977 2.956 1.00 0.00 C ATOM 214 O LEU A 17 -6.080 8.781 3.138 1.00 0.00 O ATOM 215 CB LEU A 17 -7.599 11.769 2.882 1.00 0.00 C ATOM 216 CG LEU A 17 -8.998 11.120 2.796 1.00 0.00 C ATOM 217 CD1 LEU A 17 -8.953 9.773 2.094 1.00 0.00 C ATOM 218 CD2 LEU A 17 -9.605 10.976 4.180 1.00 0.00 C ATOM 0 H LEU A 17 -5.700 12.970 3.920 1.00 0.00 H new ATOM 0 HA LEU A 17 -7.068 10.598 4.607 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -7.719 12.786 3.255 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -7.197 11.845 1.872 1.00 0.00 H new ATOM 0 HG LEU A 17 -9.629 11.781 2.201 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -9.957 9.350 2.054 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -8.574 9.903 1.080 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -8.296 9.098 2.643 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -10.590 10.517 4.099 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -8.961 10.348 4.796 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -9.700 11.960 4.640 1.00 0.00 H new ATOM 230 N GLY A 18 -4.934 10.419 2.088 1.00 0.00 N ATOM 231 CA GLY A 18 -4.172 9.511 1.264 1.00 0.00 C ATOM 232 C GLY A 18 -3.370 8.532 2.086 1.00 0.00 C ATOM 233 O GLY A 18 -3.283 7.355 1.742 1.00 0.00 O ATOM 0 H GLY A 18 -4.717 11.405 1.943 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -4.849 8.963 0.608 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -3.500 10.082 0.623 1.00 0.00 H new ATOM 237 N ALA A 19 -2.768 9.026 3.167 1.00 0.00 N ATOM 238 CA ALA A 19 -1.990 8.190 4.074 1.00 0.00 C ATOM 239 C ALA A 19 -2.829 7.039 4.609 1.00 0.00 C ATOM 240 O ALA A 19 -2.352 5.906 4.715 1.00 0.00 O ATOM 241 CB ALA A 19 -1.434 9.023 5.219 1.00 0.00 C ATOM 0 H ALA A 19 -2.806 10.009 3.436 1.00 0.00 H new ATOM 0 HA ALA A 19 -1.156 7.767 3.514 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -0.856 8.384 5.887 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -0.790 9.807 4.820 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -2.257 9.476 5.772 1.00 0.00 H new ATOM 247 N LYS A 20 -4.088 7.327 4.920 1.00 0.00 N ATOM 248 CA LYS A 20 -4.991 6.308 5.422 1.00 0.00 C ATOM 249 C LYS A 20 -5.331 5.307 4.331 1.00 0.00 C ATOM 250 O LYS A 20 -5.366 4.099 4.580 1.00 0.00 O ATOM 251 CB LYS A 20 -6.273 6.925 5.998 1.00 0.00 C ATOM 252 CG LYS A 20 -6.324 6.930 7.525 1.00 0.00 C ATOM 253 CD LYS A 20 -5.292 7.874 8.128 1.00 0.00 C ATOM 254 CE LYS A 20 -5.719 9.325 7.993 1.00 0.00 C ATOM 255 NZ LYS A 20 -6.912 9.637 8.822 1.00 0.00 N ATOM 0 H LYS A 20 -4.502 8.255 4.832 1.00 0.00 H new ATOM 0 HA LYS A 20 -4.479 5.786 6.230 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -6.366 7.949 5.638 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -7.133 6.374 5.617 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -7.321 7.225 7.853 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -6.152 5.920 7.897 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -5.148 7.633 9.181 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -4.332 7.729 7.633 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -4.894 9.974 8.287 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -5.938 9.542 6.948 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -6.979 10.666 8.960 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -7.768 9.296 8.340 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -6.825 9.168 9.746 1.00 0.00 H new ATOM 269 N VAL A 21 -5.582 5.805 3.123 1.00 0.00 N ATOM 270 CA VAL A 21 -5.877 4.935 1.990 1.00 0.00 C ATOM 271 C VAL A 21 -4.689 4.019 1.707 1.00 0.00 C ATOM 272 O VAL A 21 -4.843 2.807 1.514 1.00 0.00 O ATOM 273 CB VAL A 21 -6.200 5.753 0.710 1.00 0.00 C ATOM 274 CG1 VAL A 21 -6.562 4.821 -0.437 1.00 0.00 C ATOM 275 CG2 VAL A 21 -7.329 6.740 0.969 1.00 0.00 C ATOM 0 H VAL A 21 -5.587 6.801 2.905 1.00 0.00 H new ATOM 0 HA VAL A 21 -6.753 4.342 2.254 1.00 0.00 H new ATOM 0 HB VAL A 21 -5.310 6.319 0.433 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -6.786 5.409 -1.327 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -5.724 4.155 -0.643 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -7.436 4.230 -0.164 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -7.538 7.301 0.058 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -8.224 6.197 1.274 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -7.035 7.429 1.761 1.00 0.00 H new ATOM 285 N ALA A 22 -3.510 4.615 1.696 1.00 0.00 N ATOM 286 CA ALA A 22 -2.274 3.901 1.450 1.00 0.00 C ATOM 287 C ALA A 22 -2.055 2.786 2.470 1.00 0.00 C ATOM 288 O ALA A 22 -1.873 1.626 2.098 1.00 0.00 O ATOM 289 CB ALA A 22 -1.102 4.872 1.471 1.00 0.00 C ATOM 0 H ALA A 22 -3.385 5.614 1.859 1.00 0.00 H new ATOM 0 HA ALA A 22 -2.343 3.438 0.466 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -0.176 4.328 1.285 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -1.241 5.627 0.697 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -1.049 5.357 2.446 1.00 0.00 H new ATOM 295 N GLN A 23 -2.087 3.141 3.753 1.00 0.00 N ATOM 296 CA GLN A 23 -1.832 2.173 4.815 1.00 0.00 C ATOM 297 C GLN A 23 -2.851 1.034 4.785 1.00 0.00 C ATOM 298 O GLN A 23 -2.496 -0.123 4.986 1.00 0.00 O ATOM 299 CB GLN A 23 -1.816 2.852 6.192 1.00 0.00 C ATOM 300 CG GLN A 23 -3.187 3.157 6.755 1.00 0.00 C ATOM 301 CD GLN A 23 -3.128 3.961 8.030 1.00 0.00 C ATOM 302 OE1 GLN A 23 -3.116 5.187 8.002 1.00 0.00 O ATOM 303 NE2 GLN A 23 -3.099 3.279 9.156 1.00 0.00 N ATOM 0 H GLN A 23 -2.286 4.086 4.080 1.00 0.00 H new ATOM 0 HA GLN A 23 -0.845 1.745 4.637 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -1.283 2.210 6.894 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -1.252 3.782 6.119 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -3.767 3.704 6.012 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -3.714 2.222 6.944 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -3.110 2.259 9.135 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -3.065 3.770 10.049 1.00 0.00 H new ATOM 312 N ALA A 24 -4.109 1.368 4.505 1.00 0.00 N ATOM 313 CA ALA A 24 -5.175 0.373 4.456 1.00 0.00 C ATOM 314 C ALA A 24 -4.904 -0.638 3.363 1.00 0.00 C ATOM 315 O ALA A 24 -4.982 -1.859 3.586 1.00 0.00 O ATOM 316 CB ALA A 24 -6.518 1.053 4.217 1.00 0.00 C ATOM 0 H ALA A 24 -4.414 2.321 4.309 1.00 0.00 H new ATOM 0 HA ALA A 24 -5.207 -0.148 5.413 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -7.306 0.300 4.182 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -6.721 1.753 5.027 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -6.489 1.592 3.270 1.00 0.00 H new ATOM 322 N ALA A 25 -4.571 -0.130 2.189 1.00 0.00 N ATOM 323 CA ALA A 25 -4.275 -0.964 1.049 1.00 0.00 C ATOM 324 C ALA A 25 -3.037 -1.810 1.304 1.00 0.00 C ATOM 325 O ALA A 25 -2.977 -2.969 0.904 1.00 0.00 O ATOM 326 CB ALA A 25 -4.091 -0.111 -0.200 1.00 0.00 C ATOM 0 H ALA A 25 -4.500 0.871 2.005 1.00 0.00 H new ATOM 0 HA ALA A 25 -5.118 -1.636 0.890 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -3.868 -0.755 -1.051 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -5.006 0.447 -0.397 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -3.267 0.586 -0.047 1.00 0.00 H new ATOM 332 N CYS A 26 -2.070 -1.243 2.016 1.00 0.00 N ATOM 333 CA CYS A 26 -0.808 -1.918 2.267 1.00 0.00 C ATOM 334 C CYS A 26 -0.976 -3.040 3.289 1.00 0.00 C ATOM 335 O CYS A 26 -0.659 -4.193 3.004 1.00 0.00 O ATOM 336 CB CYS A 26 0.244 -0.913 2.745 1.00 0.00 C ATOM 337 SG CYS A 26 1.950 -1.550 2.726 1.00 0.00 S ATOM 0 H CYS A 26 -2.139 -0.313 2.430 1.00 0.00 H new ATOM 0 HA CYS A 26 -0.471 -2.364 1.332 1.00 0.00 H new ATOM 0 HB2 CYS A 26 0.193 -0.024 2.116 1.00 0.00 H new ATOM 0 HB3 CYS A 26 -0.004 -0.600 3.759 1.00 0.00 H new ATOM 342 N ILE A 27 -1.522 -2.706 4.463 1.00 0.00 N ATOM 343 CA ILE A 27 -1.718 -3.685 5.536 1.00 0.00 C ATOM 344 C ILE A 27 -2.491 -4.894 5.030 1.00 0.00 C ATOM 345 O ILE A 27 -2.055 -6.037 5.197 1.00 0.00 O ATOM 346 CB ILE A 27 -2.496 -3.069 6.731 1.00 0.00 C ATOM 347 CG1 ILE A 27 -1.718 -1.902 7.345 1.00 0.00 C ATOM 348 CG2 ILE A 27 -2.790 -4.133 7.789 1.00 0.00 C ATOM 349 CD1 ILE A 27 -2.523 -1.073 8.326 1.00 0.00 C ATOM 0 H ILE A 27 -1.836 -1.764 4.694 1.00 0.00 H new ATOM 0 HA ILE A 27 -0.727 -3.991 5.871 1.00 0.00 H new ATOM 0 HB ILE A 27 -3.445 -2.685 6.355 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -0.837 -2.294 7.853 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -1.362 -1.254 6.544 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -3.335 -3.681 8.618 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -3.392 -4.928 7.348 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -1.852 -4.550 8.156 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -1.902 -0.267 8.717 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -3.390 -0.650 7.819 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -2.857 -1.705 9.149 1.00 0.00 H new ATOM 361 N SER A 28 -3.620 -4.635 4.388 1.00 0.00 N ATOM 362 CA SER A 28 -4.467 -5.696 3.881 1.00 0.00 C ATOM 363 C SER A 28 -3.723 -6.574 2.865 1.00 0.00 C ATOM 364 O SER A 28 -3.775 -7.805 2.942 1.00 0.00 O ATOM 365 CB SER A 28 -5.722 -5.104 3.264 1.00 0.00 C ATOM 366 OG SER A 28 -6.342 -4.187 4.160 1.00 0.00 O ATOM 0 H SER A 28 -3.969 -3.694 4.207 1.00 0.00 H new ATOM 0 HA SER A 28 -4.749 -6.336 4.717 1.00 0.00 H new ATOM 0 HB2 SER A 28 -5.470 -4.596 2.333 1.00 0.00 H new ATOM 0 HB3 SER A 28 -6.420 -5.902 3.013 1.00 0.00 H new ATOM 0 HG SER A 28 -5.905 -3.313 4.088 1.00 0.00 H new ATOM 372 N SER A 29 -3.010 -5.937 1.939 1.00 0.00 N ATOM 373 CA SER A 29 -2.264 -6.664 0.919 1.00 0.00 C ATOM 374 C SER A 29 -1.157 -7.510 1.550 1.00 0.00 C ATOM 375 O SER A 29 -0.853 -8.609 1.080 1.00 0.00 O ATOM 376 CB SER A 29 -1.680 -5.697 -0.112 1.00 0.00 C ATOM 377 OG SER A 29 -2.710 -4.959 -0.754 1.00 0.00 O ATOM 0 H SER A 29 -2.934 -4.922 1.875 1.00 0.00 H new ATOM 0 HA SER A 29 -2.955 -7.336 0.410 1.00 0.00 H new ATOM 0 HB2 SER A 29 -0.987 -5.012 0.377 1.00 0.00 H new ATOM 0 HB3 SER A 29 -1.108 -6.253 -0.855 1.00 0.00 H new ATOM 0 HG SER A 29 -2.920 -4.161 -0.225 1.00 0.00 H new ATOM 383 N CYS A 30 -0.568 -6.999 2.620 1.00 0.00 N ATOM 384 CA CYS A 30 0.483 -7.697 3.312 1.00 0.00 C ATOM 385 C CYS A 30 -0.057 -8.941 3.997 1.00 0.00 C ATOM 386 O CYS A 30 0.504 -10.024 3.866 1.00 0.00 O ATOM 387 CB CYS A 30 1.162 -6.766 4.307 1.00 0.00 C ATOM 388 SG CYS A 30 2.051 -5.387 3.516 1.00 0.00 S ATOM 0 H CYS A 30 -0.809 -6.094 3.024 1.00 0.00 H new ATOM 0 HA CYS A 30 1.228 -8.021 2.586 1.00 0.00 H new ATOM 0 HB2 CYS A 30 0.411 -6.363 4.987 1.00 0.00 H new ATOM 0 HB3 CYS A 30 1.863 -7.341 4.912 1.00 0.00 H new ATOM 393 N LYS A 31 -1.159 -8.788 4.715 1.00 0.00 N ATOM 394 CA LYS A 31 -1.788 -9.905 5.404 1.00 0.00 C ATOM 395 C LYS A 31 -2.160 -10.982 4.407 1.00 0.00 C ATOM 396 O LYS A 31 -2.046 -12.182 4.685 1.00 0.00 O ATOM 397 CB LYS A 31 -3.032 -9.410 6.141 1.00 0.00 C ATOM 398 CG LYS A 31 -2.727 -8.371 7.212 1.00 0.00 C ATOM 399 CD LYS A 31 -3.917 -7.459 7.475 1.00 0.00 C ATOM 400 CE LYS A 31 -5.113 -8.208 8.033 1.00 0.00 C ATOM 401 NZ LYS A 31 -4.819 -8.856 9.339 1.00 0.00 N ATOM 0 H LYS A 31 -1.639 -7.896 4.836 1.00 0.00 H new ATOM 0 HA LYS A 31 -1.090 -10.328 6.127 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -3.727 -8.983 5.418 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -3.534 -10.260 6.603 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -2.445 -8.875 8.136 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -1.871 -7.771 6.902 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -3.623 -6.677 8.175 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -4.203 -6.964 6.547 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -5.947 -7.517 8.153 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -5.429 -8.967 7.317 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -5.705 -9.193 9.767 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -4.178 -9.661 9.190 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -4.368 -8.167 9.975 1.00 0.00 H new ATOM 415 N PHE A 32 -2.594 -10.540 3.245 1.00 0.00 N ATOM 416 CA PHE A 32 -2.969 -11.416 2.159 1.00 0.00 C ATOM 417 C PHE A 32 -1.810 -12.326 1.734 1.00 0.00 C ATOM 418 O PHE A 32 -2.013 -13.503 1.450 1.00 0.00 O ATOM 419 CB PHE A 32 -3.410 -10.572 0.974 1.00 0.00 C ATOM 420 CG PHE A 32 -4.364 -11.268 0.077 1.00 0.00 C ATOM 421 CD1 PHE A 32 -5.701 -11.292 0.389 1.00 0.00 C ATOM 422 CD2 PHE A 32 -3.927 -11.897 -1.072 1.00 0.00 C ATOM 423 CE1 PHE A 32 -6.604 -11.937 -0.430 1.00 0.00 C ATOM 424 CE2 PHE A 32 -4.819 -12.546 -1.901 1.00 0.00 C ATOM 425 CZ PHE A 32 -6.163 -12.567 -1.578 1.00 0.00 C ATOM 0 H PHE A 32 -2.697 -9.549 3.027 1.00 0.00 H new ATOM 0 HA PHE A 32 -3.784 -12.054 2.502 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -3.871 -9.656 1.342 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -2.531 -10.278 0.400 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -6.049 -10.800 1.285 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -2.877 -11.881 -1.324 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -7.653 -11.950 -0.175 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -4.469 -13.035 -2.798 1.00 0.00 H new ATOM 0 HZ PHE A 32 -6.867 -13.075 -2.221 1.00 0.00 H new ATOM 435 N GLN A 33 -0.600 -11.784 1.731 1.00 0.00 N ATOM 436 CA GLN A 33 0.574 -12.522 1.270 1.00 0.00 C ATOM 437 C GLN A 33 1.329 -13.169 2.427 1.00 0.00 C ATOM 438 O GLN A 33 2.525 -13.451 2.318 1.00 0.00 O ATOM 439 CB GLN A 33 1.501 -11.601 0.468 1.00 0.00 C ATOM 440 CG GLN A 33 1.933 -10.354 1.214 1.00 0.00 C ATOM 441 CD GLN A 33 2.795 -9.441 0.374 1.00 0.00 C ATOM 442 OE1 GLN A 33 4.019 -9.559 0.360 1.00 0.00 O ATOM 443 NE2 GLN A 33 2.167 -8.529 -0.331 1.00 0.00 N ATOM 0 H GLN A 33 -0.403 -10.833 2.043 1.00 0.00 H new ATOM 0 HA GLN A 33 0.225 -13.325 0.621 1.00 0.00 H new ATOM 0 HB2 GLN A 33 2.389 -12.162 0.176 1.00 0.00 H new ATOM 0 HB3 GLN A 33 0.995 -11.305 -0.451 1.00 0.00 H new ATOM 0 HG2 GLN A 33 1.049 -9.809 1.545 1.00 0.00 H new ATOM 0 HG3 GLN A 33 2.483 -10.644 2.110 1.00 0.00 H new ATOM 0 HE21 GLN A 33 1.150 -8.465 -0.291 1.00 0.00 H new ATOM 0 HE22 GLN A 33 2.696 -7.885 -0.919 1.00 0.00 H new ATOM 452 N ASN A 34 0.615 -13.396 3.530 1.00 0.00 N ATOM 453 CA ASN A 34 1.163 -14.071 4.718 1.00 0.00 C ATOM 454 C ASN A 34 2.178 -13.182 5.425 1.00 0.00 C ATOM 455 O ASN A 34 3.207 -13.646 5.910 1.00 0.00 O ATOM 456 CB ASN A 34 1.798 -15.438 4.351 1.00 0.00 C ATOM 457 CG ASN A 34 1.899 -16.391 5.543 1.00 0.00 C ATOM 458 OD1 ASN A 34 0.961 -17.142 5.841 1.00 0.00 O ATOM 459 ND2 ASN A 34 3.029 -16.378 6.219 1.00 0.00 N ATOM 0 H ASN A 34 -0.361 -13.119 3.630 1.00 0.00 H new ATOM 0 HA ASN A 34 0.334 -14.261 5.400 1.00 0.00 H new ATOM 0 HB2 ASN A 34 1.205 -15.908 3.566 1.00 0.00 H new ATOM 0 HB3 ASN A 34 2.794 -15.271 3.941 1.00 0.00 H new ATOM 0 HD21 ASN A 34 3.153 -17.001 7.017 1.00 0.00 H new ATOM 0 HD22 ASN A 34 3.780 -15.745 5.944 1.00 0.00 H new ATOM 466 N CYS A 35 1.888 -11.899 5.473 1.00 0.00 N ATOM 467 CA CYS A 35 2.721 -10.975 6.195 1.00 0.00 C ATOM 468 C CYS A 35 1.984 -10.504 7.423 1.00 0.00 C ATOM 469 O CYS A 35 0.788 -10.205 7.358 1.00 0.00 O ATOM 470 CB CYS A 35 3.109 -9.788 5.326 1.00 0.00 C ATOM 471 SG CYS A 35 4.266 -10.188 3.982 1.00 0.00 S ATOM 0 H CYS A 35 1.079 -11.476 5.018 1.00 0.00 H new ATOM 0 HA CYS A 35 3.640 -11.484 6.487 1.00 0.00 H new ATOM 0 HB2 CYS A 35 2.205 -9.358 4.895 1.00 0.00 H new ATOM 0 HB3 CYS A 35 3.557 -9.021 5.958 1.00 0.00 H new ATOM 476 N GLY A 36 2.686 -10.463 8.534 1.00 0.00 N ATOM 477 CA GLY A 36 2.086 -10.055 9.793 1.00 0.00 C ATOM 478 C GLY A 36 1.442 -8.685 9.719 1.00 0.00 C ATOM 479 O GLY A 36 0.344 -8.472 10.247 1.00 0.00 O ATOM 0 H GLY A 36 3.675 -10.707 8.595 1.00 0.00 H new ATOM 0 HA2 GLY A 36 1.336 -10.789 10.088 1.00 0.00 H new ATOM 0 HA3 GLY A 36 2.850 -10.051 10.570 1.00 0.00 H new ATOM 483 N THR A 37 2.118 -7.763 9.068 1.00 0.00 N ATOM 484 CA THR A 37 1.591 -6.427 8.913 1.00 0.00 C ATOM 485 C THR A 37 2.224 -5.712 7.725 1.00 0.00 C ATOM 486 O THR A 37 3.122 -6.252 7.060 1.00 0.00 O ATOM 487 CB THR A 37 1.767 -5.593 10.218 1.00 0.00 C ATOM 488 OG1 THR A 37 1.094 -4.331 10.104 1.00 0.00 O ATOM 489 CG2 THR A 37 3.238 -5.360 10.528 1.00 0.00 C ATOM 0 H THR A 37 3.031 -7.914 8.639 1.00 0.00 H new ATOM 0 HA THR A 37 0.523 -6.522 8.716 1.00 0.00 H new ATOM 0 HB THR A 37 1.326 -6.164 11.035 1.00 0.00 H new ATOM 0 HG1 THR A 37 1.213 -3.821 10.932 1.00 0.00 H new ATOM 0 HG21 THR A 37 3.329 -4.776 11.444 1.00 0.00 H new ATOM 0 HG22 THR A 37 3.739 -6.319 10.659 1.00 0.00 H new ATOM 0 HG23 THR A 37 3.702 -4.818 9.704 1.00 0.00 H new ATOM 497 N GLY A 38 1.746 -4.513 7.460 1.00 0.00 N ATOM 498 CA GLY A 38 2.232 -3.746 6.361 1.00 0.00 C ATOM 499 C GLY A 38 2.176 -2.280 6.657 1.00 0.00 C ATOM 500 O GLY A 38 1.303 -1.826 7.390 1.00 0.00 O ATOM 0 H GLY A 38 1.014 -4.056 8.004 1.00 0.00 H new ATOM 0 HA2 GLY A 38 3.259 -4.036 6.138 1.00 0.00 H new ATOM 0 HA3 GLY A 38 1.639 -3.963 5.472 1.00 0.00 H new ATOM 504 N HIS A 39 3.104 -1.539 6.116 1.00 0.00 N ATOM 505 CA HIS A 39 3.116 -0.114 6.304 1.00 0.00 C ATOM 506 C HIS A 39 3.718 0.553 5.100 1.00 0.00 C ATOM 507 O HIS A 39 4.576 -0.014 4.422 1.00 0.00 O ATOM 508 CB HIS A 39 3.872 0.291 7.595 1.00 0.00 C ATOM 509 CG HIS A 39 5.371 0.174 7.526 1.00 0.00 C ATOM 510 ND1 HIS A 39 6.066 -0.929 7.964 1.00 0.00 N ATOM 511 CD2 HIS A 39 6.305 1.048 7.084 1.00 0.00 C ATOM 512 CE1 HIS A 39 7.359 -0.728 7.795 1.00 0.00 C ATOM 513 NE2 HIS A 39 7.530 0.461 7.264 1.00 0.00 N ATOM 0 H HIS A 39 3.864 -1.900 5.540 1.00 0.00 H new ATOM 0 HA HIS A 39 2.085 0.221 6.420 1.00 0.00 H new ATOM 0 HB2 HIS A 39 3.615 1.322 7.838 1.00 0.00 H new ATOM 0 HB3 HIS A 39 3.513 -0.329 8.416 1.00 0.00 H new ATOM 0 HD2 HIS A 39 6.119 2.027 6.667 1.00 0.00 H new ATOM 0 HE1 HIS A 39 8.144 -1.424 8.050 1.00 0.00 H new ATOM 0 HE2 HIS A 39 8.429 0.880 7.024 1.00 0.00 H new ATOM 522 N CYS A 40 3.284 1.737 4.830 1.00 0.00 N ATOM 523 CA CYS A 40 3.798 2.464 3.719 1.00 0.00 C ATOM 524 C CYS A 40 5.070 3.153 4.116 1.00 0.00 C ATOM 525 O CYS A 40 5.106 3.900 5.096 1.00 0.00 O ATOM 526 CB CYS A 40 2.778 3.461 3.224 1.00 0.00 C ATOM 527 SG CYS A 40 1.230 2.696 2.681 1.00 0.00 S ATOM 0 H CYS A 40 2.568 2.226 5.368 1.00 0.00 H new ATOM 0 HA CYS A 40 4.012 1.772 2.904 1.00 0.00 H new ATOM 0 HB2 CYS A 40 2.563 4.175 4.019 1.00 0.00 H new ATOM 0 HB3 CYS A 40 3.205 4.026 2.396 1.00 0.00 H new ATOM 532 N GLU A 41 6.109 2.906 3.370 1.00 0.00 N ATOM 533 CA GLU A 41 7.380 3.466 3.676 1.00 0.00 C ATOM 534 C GLU A 41 7.957 4.118 2.447 1.00 0.00 C ATOM 535 O GLU A 41 7.888 3.568 1.346 1.00 0.00 O ATOM 536 CB GLU A 41 8.313 2.389 4.213 1.00 0.00 C ATOM 537 CG GLU A 41 9.585 2.924 4.827 1.00 0.00 C ATOM 538 CD GLU A 41 10.322 1.878 5.615 1.00 0.00 C ATOM 539 OE1 GLU A 41 9.902 1.587 6.756 1.00 0.00 O ATOM 540 OE2 GLU A 41 11.324 1.341 5.107 1.00 0.00 O ATOM 0 H GLU A 41 6.092 2.314 2.540 1.00 0.00 H new ATOM 0 HA GLU A 41 7.264 4.226 4.448 1.00 0.00 H new ATOM 0 HB2 GLU A 41 7.780 1.802 4.961 1.00 0.00 H new ATOM 0 HB3 GLU A 41 8.572 1.710 3.401 1.00 0.00 H new ATOM 0 HG2 GLU A 41 10.234 3.306 4.039 1.00 0.00 H new ATOM 0 HG3 GLU A 41 9.346 3.765 5.478 1.00 0.00 H new ATOM 547 N ARG A 42 8.507 5.288 2.620 1.00 0.00 N ATOM 548 CA ARG A 42 9.073 6.007 1.520 1.00 0.00 C ATOM 549 C ARG A 42 10.544 5.728 1.421 1.00 0.00 C ATOM 550 O ARG A 42 11.285 5.870 2.393 1.00 0.00 O ATOM 551 CB ARG A 42 8.804 7.497 1.634 1.00 0.00 C ATOM 552 CG ARG A 42 7.837 8.002 0.586 1.00 0.00 C ATOM 553 CD ARG A 42 7.640 9.497 0.678 1.00 0.00 C ATOM 554 NE ARG A 42 8.898 10.229 0.595 1.00 0.00 N ATOM 555 CZ ARG A 42 9.026 11.517 0.930 1.00 0.00 C ATOM 556 NH1 ARG A 42 7.961 12.216 1.318 1.00 0.00 N ATOM 557 NH2 ARG A 42 10.207 12.107 0.861 1.00 0.00 N ATOM 0 H ARG A 42 8.574 5.764 3.520 1.00 0.00 H new ATOM 0 HA ARG A 42 8.593 5.662 0.604 1.00 0.00 H new ATOM 0 HB2 ARG A 42 8.405 7.714 2.625 1.00 0.00 H new ATOM 0 HB3 ARG A 42 9.745 8.039 1.544 1.00 0.00 H new ATOM 0 HG2 ARG A 42 8.209 7.745 -0.406 1.00 0.00 H new ATOM 0 HG3 ARG A 42 6.877 7.501 0.706 1.00 0.00 H new ATOM 0 HD2 ARG A 42 6.979 9.824 -0.125 1.00 0.00 H new ATOM 0 HD3 ARG A 42 7.144 9.738 1.618 1.00 0.00 H new ATOM 0 HE ARG A 42 9.725 9.732 0.264 1.00 0.00 H new ATOM 0 HH11 ARG A 42 7.045 11.769 1.360 1.00 0.00 H new ATOM 0 HH12 ARG A 42 8.061 13.198 1.573 1.00 0.00 H new ATOM 0 HH21 ARG A 42 11.023 11.579 0.552 1.00 0.00 H new ATOM 0 HH22 ARG A 42 10.302 13.090 1.117 1.00 0.00 H new ATOM 571 N ARG A 43 10.959 5.327 0.251 1.00 0.00 N ATOM 572 CA ARG A 43 12.336 4.969 0.009 1.00 0.00 C ATOM 573 C ARG A 43 12.821 5.642 -1.250 1.00 0.00 C ATOM 574 O ARG A 43 12.236 5.463 -2.321 1.00 0.00 O ATOM 575 CB ARG A 43 12.485 3.450 -0.074 1.00 0.00 C ATOM 576 CG ARG A 43 12.019 2.745 1.192 1.00 0.00 C ATOM 577 CD ARG A 43 12.352 1.277 1.183 1.00 0.00 C ATOM 578 NE ARG A 43 12.012 0.643 2.460 1.00 0.00 N ATOM 579 CZ ARG A 43 12.007 -0.667 2.681 1.00 0.00 C ATOM 580 NH1 ARG A 43 12.368 -1.514 1.723 1.00 0.00 N ATOM 581 NH2 ARG A 43 11.657 -1.124 3.873 1.00 0.00 N ATOM 0 H ARG A 43 10.354 5.238 -0.565 1.00 0.00 H new ATOM 0 HA ARG A 43 12.952 5.314 0.840 1.00 0.00 H new ATOM 0 HB2 ARG A 43 11.912 3.079 -0.924 1.00 0.00 H new ATOM 0 HB3 ARG A 43 13.530 3.201 -0.260 1.00 0.00 H new ATOM 0 HG2 ARG A 43 12.483 3.215 2.059 1.00 0.00 H new ATOM 0 HG3 ARG A 43 10.942 2.870 1.300 1.00 0.00 H new ATOM 0 HD2 ARG A 43 11.811 0.785 0.375 1.00 0.00 H new ATOM 0 HD3 ARG A 43 13.415 1.145 0.981 1.00 0.00 H new ATOM 0 HE ARG A 43 11.760 1.253 3.237 1.00 0.00 H new ATOM 0 HH11 ARG A 43 12.652 -1.160 0.810 1.00 0.00 H new ATOM 0 HH12 ARG A 43 12.361 -2.518 1.901 1.00 0.00 H new ATOM 0 HH21 ARG A 43 11.394 -0.472 4.612 1.00 0.00 H new ATOM 0 HH22 ARG A 43 11.650 -2.128 4.052 1.00 0.00 H new ATOM 595 N GLY A 44 13.885 6.422 -1.121 1.00 0.00 N ATOM 596 CA GLY A 44 14.390 7.193 -2.241 1.00 0.00 C ATOM 597 C GLY A 44 13.323 8.097 -2.833 1.00 0.00 C ATOM 598 O GLY A 44 13.215 8.229 -4.056 1.00 0.00 O ATOM 0 H GLY A 44 14.411 6.535 -0.255 1.00 0.00 H new ATOM 0 HA2 GLY A 44 15.237 7.797 -1.914 1.00 0.00 H new ATOM 0 HA3 GLY A 44 14.760 6.516 -3.011 1.00 0.00 H new ATOM 602 N GLY A 45 12.529 8.719 -1.960 1.00 0.00 N ATOM 603 CA GLY A 45 11.440 9.586 -2.397 1.00 0.00 C ATOM 604 C GLY A 45 10.228 8.827 -2.916 1.00 0.00 C ATOM 605 O GLY A 45 9.162 9.411 -3.104 1.00 0.00 O ATOM 0 H GLY A 45 12.622 8.637 -0.948 1.00 0.00 H new ATOM 0 HA2 GLY A 45 11.133 10.218 -1.564 1.00 0.00 H new ATOM 0 HA3 GLY A 45 11.806 10.249 -3.181 1.00 0.00 H new ATOM 609 N ARG A 46 10.385 7.538 -3.142 1.00 0.00 N ATOM 610 CA ARG A 46 9.317 6.718 -3.679 1.00 0.00 C ATOM 611 C ARG A 46 8.491 6.073 -2.566 1.00 0.00 C ATOM 612 O ARG A 46 9.019 5.320 -1.742 1.00 0.00 O ATOM 613 CB ARG A 46 9.906 5.635 -4.565 1.00 0.00 C ATOM 614 CG ARG A 46 10.757 6.154 -5.724 1.00 0.00 C ATOM 615 CD ARG A 46 9.919 6.573 -6.934 1.00 0.00 C ATOM 616 NE ARG A 46 9.148 7.803 -6.711 1.00 0.00 N ATOM 617 CZ ARG A 46 9.260 8.911 -7.458 1.00 0.00 C ATOM 618 NH1 ARG A 46 10.149 8.969 -8.454 1.00 0.00 N ATOM 619 NH2 ARG A 46 8.488 9.959 -7.206 1.00 0.00 N ATOM 0 H ARG A 46 11.251 7.031 -2.960 1.00 0.00 H new ATOM 0 HA ARG A 46 8.657 7.361 -4.261 1.00 0.00 H new ATOM 0 HB2 ARG A 46 10.517 4.974 -3.951 1.00 0.00 H new ATOM 0 HB3 ARG A 46 9.093 5.033 -4.970 1.00 0.00 H new ATOM 0 HG2 ARG A 46 11.346 7.006 -5.383 1.00 0.00 H new ATOM 0 HG3 ARG A 46 11.462 5.379 -6.027 1.00 0.00 H new ATOM 0 HD2 ARG A 46 10.577 6.716 -7.791 1.00 0.00 H new ATOM 0 HD3 ARG A 46 9.234 5.765 -7.190 1.00 0.00 H new ATOM 0 HE ARG A 46 8.484 7.815 -5.937 1.00 0.00 H new ATOM 0 HH11 ARG A 46 10.748 8.167 -8.650 1.00 0.00 H new ATOM 0 HH12 ARG A 46 10.229 9.815 -9.018 1.00 0.00 H new ATOM 0 HH21 ARG A 46 7.810 9.922 -6.445 1.00 0.00 H new ATOM 0 HH22 ARG A 46 8.572 10.803 -7.773 1.00 0.00 H new ATOM 633 N PRO A 47 7.189 6.362 -2.526 1.00 0.00 N ATOM 634 CA PRO A 47 6.277 5.775 -1.539 1.00 0.00 C ATOM 635 C PRO A 47 5.974 4.305 -1.844 1.00 0.00 C ATOM 636 O PRO A 47 5.232 3.996 -2.760 1.00 0.00 O ATOM 637 CB PRO A 47 5.017 6.621 -1.694 1.00 0.00 C ATOM 638 CG PRO A 47 5.053 7.109 -3.099 1.00 0.00 C ATOM 639 CD PRO A 47 6.499 7.302 -3.432 1.00 0.00 C ATOM 0 HA PRO A 47 6.693 5.780 -0.531 1.00 0.00 H new ATOM 0 HB2 PRO A 47 4.120 6.032 -1.503 1.00 0.00 H new ATOM 0 HB3 PRO A 47 5.009 7.451 -0.988 1.00 0.00 H new ATOM 0 HG2 PRO A 47 4.590 6.389 -3.774 1.00 0.00 H new ATOM 0 HG3 PRO A 47 4.501 8.043 -3.202 1.00 0.00 H new ATOM 0 HD2 PRO A 47 6.704 7.075 -4.478 1.00 0.00 H new ATOM 0 HD3 PRO A 47 6.817 8.331 -3.261 1.00 0.00 H new ATOM 647 N THR A 48 6.536 3.409 -1.065 1.00 0.00 N ATOM 648 CA THR A 48 6.386 1.991 -1.325 1.00 0.00 C ATOM 649 C THR A 48 5.613 1.293 -0.197 1.00 0.00 C ATOM 650 O THR A 48 5.630 1.741 0.945 1.00 0.00 O ATOM 651 CB THR A 48 7.776 1.332 -1.475 1.00 0.00 C ATOM 652 OG1 THR A 48 8.610 2.156 -2.303 1.00 0.00 O ATOM 653 CG2 THR A 48 7.666 -0.046 -2.103 1.00 0.00 C ATOM 0 H THR A 48 7.101 3.634 -0.246 1.00 0.00 H new ATOM 0 HA THR A 48 5.821 1.881 -2.250 1.00 0.00 H new ATOM 0 HB THR A 48 8.211 1.229 -0.481 1.00 0.00 H new ATOM 0 HG1 THR A 48 9.492 1.739 -2.397 1.00 0.00 H new ATOM 0 HG21 THR A 48 8.660 -0.484 -2.195 1.00 0.00 H new ATOM 0 HG22 THR A 48 7.045 -0.684 -1.474 1.00 0.00 H new ATOM 0 HG23 THR A 48 7.214 0.040 -3.091 1.00 0.00 H new ATOM 661 N CYS A 49 4.918 0.218 -0.535 1.00 0.00 N ATOM 662 CA CYS A 49 4.216 -0.587 0.455 1.00 0.00 C ATOM 663 C CYS A 49 5.119 -1.709 0.915 1.00 0.00 C ATOM 664 O CYS A 49 5.364 -2.665 0.172 1.00 0.00 O ATOM 665 CB CYS A 49 2.927 -1.172 -0.141 1.00 0.00 C ATOM 666 SG CYS A 49 2.107 -2.429 0.902 1.00 0.00 S ATOM 0 H CYS A 49 4.824 -0.119 -1.493 1.00 0.00 H new ATOM 0 HA CYS A 49 3.950 0.045 1.302 1.00 0.00 H new ATOM 0 HB2 CYS A 49 2.226 -0.358 -0.325 1.00 0.00 H new ATOM 0 HB3 CYS A 49 3.159 -1.617 -1.108 1.00 0.00 H new ATOM 671 N VAL A 50 5.636 -1.589 2.119 1.00 0.00 N ATOM 672 CA VAL A 50 6.539 -2.580 2.632 1.00 0.00 C ATOM 673 C VAL A 50 5.895 -3.370 3.760 1.00 0.00 C ATOM 674 O VAL A 50 5.314 -2.804 4.695 1.00 0.00 O ATOM 675 CB VAL A 50 7.890 -1.966 3.087 1.00 0.00 C ATOM 676 CG1 VAL A 50 8.543 -1.209 1.940 1.00 0.00 C ATOM 677 CG2 VAL A 50 7.706 -1.053 4.281 1.00 0.00 C ATOM 0 H VAL A 50 5.443 -0.815 2.755 1.00 0.00 H new ATOM 0 HA VAL A 50 6.759 -3.264 1.813 1.00 0.00 H new ATOM 0 HB VAL A 50 8.544 -2.785 3.387 1.00 0.00 H new ATOM 0 HG11 VAL A 50 9.489 -0.785 2.276 1.00 0.00 H new ATOM 0 HG12 VAL A 50 8.726 -1.892 1.111 1.00 0.00 H new ATOM 0 HG13 VAL A 50 7.882 -0.407 1.611 1.00 0.00 H new ATOM 0 HG21 VAL A 50 8.671 -0.639 4.575 1.00 0.00 H new ATOM 0 HG22 VAL A 50 7.028 -0.241 4.017 1.00 0.00 H new ATOM 0 HG23 VAL A 50 7.286 -1.620 5.112 1.00 0.00 H new ATOM 687 N CYS A 51 5.971 -4.668 3.656 1.00 0.00 N ATOM 688 CA CYS A 51 5.384 -5.529 4.647 1.00 0.00 C ATOM 689 C CYS A 51 6.431 -6.009 5.623 1.00 0.00 C ATOM 690 O CYS A 51 7.627 -6.027 5.312 1.00 0.00 O ATOM 691 CB CYS A 51 4.716 -6.722 3.979 1.00 0.00 C ATOM 692 SG CYS A 51 3.616 -6.285 2.598 1.00 0.00 S ATOM 0 H CYS A 51 6.436 -5.156 2.891 1.00 0.00 H new ATOM 0 HA CYS A 51 4.633 -4.959 5.193 1.00 0.00 H new ATOM 0 HB2 CYS A 51 5.488 -7.399 3.613 1.00 0.00 H new ATOM 0 HB3 CYS A 51 4.142 -7.268 4.727 1.00 0.00 H new ATOM 697 N SER A 52 5.989 -6.380 6.794 1.00 0.00 N ATOM 698 CA SER A 52 6.863 -6.903 7.806 1.00 0.00 C ATOM 699 C SER A 52 6.262 -8.167 8.395 1.00 0.00 C ATOM 700 O SER A 52 5.046 -8.400 8.271 1.00 0.00 O ATOM 701 CB SER A 52 7.128 -5.847 8.879 1.00 0.00 C ATOM 702 OG SER A 52 5.958 -5.111 9.170 1.00 0.00 O ATOM 0 H SER A 52 5.009 -6.327 7.073 1.00 0.00 H new ATOM 0 HA SER A 52 7.824 -7.160 7.361 1.00 0.00 H new ATOM 0 HB2 SER A 52 7.492 -6.329 9.786 1.00 0.00 H new ATOM 0 HB3 SER A 52 7.912 -5.170 8.541 1.00 0.00 H new ATOM 0 HG SER A 52 6.155 -4.444 9.860 1.00 0.00 H new ATOM 708 N ARG A 53 7.107 -8.982 9.032 1.00 0.00 N ATOM 709 CA ARG A 53 6.689 -10.276 9.568 1.00 0.00 C ATOM 710 C ARG A 53 6.180 -11.164 8.427 1.00 0.00 C ATOM 711 O ARG A 53 5.112 -11.760 8.506 1.00 0.00 O ATOM 712 CB ARG A 53 5.612 -10.100 10.654 1.00 0.00 C ATOM 713 CG ARG A 53 6.000 -9.121 11.756 1.00 0.00 C ATOM 714 CD ARG A 53 7.224 -9.589 12.531 1.00 0.00 C ATOM 715 NE ARG A 53 7.770 -8.520 13.370 1.00 0.00 N ATOM 716 CZ ARG A 53 8.391 -8.709 14.542 1.00 0.00 C ATOM 717 NH1 ARG A 53 8.507 -9.932 15.056 1.00 0.00 N ATOM 718 NH2 ARG A 53 8.882 -7.666 15.204 1.00 0.00 N ATOM 0 H ARG A 53 8.091 -8.764 9.189 1.00 0.00 H new ATOM 0 HA ARG A 53 7.547 -10.760 10.035 1.00 0.00 H new ATOM 0 HB2 ARG A 53 4.690 -9.757 10.185 1.00 0.00 H new ATOM 0 HB3 ARG A 53 5.400 -11.071 11.102 1.00 0.00 H new ATOM 0 HG2 ARG A 53 6.201 -8.143 11.318 1.00 0.00 H new ATOM 0 HG3 ARG A 53 5.162 -8.997 12.442 1.00 0.00 H new ATOM 0 HD2 ARG A 53 6.957 -10.442 13.155 1.00 0.00 H new ATOM 0 HD3 ARG A 53 7.988 -9.932 11.833 1.00 0.00 H new ATOM 0 HE ARG A 53 7.670 -7.561 13.038 1.00 0.00 H new ATOM 0 HH11 ARG A 53 8.122 -10.734 14.557 1.00 0.00 H new ATOM 0 HH12 ARG A 53 8.981 -10.067 15.949 1.00 0.00 H new ATOM 0 HH21 ARG A 53 8.785 -6.726 14.819 1.00 0.00 H new ATOM 0 HH22 ARG A 53 9.355 -7.805 16.097 1.00 0.00 H new ATOM 732 N CYS A 54 6.963 -11.213 7.364 1.00 0.00 N ATOM 733 CA CYS A 54 6.638 -12.015 6.193 1.00 0.00 C ATOM 734 C CYS A 54 7.456 -13.295 6.220 1.00 0.00 C ATOM 735 O CYS A 54 8.668 -13.244 6.475 1.00 0.00 O ATOM 736 CB CYS A 54 6.946 -11.247 4.914 1.00 0.00 C ATOM 737 SG CYS A 54 6.066 -9.663 4.751 1.00 0.00 S ATOM 0 H CYS A 54 7.841 -10.700 7.286 1.00 0.00 H new ATOM 0 HA CYS A 54 5.574 -12.250 6.212 1.00 0.00 H new ATOM 0 HB2 CYS A 54 8.019 -11.058 4.869 1.00 0.00 H new ATOM 0 HB3 CYS A 54 6.697 -11.876 4.059 1.00 0.00 H new ATOM 742 N GLY A 55 6.828 -14.433 5.906 1.00 0.00 N ATOM 743 CA GLY A 55 7.510 -15.715 6.017 1.00 0.00 C ATOM 744 C GLY A 55 7.787 -16.050 7.468 1.00 0.00 C ATOM 745 O GLY A 55 7.093 -16.872 8.070 1.00 0.00 O ATOM 0 H GLY A 55 5.864 -14.488 5.578 1.00 0.00 H new ATOM 0 HA2 GLY A 55 6.899 -16.498 5.568 1.00 0.00 H new ATOM 0 HA3 GLY A 55 8.447 -15.684 5.461 1.00 0.00 H new ATOM 749 N ASN A 56 8.807 -15.417 8.023 1.00 0.00 N ATOM 750 CA ASN A 56 9.078 -15.499 9.440 1.00 0.00 C ATOM 751 C ASN A 56 8.202 -14.477 10.130 1.00 0.00 C ATOM 752 O ASN A 56 7.323 -13.903 9.485 1.00 0.00 O ATOM 753 CB ASN A 56 10.557 -15.251 9.740 1.00 0.00 C ATOM 754 CG ASN A 56 11.408 -16.486 9.511 1.00 0.00 C ATOM 755 OD1 ASN A 56 11.887 -16.733 8.406 1.00 0.00 O ATOM 756 ND2 ASN A 56 11.608 -17.268 10.557 1.00 0.00 N ATOM 0 H ASN A 56 9.465 -14.836 7.503 1.00 0.00 H new ATOM 0 HA ASN A 56 8.854 -16.500 9.807 1.00 0.00 H new ATOM 0 HB2 ASN A 56 10.922 -14.440 9.110 1.00 0.00 H new ATOM 0 HB3 ASN A 56 10.666 -14.925 10.774 1.00 0.00 H new ATOM 0 HD21 ASN A 56 12.177 -18.110 10.463 1.00 0.00 H new ATOM 0 HD22 ASN A 56 11.194 -17.030 11.458 1.00 0.00 H new ATOM 763 N GLY A 57 8.434 -14.189 11.398 1.00 0.00 N ATOM 764 CA GLY A 57 7.485 -13.353 12.093 1.00 0.00 C ATOM 765 C GLY A 57 6.144 -14.043 12.100 1.00 0.00 C ATOM 766 O GLY A 57 5.136 -13.502 11.641 1.00 0.00 O ATOM 0 H GLY A 57 9.235 -14.507 11.944 1.00 0.00 H new ATOM 0 HA2 GLY A 57 7.820 -13.169 13.114 1.00 0.00 H new ATOM 0 HA3 GLY A 57 7.408 -12.382 11.603 1.00 0.00 H new ATOM 770 N GLY A 58 6.142 -15.224 12.662 1.00 0.00 N ATOM 771 CA GLY A 58 4.997 -16.079 12.595 1.00 0.00 C ATOM 772 C GLY A 58 5.108 -17.209 13.560 1.00 0.00 C ATOM 773 O GLY A 58 6.198 -17.488 14.073 1.00 0.00 O ATOM 0 H GLY A 58 6.932 -15.614 13.175 1.00 0.00 H new ATOM 0 HA2 GLY A 58 4.097 -15.502 12.809 1.00 0.00 H new ATOM 0 HA3 GLY A 58 4.892 -16.471 11.583 1.00 0.00 H new ATOM 777 N GLY A 59 4.005 -17.852 13.831 1.00 0.00 N ATOM 778 CA GLY A 59 4.005 -18.913 14.790 1.00 0.00 C ATOM 779 C GLY A 59 3.713 -18.350 16.144 1.00 0.00 C ATOM 780 O GLY A 59 4.387 -17.406 16.591 1.00 0.00 O ATOM 0 H GLY A 59 3.100 -17.658 13.401 1.00 0.00 H new ATOM 0 HA2 GLY A 59 3.257 -19.660 14.524 1.00 0.00 H new ATOM 0 HA3 GLY A 59 4.971 -19.417 14.793 1.00 0.00 H new ATOM 784 N GLU A 60 2.739 -18.904 16.815 1.00 0.00 N ATOM 785 CA GLU A 60 2.305 -18.354 18.059 1.00 0.00 C ATOM 786 C GLU A 60 1.432 -19.351 18.792 1.00 0.00 C ATOM 787 O GLU A 60 0.899 -20.288 18.191 1.00 0.00 O ATOM 788 CB GLU A 60 1.564 -17.028 17.832 1.00 0.00 C ATOM 789 CG GLU A 60 1.452 -16.165 19.077 1.00 0.00 C ATOM 790 CD GLU A 60 2.794 -15.918 19.728 1.00 0.00 C ATOM 791 OE1 GLU A 60 3.268 -16.804 20.470 1.00 0.00 O ATOM 792 OE2 GLU A 60 3.389 -14.852 19.497 1.00 0.00 O ATOM 0 H GLU A 60 2.234 -19.738 16.515 1.00 0.00 H new ATOM 0 HA GLU A 60 3.178 -18.146 18.678 1.00 0.00 H new ATOM 0 HB2 GLU A 60 2.080 -16.463 17.055 1.00 0.00 H new ATOM 0 HB3 GLU A 60 0.563 -17.242 17.459 1.00 0.00 H new ATOM 0 HG2 GLU A 60 0.997 -15.210 18.814 1.00 0.00 H new ATOM 0 HG3 GLU A 60 0.787 -16.649 19.793 1.00 0.00 H new ATOM 799 N TRP A 61 1.272 -19.128 20.070 1.00 0.00 N ATOM 800 CA TRP A 61 0.505 -20.009 20.910 1.00 0.00 C ATOM 801 C TRP A 61 0.108 -19.317 22.221 1.00 0.00 C ATOM 802 O TRP A 61 0.493 -19.737 23.306 1.00 0.00 O ATOM 803 CB TRP A 61 1.233 -21.354 21.140 1.00 0.00 C ATOM 804 CG TRP A 61 2.617 -21.274 21.685 1.00 0.00 C ATOM 805 CD1 TRP A 61 2.961 -21.445 22.975 1.00 0.00 C ATOM 806 CD2 TRP A 61 3.838 -21.052 20.961 1.00 0.00 C ATOM 807 NE1 TRP A 61 4.320 -21.310 23.127 1.00 0.00 N ATOM 808 CE2 TRP A 61 4.881 -21.072 21.899 1.00 0.00 C ATOM 809 CE3 TRP A 61 4.148 -20.829 19.617 1.00 0.00 C ATOM 810 CZ2 TRP A 61 6.209 -20.880 21.539 1.00 0.00 C ATOM 811 CZ3 TRP A 61 5.466 -20.639 19.260 1.00 0.00 C ATOM 812 CH2 TRP A 61 6.482 -20.665 20.217 1.00 0.00 C ATOM 0 H TRP A 61 1.672 -18.327 20.559 1.00 0.00 H new ATOM 0 HA TRP A 61 -0.422 -20.250 20.389 1.00 0.00 H new ATOM 0 HB2 TRP A 61 0.632 -21.956 21.822 1.00 0.00 H new ATOM 0 HB3 TRP A 61 1.270 -21.889 20.191 1.00 0.00 H new ATOM 0 HD1 TRP A 61 2.268 -21.658 23.776 1.00 0.00 H new ATOM 0 HE1 TRP A 61 4.828 -21.376 24.009 1.00 0.00 H new ATOM 0 HE3 TRP A 61 3.368 -20.806 18.870 1.00 0.00 H new ATOM 0 HZ2 TRP A 61 6.997 -20.900 22.277 1.00 0.00 H new ATOM 0 HZ3 TRP A 61 5.716 -20.467 18.224 1.00 0.00 H new ATOM 0 HH2 TRP A 61 7.505 -20.512 19.906 1.00 0.00 H new ATOM 823 N PRO A 62 -0.706 -18.252 22.132 1.00 0.00 N ATOM 824 CA PRO A 62 -1.087 -17.456 23.282 1.00 0.00 C ATOM 825 C PRO A 62 -2.403 -17.919 23.894 1.00 0.00 C ATOM 826 O PRO A 62 -2.901 -17.325 24.850 1.00 0.00 O ATOM 827 CB PRO A 62 -1.242 -16.067 22.671 1.00 0.00 C ATOM 828 CG PRO A 62 -1.678 -16.306 21.247 1.00 0.00 C ATOM 829 CD PRO A 62 -1.342 -17.746 20.905 1.00 0.00 C ATOM 0 HA PRO A 62 -0.365 -17.515 24.096 1.00 0.00 H new ATOM 0 HB2 PRO A 62 -1.980 -15.478 23.215 1.00 0.00 H new ATOM 0 HB3 PRO A 62 -0.303 -15.514 22.708 1.00 0.00 H new ATOM 0 HG2 PRO A 62 -2.747 -16.125 21.137 1.00 0.00 H new ATOM 0 HG3 PRO A 62 -1.168 -15.621 20.569 1.00 0.00 H new ATOM 0 HD2 PRO A 62 -2.235 -18.317 20.651 1.00 0.00 H new ATOM 0 HD3 PRO A 62 -0.670 -17.809 20.049 1.00 0.00 H new ATOM 837 N ASN A 63 -2.950 -18.983 23.344 1.00 0.00 N ATOM 838 CA ASN A 63 -4.225 -19.516 23.799 1.00 0.00 C ATOM 839 C ASN A 63 -4.224 -21.040 23.656 1.00 0.00 C ATOM 840 O ASN A 63 -5.249 -21.696 23.837 1.00 0.00 O ATOM 841 CB ASN A 63 -5.357 -18.886 22.957 1.00 0.00 C ATOM 842 CG ASN A 63 -6.749 -19.080 23.540 1.00 0.00 C ATOM 843 OD1 ASN A 63 -7.201 -18.289 24.365 1.00 0.00 O ATOM 844 ND2 ASN A 63 -7.447 -20.103 23.092 1.00 0.00 N ATOM 0 H ASN A 63 -2.530 -19.503 22.574 1.00 0.00 H new ATOM 0 HA ASN A 63 -4.384 -19.271 24.849 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -5.165 -17.818 22.851 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -5.332 -19.315 21.955 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -8.397 -20.260 23.430 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -7.038 -20.739 22.407 1.00 0.00 H new ATOM 851 N LEU A 64 -3.032 -21.586 23.359 1.00 0.00 N ATOM 852 CA LEU A 64 -2.830 -23.023 23.122 1.00 0.00 C ATOM 853 C LEU A 64 -3.443 -23.422 21.781 1.00 0.00 C ATOM 854 O LEU A 64 -4.661 -23.484 21.633 1.00 0.00 O ATOM 855 CB LEU A 64 -3.395 -23.887 24.265 1.00 0.00 C ATOM 856 CG LEU A 64 -2.840 -23.593 25.666 1.00 0.00 C ATOM 857 CD1 LEU A 64 -3.442 -24.542 26.687 1.00 0.00 C ATOM 858 CD2 LEU A 64 -1.322 -23.689 25.680 1.00 0.00 C ATOM 0 H LEU A 64 -2.176 -21.037 23.276 1.00 0.00 H new ATOM 0 HA LEU A 64 -1.756 -23.207 23.092 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -4.477 -23.759 24.290 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -3.203 -24.934 24.032 1.00 0.00 H new ATOM 0 HG LEU A 64 -3.118 -22.574 25.934 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -3.037 -24.319 27.674 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -4.525 -24.420 26.703 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -3.197 -25.569 26.418 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -0.953 -23.477 26.683 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -1.018 -24.694 25.387 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -0.905 -22.965 24.980 1.00 0.00 H new ATOM 870 N PRO A 65 -2.596 -23.691 20.783 1.00 0.00 N ATOM 871 CA PRO A 65 -3.038 -24.008 19.428 1.00 0.00 C ATOM 872 C PRO A 65 -3.358 -25.489 19.250 1.00 0.00 C ATOM 873 O PRO A 65 -2.890 -26.128 18.309 1.00 0.00 O ATOM 874 CB PRO A 65 -1.821 -23.622 18.595 1.00 0.00 C ATOM 875 CG PRO A 65 -0.656 -23.931 19.475 1.00 0.00 C ATOM 876 CD PRO A 65 -1.126 -23.731 20.900 1.00 0.00 C ATOM 0 HA PRO A 65 -3.958 -23.491 19.155 1.00 0.00 H new ATOM 0 HB2 PRO A 65 -1.779 -24.190 17.666 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -1.844 -22.567 18.322 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -0.314 -24.954 19.320 1.00 0.00 H new ATOM 0 HG3 PRO A 65 0.185 -23.276 19.249 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -0.798 -24.544 21.547 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -0.733 -22.807 21.325 1.00 0.00 H new ATOM 884 N SER A 66 -4.173 -26.022 20.139 1.00 0.00 N ATOM 885 CA SER A 66 -4.553 -27.423 20.078 1.00 0.00 C ATOM 886 C SER A 66 -5.655 -27.642 19.041 1.00 0.00 C ATOM 887 O SER A 66 -6.049 -28.773 18.756 1.00 0.00 O ATOM 888 CB SER A 66 -5.003 -27.893 21.455 1.00 0.00 C ATOM 889 OG SER A 66 -4.033 -27.552 22.435 1.00 0.00 O ATOM 0 H SER A 66 -4.587 -25.506 20.915 1.00 0.00 H new ATOM 0 HA SER A 66 -3.688 -28.011 19.771 1.00 0.00 H new ATOM 0 HB2 SER A 66 -5.960 -27.437 21.707 1.00 0.00 H new ATOM 0 HB3 SER A 66 -5.157 -28.972 21.446 1.00 0.00 H new ATOM 0 HG SER A 66 -4.336 -27.858 23.315 1.00 0.00 H new ATOM 895 N ARG A 67 -6.134 -26.551 18.483 1.00 0.00 N ATOM 896 CA ARG A 67 -7.163 -26.579 17.457 1.00 0.00 C ATOM 897 C ARG A 67 -6.539 -26.690 16.069 1.00 0.00 C ATOM 898 O ARG A 67 -5.323 -26.834 15.929 1.00 0.00 O ATOM 899 CB ARG A 67 -8.012 -25.310 17.531 1.00 0.00 C ATOM 900 CG ARG A 67 -7.185 -24.033 17.608 1.00 0.00 C ATOM 901 CD ARG A 67 -7.970 -22.823 17.144 1.00 0.00 C ATOM 902 NE ARG A 67 -8.205 -22.849 15.699 1.00 0.00 N ATOM 903 CZ ARG A 67 -8.823 -21.887 15.014 1.00 0.00 C ATOM 904 NH1 ARG A 67 -9.295 -20.810 15.636 1.00 0.00 N ATOM 905 NH2 ARG A 67 -8.967 -22.009 13.703 1.00 0.00 N ATOM 0 H ARG A 67 -5.821 -25.612 18.728 1.00 0.00 H new ATOM 0 HA ARG A 67 -7.793 -27.451 17.631 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -8.659 -25.263 16.655 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -8.662 -25.367 18.404 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -6.851 -23.878 18.634 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -6.290 -24.142 16.995 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -8.926 -22.787 17.667 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -7.428 -21.915 17.408 1.00 0.00 H new ATOM 0 HE ARG A 67 -7.872 -23.661 15.180 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -9.185 -20.715 16.646 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -9.766 -20.079 15.103 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -8.606 -22.835 13.225 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -9.439 -21.277 13.171 1.00 0.00 H new ATOM 919 N GLY A 68 -7.375 -26.620 15.054 1.00 0.00 N ATOM 920 CA GLY A 68 -6.902 -26.668 13.696 1.00 0.00 C ATOM 921 C GLY A 68 -7.107 -25.346 12.996 1.00 0.00 C ATOM 922 O GLY A 68 -7.331 -25.346 11.772 1.00 0.00 O ATOM 923 OXT GLY A 68 -7.050 -24.294 13.673 1.00 0.00 O ATOM 0 H GLY A 68 -8.387 -26.530 15.149 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -5.843 -26.926 13.687 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -7.427 -27.454 13.154 1.00 0.00 H new TER 927 GLY A 68