USER MOD reduce.3.24.130724 H: found=0, std=0, add=520, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 519 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 21 SER OG : rot 88:sc= 1.4 USER MOD Set 1.2: A 60 ASN : amide:sc= 1.78 K(o=3.2,f=-5.9!) USER MOD Set 2.1: A 4 THR OG1 : rot 39:sc= -1.37! USER MOD Set 2.2: A 11 SER OG : rot 42:sc= 0.416 USER MOD Single : A 1 SER N :NH3+ 154:sc= 0.0696 (180deg=0) USER MOD Single : A 1 SER OG : rot 180:sc= 0.0443 USER MOD Single : A 8 ASN : amide:sc=-0.00617 X(o=-0.0062,f=0) USER MOD Single : A 9 GLN : amide:sc= -1.66 K(o=-1.7,f=-3.1!) USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 23 THR OG1 : rot 180:sc= -0.205 USER MOD Single : A 34 SER OG : rot -126:sc= 1.21 USER MOD Single : A 37 SER OG : rot 180:sc= 0.00641 USER MOD Single : A 39 SER OG : rot -153:sc= 1.27 USER MOD Single : A 42 TYR OH : rot 17:sc= -2.92! USER MOD Single : A 44 THR OG1 : rot -40:sc= 0.715 USER MOD Single : A 49 THR OG1 : rot 28:sc= -0.463 USER MOD Single : A 50 GLN : amide:sc= -4.28! C(o=-4.3!,f=-2.7!) USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 ASN : amide:sc= -0.037 X(o=-0.037,f=0) USER MOD Single : A 55 ASN : amide:sc= -1.16 K(o=-1.2,f=-14!) USER MOD Single : A 62 ASN : amide:sc= 0 K(o=0,f=-1.9) USER MOD Single : A 67 ASN : amide:sc= 1.23 K(o=1.2,f=-0.28) USER MOD Single : A 69 ASN : amide:sc= -1.54 K(o=-1.5,f=-9.7!) USER MOD Single : A 74 ASN : amide:sc= 0.508 K(o=0.51,f=0) USER MOD Single : A 75 SER OG : rot 125:sc= 1.65 USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 82 HIS : no HE2:sc= 0.0247 K(o=0.025,f=-1.5) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 30.825 -8.127 -0.524 1.00 0.00 N ATOM 2 CA SER A 1 31.615 -7.244 -1.409 1.00 0.00 C ATOM 3 C SER A 1 32.704 -6.522 -0.621 1.00 0.00 C ATOM 4 O SER A 1 32.556 -6.281 0.576 1.00 0.00 O ATOM 5 CB SER A 1 30.685 -6.232 -2.078 1.00 0.00 C ATOM 6 OG SER A 1 29.598 -6.890 -2.709 1.00 0.00 O ATOM 0 H1 SER A 1 29.874 -8.257 -0.923 1.00 0.00 H new ATOM 0 H2 SER A 1 31.297 -9.050 -0.444 1.00 0.00 H new ATOM 0 H3 SER A 1 30.748 -7.695 0.419 1.00 0.00 H new ATOM 0 HA SER A 1 32.099 -7.852 -2.174 1.00 0.00 H new ATOM 0 HB2 SER A 1 30.309 -5.529 -1.334 1.00 0.00 H new ATOM 0 HB3 SER A 1 31.241 -5.651 -2.813 1.00 0.00 H new ATOM 0 HG SER A 1 29.013 -6.226 -3.130 1.00 0.00 H new ATOM 14 N ALA A 2 33.799 -6.194 -1.294 1.00 0.00 N ATOM 15 CA ALA A 2 34.886 -5.446 -0.677 1.00 0.00 C ATOM 16 C ALA A 2 34.869 -4.008 -1.176 1.00 0.00 C ATOM 17 O ALA A 2 33.965 -3.623 -1.918 1.00 0.00 O ATOM 18 CB ALA A 2 36.224 -6.108 -0.977 1.00 0.00 C ATOM 0 H ALA A 2 33.958 -6.436 -2.272 1.00 0.00 H new ATOM 0 HA ALA A 2 34.748 -5.442 0.404 1.00 0.00 H new ATOM 0 HB1 ALA A 2 37.026 -5.537 -0.509 1.00 0.00 H new ATOM 0 HB2 ALA A 2 36.224 -7.124 -0.582 1.00 0.00 H new ATOM 0 HB3 ALA A 2 36.382 -6.138 -2.055 1.00 0.00 H new ATOM 24 N ARG A 3 35.857 -3.217 -0.780 1.00 0.00 N ATOM 25 CA ARG A 3 35.916 -1.826 -1.198 1.00 0.00 C ATOM 26 C ARG A 3 37.365 -1.364 -1.313 1.00 0.00 C ATOM 27 O ARG A 3 38.245 -1.926 -0.667 1.00 0.00 O ATOM 28 CB ARG A 3 35.170 -0.927 -0.200 1.00 0.00 C ATOM 29 CG ARG A 3 36.019 -0.486 0.983 1.00 0.00 C ATOM 30 CD ARG A 3 35.237 0.390 1.944 1.00 0.00 C ATOM 31 NE ARG A 3 36.120 1.270 2.715 1.00 0.00 N ATOM 32 CZ ARG A 3 36.139 1.343 4.045 1.00 0.00 C ATOM 33 NH1 ARG A 3 35.419 0.493 4.773 1.00 0.00 N ATOM 34 NH2 ARG A 3 36.918 2.239 4.645 1.00 0.00 N ATOM 0 H ARG A 3 36.622 -3.513 -0.174 1.00 0.00 H new ATOM 0 HA ARG A 3 35.436 -1.748 -2.174 1.00 0.00 H new ATOM 0 HB2 ARG A 3 34.806 -0.043 -0.724 1.00 0.00 H new ATOM 0 HB3 ARG A 3 34.295 -1.460 0.171 1.00 0.00 H new ATOM 0 HG2 ARG A 3 36.390 -1.364 1.512 1.00 0.00 H new ATOM 0 HG3 ARG A 3 36.891 0.060 0.621 1.00 0.00 H new ATOM 0 HD2 ARG A 3 34.520 0.992 1.386 1.00 0.00 H new ATOM 0 HD3 ARG A 3 34.664 -0.239 2.626 1.00 0.00 H new ATOM 0 HE ARG A 3 36.764 1.868 2.197 1.00 0.00 H new ATOM 0 HH11 ARG A 3 34.850 -0.218 4.313 1.00 0.00 H new ATOM 0 HH12 ARG A 3 35.436 0.552 5.791 1.00 0.00 H new ATOM 0 HH21 ARG A 3 37.497 2.866 4.087 1.00 0.00 H new ATOM 0 HH22 ARG A 3 36.936 2.299 5.663 1.00 0.00 H new ATOM 48 N THR A 4 37.580 -0.342 -2.145 1.00 0.00 N ATOM 49 CA THR A 4 38.863 0.369 -2.264 1.00 0.00 C ATOM 50 C THR A 4 40.073 -0.553 -2.470 1.00 0.00 C ATOM 51 O THR A 4 40.645 -1.064 -1.509 1.00 0.00 O ATOM 52 CB THR A 4 39.111 1.305 -1.052 1.00 0.00 C ATOM 53 OG1 THR A 4 38.927 0.601 0.184 1.00 0.00 O ATOM 54 CG2 THR A 4 38.174 2.504 -1.095 1.00 0.00 C ATOM 0 H THR A 4 36.858 0.023 -2.766 1.00 0.00 H new ATOM 0 HA THR A 4 38.768 0.967 -3.170 1.00 0.00 H new ATOM 0 HB THR A 4 40.142 1.655 -1.112 1.00 0.00 H new ATOM 0 HG1 THR A 4 39.290 -0.305 0.101 1.00 0.00 H new ATOM 0 HG21 THR A 4 38.366 3.147 -0.236 1.00 0.00 H new ATOM 0 HG22 THR A 4 38.344 3.066 -2.013 1.00 0.00 H new ATOM 0 HG23 THR A 4 37.140 2.159 -1.067 1.00 0.00 H new ATOM 62 N CYS A 5 40.444 -0.749 -3.741 1.00 0.00 N ATOM 63 CA CYS A 5 41.673 -1.466 -4.112 1.00 0.00 C ATOM 64 C CYS A 5 41.556 -2.983 -3.905 1.00 0.00 C ATOM 65 O CYS A 5 40.894 -3.457 -2.984 1.00 0.00 O ATOM 66 CB CYS A 5 42.875 -0.916 -3.329 1.00 0.00 C ATOM 67 SG CYS A 5 44.178 -0.151 -4.358 1.00 0.00 S ATOM 0 H CYS A 5 39.904 -0.417 -4.540 1.00 0.00 H new ATOM 0 HA CYS A 5 41.827 -1.297 -5.178 1.00 0.00 H new ATOM 0 HB2 CYS A 5 42.516 -0.176 -2.613 1.00 0.00 H new ATOM 0 HB3 CYS A 5 43.318 -1.729 -2.753 1.00 0.00 H new ATOM 72 N PRO A 6 42.179 -3.766 -4.804 1.00 0.00 N ATOM 73 CA PRO A 6 42.269 -5.223 -4.668 1.00 0.00 C ATOM 74 C PRO A 6 43.234 -5.633 -3.551 1.00 0.00 C ATOM 75 O PRO A 6 44.055 -4.832 -3.117 1.00 0.00 O ATOM 76 CB PRO A 6 42.807 -5.687 -6.034 1.00 0.00 C ATOM 77 CG PRO A 6 42.729 -4.493 -6.929 1.00 0.00 C ATOM 78 CD PRO A 6 42.821 -3.295 -6.034 1.00 0.00 C ATOM 0 HA PRO A 6 41.309 -5.667 -4.406 1.00 0.00 H new ATOM 0 HB2 PRO A 6 43.833 -6.046 -5.949 1.00 0.00 H new ATOM 0 HB3 PRO A 6 42.213 -6.511 -6.429 1.00 0.00 H new ATOM 0 HG2 PRO A 6 43.540 -4.498 -7.657 1.00 0.00 H new ATOM 0 HG3 PRO A 6 41.795 -4.488 -7.492 1.00 0.00 H new ATOM 0 HD2 PRO A 6 43.855 -2.995 -5.863 1.00 0.00 H new ATOM 0 HD3 PRO A 6 42.305 -2.433 -6.456 1.00 0.00 H new ATOM 86 N PRO A 7 43.157 -6.895 -3.083 1.00 0.00 N ATOM 87 CA PRO A 7 44.010 -7.403 -1.989 1.00 0.00 C ATOM 88 C PRO A 7 45.509 -7.343 -2.308 1.00 0.00 C ATOM 89 O PRO A 7 46.341 -7.312 -1.406 1.00 0.00 O ATOM 90 CB PRO A 7 43.563 -8.861 -1.828 1.00 0.00 C ATOM 91 CG PRO A 7 42.201 -8.914 -2.429 1.00 0.00 C ATOM 92 CD PRO A 7 42.214 -7.922 -3.556 1.00 0.00 C ATOM 0 HA PRO A 7 43.894 -6.798 -1.090 1.00 0.00 H new ATOM 0 HB2 PRO A 7 44.246 -9.542 -2.336 1.00 0.00 H new ATOM 0 HB3 PRO A 7 43.543 -9.154 -0.778 1.00 0.00 H new ATOM 0 HG2 PRO A 7 41.972 -9.916 -2.792 1.00 0.00 H new ATOM 0 HG3 PRO A 7 41.438 -8.660 -1.693 1.00 0.00 H new ATOM 0 HD2 PRO A 7 42.547 -8.376 -4.489 1.00 0.00 H new ATOM 0 HD3 PRO A 7 41.223 -7.506 -3.739 1.00 0.00 H new ATOM 100 N ASN A 8 45.852 -7.321 -3.591 1.00 0.00 N ATOM 101 CA ASN A 8 47.258 -7.249 -4.006 1.00 0.00 C ATOM 102 C ASN A 8 47.683 -5.790 -4.112 1.00 0.00 C ATOM 103 O ASN A 8 48.747 -5.460 -4.637 1.00 0.00 O ATOM 104 CB ASN A 8 47.452 -7.938 -5.360 1.00 0.00 C ATOM 105 CG ASN A 8 48.850 -8.505 -5.545 1.00 0.00 C ATOM 106 OD1 ASN A 8 49.101 -9.672 -5.251 1.00 0.00 O ATOM 107 ND2 ASN A 8 49.773 -7.683 -6.020 1.00 0.00 N ATOM 0 H ASN A 8 45.184 -7.352 -4.361 1.00 0.00 H new ATOM 0 HA ASN A 8 47.871 -7.758 -3.262 1.00 0.00 H new ATOM 0 HB2 ASN A 8 46.724 -8.743 -5.459 1.00 0.00 H new ATOM 0 HB3 ASN A 8 47.248 -7.223 -6.157 1.00 0.00 H new ATOM 0 HD21 ASN A 8 50.729 -8.012 -6.153 1.00 0.00 H new ATOM 0 HD22 ASN A 8 49.528 -6.721 -6.253 1.00 0.00 H new ATOM 114 N GLN A 9 46.834 -4.928 -3.597 1.00 0.00 N ATOM 115 CA GLN A 9 47.002 -3.501 -3.687 1.00 0.00 C ATOM 116 C GLN A 9 46.677 -2.881 -2.340 1.00 0.00 C ATOM 117 O GLN A 9 46.308 -3.582 -1.399 1.00 0.00 O ATOM 118 CB GLN A 9 46.066 -2.924 -4.755 1.00 0.00 C ATOM 119 CG GLN A 9 46.774 -2.330 -5.960 1.00 0.00 C ATOM 120 CD GLN A 9 47.419 -3.370 -6.865 1.00 0.00 C ATOM 121 OE1 GLN A 9 48.445 -3.116 -7.488 1.00 0.00 O ATOM 122 NE2 GLN A 9 46.813 -4.542 -6.964 1.00 0.00 N ATOM 0 H GLN A 9 45.992 -5.209 -3.095 1.00 0.00 H new ATOM 0 HA GLN A 9 48.032 -3.275 -3.964 1.00 0.00 H new ATOM 0 HB2 GLN A 9 45.395 -3.712 -5.096 1.00 0.00 H new ATOM 0 HB3 GLN A 9 45.446 -2.153 -4.298 1.00 0.00 H new ATOM 0 HG2 GLN A 9 46.058 -1.750 -6.541 1.00 0.00 H new ATOM 0 HG3 GLN A 9 47.541 -1.636 -5.614 1.00 0.00 H new ATOM 0 HE21 GLN A 9 45.961 -4.722 -6.433 1.00 0.00 H new ATOM 0 HE22 GLN A 9 47.198 -5.265 -7.572 1.00 0.00 H new ATOM 131 N PHE A 10 46.813 -1.580 -2.258 1.00 0.00 N ATOM 132 CA PHE A 10 46.473 -0.844 -1.065 1.00 0.00 C ATOM 133 C PHE A 10 45.798 0.462 -1.455 1.00 0.00 C ATOM 134 O PHE A 10 46.159 1.090 -2.435 1.00 0.00 O ATOM 135 CB PHE A 10 47.723 -0.579 -0.225 1.00 0.00 C ATOM 136 CG PHE A 10 47.474 0.362 0.912 1.00 0.00 C ATOM 137 CD1 PHE A 10 46.768 -0.050 2.029 1.00 0.00 C ATOM 138 CD2 PHE A 10 47.929 1.668 0.852 1.00 0.00 C ATOM 139 CE1 PHE A 10 46.514 0.826 3.067 1.00 0.00 C ATOM 140 CE2 PHE A 10 47.683 2.545 1.886 1.00 0.00 C ATOM 141 CZ PHE A 10 46.973 2.125 2.995 1.00 0.00 C ATOM 0 H PHE A 10 47.164 -1.000 -3.020 1.00 0.00 H new ATOM 0 HA PHE A 10 45.784 -1.434 -0.461 1.00 0.00 H new ATOM 0 HB2 PHE A 10 48.097 -1.524 0.168 1.00 0.00 H new ATOM 0 HB3 PHE A 10 48.504 -0.168 -0.865 1.00 0.00 H new ATOM 0 HD1 PHE A 10 46.412 -1.068 2.090 1.00 0.00 H new ATOM 0 HD2 PHE A 10 48.482 2.003 -0.013 1.00 0.00 H new ATOM 0 HE1 PHE A 10 45.958 0.495 3.932 1.00 0.00 H new ATOM 0 HE2 PHE A 10 48.045 3.561 1.830 1.00 0.00 H new ATOM 0 HZ PHE A 10 46.778 2.813 3.804 1.00 0.00 H new ATOM 151 N SER A 11 44.815 0.865 -0.696 1.00 0.00 N ATOM 152 CA SER A 11 44.060 2.045 -1.014 1.00 0.00 C ATOM 153 C SER A 11 44.394 3.184 -0.068 1.00 0.00 C ATOM 154 O SER A 11 44.114 3.104 1.129 1.00 0.00 O ATOM 155 CB SER A 11 42.566 1.736 -0.945 1.00 0.00 C ATOM 156 OG SER A 11 42.229 1.185 0.316 1.00 0.00 O ATOM 0 H SER A 11 44.517 0.388 0.155 1.00 0.00 H new ATOM 0 HA SER A 11 44.324 2.356 -2.025 1.00 0.00 H new ATOM 0 HB2 SER A 11 41.992 2.647 -1.115 1.00 0.00 H new ATOM 0 HB3 SER A 11 42.297 1.037 -1.737 1.00 0.00 H new ATOM 0 HG SER A 11 42.695 1.678 1.023 1.00 0.00 H new ATOM 162 N CYS A 12 45.011 4.230 -0.604 1.00 0.00 N ATOM 163 CA CYS A 12 45.184 5.463 0.144 1.00 0.00 C ATOM 164 C CYS A 12 43.815 5.948 0.609 1.00 0.00 C ATOM 165 O CYS A 12 42.820 5.708 -0.084 1.00 0.00 O ATOM 166 CB CYS A 12 45.893 6.530 -0.706 1.00 0.00 C ATOM 167 SG CYS A 12 45.617 8.252 -0.154 1.00 0.00 S ATOM 0 H CYS A 12 45.397 4.247 -1.548 1.00 0.00 H new ATOM 0 HA CYS A 12 45.816 5.277 1.012 1.00 0.00 H new ATOM 0 HB2 CYS A 12 46.964 6.328 -0.700 1.00 0.00 H new ATOM 0 HB3 CYS A 12 45.557 6.435 -1.739 1.00 0.00 H new ATOM 172 N ALA A 13 43.803 6.687 1.722 1.00 0.00 N ATOM 173 CA ALA A 13 42.604 6.971 2.531 1.00 0.00 C ATOM 174 C ALA A 13 41.277 6.898 1.768 1.00 0.00 C ATOM 175 O ALA A 13 40.765 7.909 1.291 1.00 0.00 O ATOM 176 CB ALA A 13 42.746 8.344 3.168 1.00 0.00 C ATOM 0 H ALA A 13 44.647 7.118 2.099 1.00 0.00 H new ATOM 0 HA ALA A 13 42.555 6.180 3.280 1.00 0.00 H new ATOM 0 HB1 ALA A 13 41.862 8.560 3.768 1.00 0.00 H new ATOM 0 HB2 ALA A 13 43.630 8.360 3.806 1.00 0.00 H new ATOM 0 HB3 ALA A 13 42.848 9.098 2.388 1.00 0.00 H new ATOM 182 N SER A 14 40.761 5.664 1.658 1.00 0.00 N ATOM 183 CA SER A 14 39.434 5.368 1.098 1.00 0.00 C ATOM 184 C SER A 14 39.132 6.145 -0.188 1.00 0.00 C ATOM 185 O SER A 14 37.994 6.550 -0.423 1.00 0.00 O ATOM 186 CB SER A 14 38.359 5.646 2.153 1.00 0.00 C ATOM 187 OG SER A 14 38.620 4.921 3.346 1.00 0.00 O ATOM 0 H SER A 14 41.263 4.830 1.961 1.00 0.00 H new ATOM 0 HA SER A 14 39.430 4.313 0.825 1.00 0.00 H new ATOM 0 HB2 SER A 14 38.326 6.713 2.371 1.00 0.00 H new ATOM 0 HB3 SER A 14 37.380 5.370 1.762 1.00 0.00 H new ATOM 0 HG SER A 14 37.922 5.115 4.006 1.00 0.00 H new ATOM 193 N GLY A 15 40.138 6.318 -1.031 1.00 0.00 N ATOM 194 CA GLY A 15 39.938 7.054 -2.261 1.00 0.00 C ATOM 195 C GLY A 15 40.899 6.642 -3.352 1.00 0.00 C ATOM 196 O GLY A 15 40.497 6.404 -4.489 1.00 0.00 O ATOM 0 H GLY A 15 41.084 5.964 -0.887 1.00 0.00 H new ATOM 0 HA2 GLY A 15 38.916 6.903 -2.607 1.00 0.00 H new ATOM 0 HA3 GLY A 15 40.054 8.120 -2.064 1.00 0.00 H new ATOM 200 N ARG A 16 42.177 6.565 -3.015 1.00 0.00 N ATOM 201 CA ARG A 16 43.195 6.219 -3.995 1.00 0.00 C ATOM 202 C ARG A 16 43.418 4.712 -4.011 1.00 0.00 C ATOM 203 O ARG A 16 42.911 3.996 -3.151 1.00 0.00 O ATOM 204 CB ARG A 16 44.511 6.956 -3.709 1.00 0.00 C ATOM 205 CG ARG A 16 44.433 8.473 -3.863 1.00 0.00 C ATOM 206 CD ARG A 16 43.718 9.138 -2.690 1.00 0.00 C ATOM 207 NE ARG A 16 43.580 10.582 -2.875 1.00 0.00 N ATOM 208 CZ ARG A 16 43.961 11.493 -1.977 1.00 0.00 C ATOM 209 NH1 ARG A 16 44.555 11.115 -0.848 1.00 0.00 N ATOM 210 NH2 ARG A 16 43.761 12.785 -2.220 1.00 0.00 N ATOM 0 H ARG A 16 42.533 6.737 -2.075 1.00 0.00 H new ATOM 0 HA ARG A 16 42.843 6.533 -4.978 1.00 0.00 H new ATOM 0 HB2 ARG A 16 44.830 6.722 -2.693 1.00 0.00 H new ATOM 0 HB3 ARG A 16 45.280 6.574 -4.381 1.00 0.00 H new ATOM 0 HG2 ARG A 16 45.441 8.880 -3.949 1.00 0.00 H new ATOM 0 HG3 ARG A 16 43.911 8.716 -4.789 1.00 0.00 H new ATOM 0 HD2 ARG A 16 42.730 8.693 -2.569 1.00 0.00 H new ATOM 0 HD3 ARG A 16 44.271 8.942 -1.771 1.00 0.00 H new ATOM 0 HE ARG A 16 43.166 10.914 -3.746 1.00 0.00 H new ATOM 0 HH11 ARG A 16 44.721 10.125 -0.666 1.00 0.00 H new ATOM 0 HH12 ARG A 16 44.844 11.815 -0.165 1.00 0.00 H new ATOM 0 HH21 ARG A 16 43.317 13.077 -3.091 1.00 0.00 H new ATOM 0 HH22 ARG A 16 44.051 13.484 -1.536 1.00 0.00 H new ATOM 224 N CYS A 17 44.184 4.240 -4.980 1.00 0.00 N ATOM 225 CA CYS A 17 44.430 2.815 -5.138 1.00 0.00 C ATOM 226 C CYS A 17 45.857 2.605 -5.642 1.00 0.00 C ATOM 227 O CYS A 17 46.176 2.908 -6.793 1.00 0.00 O ATOM 228 CB CYS A 17 43.399 2.221 -6.107 1.00 0.00 C ATOM 229 SG CYS A 17 43.253 0.399 -6.078 1.00 0.00 S ATOM 0 H CYS A 17 44.649 4.826 -5.673 1.00 0.00 H new ATOM 0 HA CYS A 17 44.326 2.304 -4.181 1.00 0.00 H new ATOM 0 HB2 CYS A 17 42.423 2.650 -5.880 1.00 0.00 H new ATOM 0 HB3 CYS A 17 43.656 2.532 -7.120 1.00 0.00 H new ATOM 234 N ILE A 18 46.713 2.128 -4.752 1.00 0.00 N ATOM 235 CA ILE A 18 48.137 1.996 -5.019 1.00 0.00 C ATOM 236 C ILE A 18 48.549 0.533 -4.856 1.00 0.00 C ATOM 237 O ILE A 18 47.883 -0.210 -4.154 1.00 0.00 O ATOM 238 CB ILE A 18 48.951 2.902 -4.049 1.00 0.00 C ATOM 239 CG1 ILE A 18 48.882 2.396 -2.608 1.00 0.00 C ATOM 240 CG2 ILE A 18 48.411 4.318 -4.078 1.00 0.00 C ATOM 241 CD1 ILE A 18 50.013 1.479 -2.212 1.00 0.00 C ATOM 0 H ILE A 18 46.438 1.820 -3.819 1.00 0.00 H new ATOM 0 HA ILE A 18 48.346 2.314 -6.040 1.00 0.00 H new ATOM 0 HB ILE A 18 49.987 2.878 -4.386 1.00 0.00 H new ATOM 0 HG12 ILE A 18 48.874 3.254 -1.935 1.00 0.00 H new ATOM 0 HG13 ILE A 18 47.938 1.870 -2.466 1.00 0.00 H new ATOM 0 HG21 ILE A 18 48.988 4.942 -3.396 1.00 0.00 H new ATOM 0 HG22 ILE A 18 48.490 4.717 -5.089 1.00 0.00 H new ATOM 0 HG23 ILE A 18 47.365 4.315 -3.770 1.00 0.00 H new ATOM 0 HD11 ILE A 18 49.884 1.169 -1.175 1.00 0.00 H new ATOM 0 HD12 ILE A 18 50.012 0.600 -2.857 1.00 0.00 H new ATOM 0 HD13 ILE A 18 50.962 2.005 -2.318 1.00 0.00 H new ATOM 253 N PRO A 19 49.623 0.080 -5.509 1.00 0.00 N ATOM 254 CA PRO A 19 50.089 -1.298 -5.361 1.00 0.00 C ATOM 255 C PRO A 19 50.853 -1.519 -4.057 1.00 0.00 C ATOM 256 O PRO A 19 51.563 -0.635 -3.587 1.00 0.00 O ATOM 257 CB PRO A 19 51.010 -1.492 -6.562 1.00 0.00 C ATOM 258 CG PRO A 19 51.514 -0.127 -6.892 1.00 0.00 C ATOM 259 CD PRO A 19 50.451 0.852 -6.448 1.00 0.00 C ATOM 0 HA PRO A 19 49.261 -2.006 -5.325 1.00 0.00 H new ATOM 0 HB2 PRO A 19 51.831 -2.168 -6.324 1.00 0.00 H new ATOM 0 HB3 PRO A 19 50.473 -1.928 -7.404 1.00 0.00 H new ATOM 0 HG2 PRO A 19 52.457 0.070 -6.383 1.00 0.00 H new ATOM 0 HG3 PRO A 19 51.703 -0.033 -7.961 1.00 0.00 H new ATOM 0 HD2 PRO A 19 50.890 1.726 -5.967 1.00 0.00 H new ATOM 0 HD3 PRO A 19 49.864 1.214 -7.292 1.00 0.00 H new ATOM 267 N ILE A 20 50.702 -2.706 -3.483 1.00 0.00 N ATOM 268 CA ILE A 20 51.403 -3.074 -2.251 1.00 0.00 C ATOM 269 C ILE A 20 52.925 -2.905 -2.407 1.00 0.00 C ATOM 270 O ILE A 20 53.430 -2.917 -3.530 1.00 0.00 O ATOM 271 CB ILE A 20 51.040 -4.528 -1.860 1.00 0.00 C ATOM 272 CG1 ILE A 20 49.615 -4.583 -1.302 1.00 0.00 C ATOM 273 CG2 ILE A 20 52.020 -5.137 -0.867 1.00 0.00 C ATOM 274 CD1 ILE A 20 49.423 -3.761 -0.043 1.00 0.00 C ATOM 0 H ILE A 20 50.096 -3.439 -3.852 1.00 0.00 H new ATOM 0 HA ILE A 20 51.084 -2.405 -1.452 1.00 0.00 H new ATOM 0 HB ILE A 20 51.102 -5.126 -2.769 1.00 0.00 H new ATOM 0 HG12 ILE A 20 48.921 -4.230 -2.065 1.00 0.00 H new ATOM 0 HG13 ILE A 20 49.356 -5.621 -1.091 1.00 0.00 H new ATOM 0 HG21 ILE A 20 51.713 -6.156 -0.631 1.00 0.00 H new ATOM 0 HG22 ILE A 20 53.019 -5.150 -1.303 1.00 0.00 H new ATOM 0 HG23 ILE A 20 52.031 -4.541 0.046 1.00 0.00 H new ATOM 0 HD11 ILE A 20 48.390 -3.848 0.294 1.00 0.00 H new ATOM 0 HD12 ILE A 20 50.091 -4.127 0.736 1.00 0.00 H new ATOM 0 HD13 ILE A 20 49.649 -2.716 -0.253 1.00 0.00 H new ATOM 286 N SER A 21 53.617 -2.734 -1.260 1.00 0.00 N ATOM 287 CA SER A 21 55.067 -2.462 -1.182 1.00 0.00 C ATOM 288 C SER A 21 55.305 -0.962 -1.096 1.00 0.00 C ATOM 289 O SER A 21 56.391 -0.507 -0.743 1.00 0.00 O ATOM 290 CB SER A 21 55.855 -3.075 -2.361 1.00 0.00 C ATOM 291 OG SER A 21 57.255 -2.906 -2.204 1.00 0.00 O ATOM 0 H SER A 21 53.173 -2.782 -0.343 1.00 0.00 H new ATOM 0 HA SER A 21 55.442 -2.944 -0.279 1.00 0.00 H new ATOM 0 HB2 SER A 21 55.624 -4.137 -2.439 1.00 0.00 H new ATOM 0 HB3 SER A 21 55.535 -2.609 -3.293 1.00 0.00 H new ATOM 0 HG SER A 21 57.620 -3.657 -1.691 1.00 0.00 H new ATOM 297 N TRP A 22 54.257 -0.204 -1.372 1.00 0.00 N ATOM 298 CA TRP A 22 54.364 1.257 -1.426 1.00 0.00 C ATOM 299 C TRP A 22 53.917 1.905 -0.115 1.00 0.00 C ATOM 300 O TRP A 22 53.969 3.122 0.052 1.00 0.00 O ATOM 301 CB TRP A 22 53.526 1.800 -2.582 1.00 0.00 C ATOM 302 CG TRP A 22 54.037 1.431 -3.945 1.00 0.00 C ATOM 303 CD1 TRP A 22 54.470 0.205 -4.359 1.00 0.00 C ATOM 304 CD2 TRP A 22 54.142 2.293 -5.079 1.00 0.00 C ATOM 305 NE1 TRP A 22 54.857 0.258 -5.675 1.00 0.00 N ATOM 306 CE2 TRP A 22 54.663 1.530 -6.139 1.00 0.00 C ATOM 307 CE3 TRP A 22 53.849 3.641 -5.298 1.00 0.00 C ATOM 308 CZ2 TRP A 22 54.899 2.071 -7.401 1.00 0.00 C ATOM 309 CZ3 TRP A 22 54.084 4.176 -6.551 1.00 0.00 C ATOM 310 CH2 TRP A 22 54.603 3.393 -7.587 1.00 0.00 C ATOM 0 H TRP A 22 53.323 -0.567 -1.562 1.00 0.00 H new ATOM 0 HA TRP A 22 55.413 1.507 -1.584 1.00 0.00 H new ATOM 0 HB2 TRP A 22 52.505 1.433 -2.478 1.00 0.00 H new ATOM 0 HB3 TRP A 22 53.483 2.886 -2.505 1.00 0.00 H new ATOM 0 HD1 TRP A 22 54.503 -0.680 -3.740 1.00 0.00 H new ATOM 0 HE1 TRP A 22 55.228 -0.522 -6.217 1.00 0.00 H new ATOM 0 HE3 TRP A 22 53.447 4.253 -4.504 1.00 0.00 H new ATOM 0 HZ2 TRP A 22 55.301 1.469 -8.202 1.00 0.00 H new ATOM 0 HZ3 TRP A 22 53.863 5.217 -6.733 1.00 0.00 H new ATOM 0 HH2 TRP A 22 54.774 3.842 -8.554 1.00 0.00 H new ATOM 321 N THR A 23 53.459 1.092 0.815 1.00 0.00 N ATOM 322 CA THR A 23 53.011 1.610 2.088 1.00 0.00 C ATOM 323 C THR A 23 54.190 1.943 3.009 1.00 0.00 C ATOM 324 O THR A 23 54.281 3.028 3.568 1.00 0.00 O ATOM 325 CB THR A 23 52.075 0.596 2.781 1.00 0.00 C ATOM 326 OG1 THR A 23 52.797 -0.600 3.114 1.00 0.00 O ATOM 327 CG2 THR A 23 50.908 0.227 1.878 1.00 0.00 C ATOM 0 H THR A 23 53.388 0.080 0.714 1.00 0.00 H new ATOM 0 HA THR A 23 52.464 2.532 1.893 1.00 0.00 H new ATOM 0 HB THR A 23 51.693 1.064 3.688 1.00 0.00 H new ATOM 0 HG1 THR A 23 52.194 -1.234 3.554 1.00 0.00 H new ATOM 0 HG21 THR A 23 50.264 -0.488 2.390 1.00 0.00 H new ATOM 0 HG22 THR A 23 50.336 1.123 1.638 1.00 0.00 H new ATOM 0 HG23 THR A 23 51.286 -0.219 0.958 1.00 0.00 H new ATOM 335 N CYS A 24 55.079 0.985 3.169 1.00 0.00 N ATOM 336 CA CYS A 24 56.134 1.064 4.168 1.00 0.00 C ATOM 337 C CYS A 24 57.459 1.625 3.618 1.00 0.00 C ATOM 338 O CYS A 24 58.526 1.359 4.178 1.00 0.00 O ATOM 339 CB CYS A 24 56.342 -0.324 4.776 1.00 0.00 C ATOM 340 SG CYS A 24 57.397 -0.347 6.256 1.00 0.00 S ATOM 0 H CYS A 24 55.094 0.130 2.613 1.00 0.00 H new ATOM 0 HA CYS A 24 55.813 1.771 4.933 1.00 0.00 H new ATOM 0 HB2 CYS A 24 55.369 -0.744 5.032 1.00 0.00 H new ATOM 0 HB3 CYS A 24 56.782 -0.975 4.021 1.00 0.00 H new ATOM 345 N ASP A 25 57.414 2.399 2.545 1.00 0.00 N ATOM 346 CA ASP A 25 58.649 2.918 1.954 1.00 0.00 C ATOM 347 C ASP A 25 58.768 4.434 2.119 1.00 0.00 C ATOM 348 O ASP A 25 59.610 5.068 1.475 1.00 0.00 O ATOM 349 CB ASP A 25 58.786 2.503 0.480 1.00 0.00 C ATOM 350 CG ASP A 25 57.583 2.841 -0.377 1.00 0.00 C ATOM 351 OD1 ASP A 25 56.601 3.386 0.155 1.00 0.00 O ATOM 352 OD2 ASP A 25 57.625 2.531 -1.591 1.00 0.00 O ATOM 0 H ASP A 25 56.557 2.680 2.069 1.00 0.00 H new ATOM 0 HA ASP A 25 59.478 2.469 2.502 1.00 0.00 H new ATOM 0 HB2 ASP A 25 59.666 2.989 0.058 1.00 0.00 H new ATOM 0 HB3 ASP A 25 58.961 1.428 0.432 1.00 0.00 H new ATOM 357 N LEU A 26 57.946 4.987 3.016 1.00 0.00 N ATOM 358 CA LEU A 26 58.017 6.388 3.430 1.00 0.00 C ATOM 359 C LEU A 26 57.408 7.326 2.394 1.00 0.00 C ATOM 360 O LEU A 26 58.057 7.689 1.406 1.00 0.00 O ATOM 361 CB LEU A 26 59.451 6.842 3.780 1.00 0.00 C ATOM 362 CG LEU A 26 60.036 6.301 5.094 1.00 0.00 C ATOM 363 CD1 LEU A 26 60.755 4.987 4.865 1.00 0.00 C ATOM 364 CD2 LEU A 26 60.981 7.318 5.710 1.00 0.00 C ATOM 0 H LEU A 26 57.203 4.465 3.480 1.00 0.00 H new ATOM 0 HA LEU A 26 57.422 6.448 4.341 1.00 0.00 H new ATOM 0 HB2 LEU A 26 60.112 6.547 2.965 1.00 0.00 H new ATOM 0 HB3 LEU A 26 59.464 7.931 3.823 1.00 0.00 H new ATOM 0 HG LEU A 26 59.212 6.123 5.785 1.00 0.00 H new ATOM 0 HD11 LEU A 26 61.160 4.625 5.810 1.00 0.00 H new ATOM 0 HD12 LEU A 26 60.054 4.254 4.465 1.00 0.00 H new ATOM 0 HD13 LEU A 26 61.568 5.136 4.155 1.00 0.00 H new ATOM 0 HD21 LEU A 26 61.387 6.920 6.640 1.00 0.00 H new ATOM 0 HD22 LEU A 26 61.796 7.524 5.016 1.00 0.00 H new ATOM 0 HD23 LEU A 26 60.438 8.241 5.916 1.00 0.00 H new ATOM 376 N ASP A 27 56.151 7.692 2.645 1.00 0.00 N ATOM 377 CA ASP A 27 55.467 8.780 1.936 1.00 0.00 C ATOM 378 C ASP A 27 54.952 8.358 0.552 1.00 0.00 C ATOM 379 O ASP A 27 54.899 7.171 0.239 1.00 0.00 O ATOM 380 CB ASP A 27 56.389 10.000 1.845 1.00 0.00 C ATOM 381 CG ASP A 27 55.629 11.306 1.694 1.00 0.00 C ATOM 382 OD1 ASP A 27 55.119 11.820 2.713 1.00 0.00 O ATOM 383 OD2 ASP A 27 55.542 11.819 0.559 1.00 0.00 O ATOM 0 H ASP A 27 55.572 7.239 3.352 1.00 0.00 H new ATOM 0 HA ASP A 27 54.581 9.046 2.513 1.00 0.00 H new ATOM 0 HB2 ASP A 27 57.009 10.048 2.740 1.00 0.00 H new ATOM 0 HB3 ASP A 27 57.063 9.877 0.997 1.00 0.00 H new ATOM 388 N ASP A 28 54.539 9.358 -0.246 1.00 0.00 N ATOM 389 CA ASP A 28 53.888 9.168 -1.557 1.00 0.00 C ATOM 390 C ASP A 28 52.503 8.531 -1.406 1.00 0.00 C ATOM 391 O ASP A 28 51.511 9.051 -1.929 1.00 0.00 O ATOM 392 CB ASP A 28 54.758 8.355 -2.525 1.00 0.00 C ATOM 393 CG ASP A 28 54.224 8.405 -3.950 1.00 0.00 C ATOM 394 OD1 ASP A 28 54.405 9.451 -4.618 1.00 0.00 O ATOM 395 OD2 ASP A 28 53.635 7.406 -4.408 1.00 0.00 O ATOM 0 H ASP A 28 54.650 10.340 0.006 1.00 0.00 H new ATOM 0 HA ASP A 28 53.762 10.161 -1.990 1.00 0.00 H new ATOM 0 HB2 ASP A 28 55.778 8.739 -2.506 1.00 0.00 H new ATOM 0 HB3 ASP A 28 54.802 7.319 -2.190 1.00 0.00 H new ATOM 400 N ASP A 29 52.440 7.424 -0.681 1.00 0.00 N ATOM 401 CA ASP A 29 51.180 6.771 -0.358 1.00 0.00 C ATOM 402 C ASP A 29 50.445 7.594 0.704 1.00 0.00 C ATOM 403 O ASP A 29 50.973 8.602 1.180 1.00 0.00 O ATOM 404 CB ASP A 29 51.463 5.360 0.154 1.00 0.00 C ATOM 405 CG ASP A 29 50.278 4.423 0.035 1.00 0.00 C ATOM 406 OD1 ASP A 29 49.143 4.897 -0.250 1.00 0.00 O ATOM 407 OD2 ASP A 29 50.482 3.201 0.212 1.00 0.00 O ATOM 0 H ASP A 29 53.261 6.953 -0.300 1.00 0.00 H new ATOM 0 HA ASP A 29 50.551 6.702 -1.246 1.00 0.00 H new ATOM 0 HB2 ASP A 29 52.303 4.943 -0.401 1.00 0.00 H new ATOM 0 HB3 ASP A 29 51.768 5.416 1.199 1.00 0.00 H new ATOM 412 N CYS A 30 49.241 7.186 1.087 1.00 0.00 N ATOM 413 CA CYS A 30 48.467 7.971 2.043 1.00 0.00 C ATOM 414 C CYS A 30 47.244 7.243 2.590 1.00 0.00 C ATOM 415 O CYS A 30 46.167 7.832 2.725 1.00 0.00 O ATOM 416 CB CYS A 30 48.048 9.290 1.408 1.00 0.00 C ATOM 417 SG CYS A 30 47.433 9.150 -0.314 1.00 0.00 S ATOM 0 H CYS A 30 48.786 6.334 0.759 1.00 0.00 H new ATOM 0 HA CYS A 30 49.121 8.149 2.896 1.00 0.00 H new ATOM 0 HB2 CYS A 30 47.269 9.742 2.022 1.00 0.00 H new ATOM 0 HB3 CYS A 30 48.899 9.971 1.421 1.00 0.00 H new ATOM 422 N GLY A 31 47.406 5.983 2.934 1.00 0.00 N ATOM 423 CA GLY A 31 46.347 5.263 3.605 1.00 0.00 C ATOM 424 C GLY A 31 46.142 5.791 5.009 1.00 0.00 C ATOM 425 O GLY A 31 45.018 6.089 5.413 1.00 0.00 O ATOM 0 H GLY A 31 48.253 5.441 2.762 1.00 0.00 H new ATOM 0 HA2 GLY A 31 45.421 5.357 3.038 1.00 0.00 H new ATOM 0 HA3 GLY A 31 46.591 4.201 3.643 1.00 0.00 H new ATOM 429 N ASP A 32 47.242 5.920 5.746 1.00 0.00 N ATOM 430 CA ASP A 32 47.224 6.556 7.060 1.00 0.00 C ATOM 431 C ASP A 32 47.469 8.050 6.897 1.00 0.00 C ATOM 432 O ASP A 32 46.674 8.888 7.321 1.00 0.00 O ATOM 433 CB ASP A 32 48.305 5.932 7.954 1.00 0.00 C ATOM 434 CG ASP A 32 48.686 6.796 9.147 1.00 0.00 C ATOM 435 OD1 ASP A 32 49.579 7.652 8.998 1.00 0.00 O ATOM 436 OD2 ASP A 32 48.122 6.609 10.244 1.00 0.00 O ATOM 0 H ASP A 32 48.162 5.590 5.453 1.00 0.00 H new ATOM 0 HA ASP A 32 46.253 6.402 7.530 1.00 0.00 H new ATOM 0 HB2 ASP A 32 47.953 4.966 8.314 1.00 0.00 H new ATOM 0 HB3 ASP A 32 49.195 5.743 7.354 1.00 0.00 H new ATOM 441 N ARG A 33 48.577 8.352 6.243 1.00 0.00 N ATOM 442 CA ARG A 33 49.005 9.712 5.953 1.00 0.00 C ATOM 443 C ARG A 33 50.050 9.636 4.865 1.00 0.00 C ATOM 444 O ARG A 33 49.878 10.183 3.781 1.00 0.00 O ATOM 445 CB ARG A 33 49.581 10.396 7.196 1.00 0.00 C ATOM 446 CG ARG A 33 48.549 11.161 8.001 1.00 0.00 C ATOM 447 CD ARG A 33 48.950 11.264 9.459 1.00 0.00 C ATOM 448 NE ARG A 33 48.856 9.968 10.133 1.00 0.00 N ATOM 449 CZ ARG A 33 48.622 9.813 11.435 1.00 0.00 C ATOM 450 NH1 ARG A 33 48.566 10.872 12.233 1.00 0.00 N ATOM 451 NH2 ARG A 33 48.452 8.600 11.940 1.00 0.00 N ATOM 0 H ARG A 33 49.220 7.643 5.890 1.00 0.00 H new ATOM 0 HA ARG A 33 48.150 10.307 5.632 1.00 0.00 H new ATOM 0 HB2 ARG A 33 50.042 9.642 7.835 1.00 0.00 H new ATOM 0 HB3 ARG A 33 50.372 11.081 6.890 1.00 0.00 H new ATOM 0 HG2 ARG A 33 48.428 12.161 7.584 1.00 0.00 H new ATOM 0 HG3 ARG A 33 47.582 10.664 7.922 1.00 0.00 H new ATOM 0 HD2 ARG A 33 49.971 11.640 9.531 1.00 0.00 H new ATOM 0 HD3 ARG A 33 48.308 11.986 9.964 1.00 0.00 H new ATOM 0 HE ARG A 33 48.978 9.128 9.568 1.00 0.00 H new ATOM 0 HH11 ARG A 33 48.702 11.807 11.850 1.00 0.00 H new ATOM 0 HH12 ARG A 33 48.387 10.751 13.230 1.00 0.00 H new ATOM 0 HH21 ARG A 33 48.500 7.783 11.331 1.00 0.00 H new ATOM 0 HH22 ARG A 33 48.273 8.483 12.937 1.00 0.00 H new ATOM 465 N SER A 34 51.130 8.942 5.185 1.00 0.00 N ATOM 466 CA SER A 34 52.093 8.504 4.192 1.00 0.00 C ATOM 467 C SER A 34 52.303 6.992 4.343 1.00 0.00 C ATOM 468 O SER A 34 53.042 6.373 3.585 1.00 0.00 O ATOM 469 CB SER A 34 53.404 9.281 4.347 1.00 0.00 C ATOM 470 OG SER A 34 53.182 10.687 4.297 1.00 0.00 O ATOM 0 H SER A 34 51.362 8.667 6.140 1.00 0.00 H new ATOM 0 HA SER A 34 51.719 8.705 3.188 1.00 0.00 H new ATOM 0 HB2 SER A 34 53.875 9.019 5.294 1.00 0.00 H new ATOM 0 HB3 SER A 34 54.096 8.992 3.556 1.00 0.00 H new ATOM 0 HG SER A 34 53.762 11.086 3.615 1.00 0.00 H new ATOM 476 N ASP A 35 51.585 6.426 5.330 1.00 0.00 N ATOM 477 CA ASP A 35 51.551 4.974 5.613 1.00 0.00 C ATOM 478 C ASP A 35 52.760 4.443 6.365 1.00 0.00 C ATOM 479 O ASP A 35 53.200 3.311 6.145 1.00 0.00 O ATOM 480 CB ASP A 35 51.334 4.163 4.350 1.00 0.00 C ATOM 481 CG ASP A 35 49.956 4.388 3.826 1.00 0.00 C ATOM 482 OD1 ASP A 35 49.000 3.840 4.419 1.00 0.00 O ATOM 483 OD2 ASP A 35 49.815 5.165 2.877 1.00 0.00 O ATOM 0 H ASP A 35 51.002 6.971 5.965 1.00 0.00 H new ATOM 0 HA ASP A 35 50.698 4.851 6.281 1.00 0.00 H new ATOM 0 HB2 ASP A 35 52.069 4.446 3.596 1.00 0.00 H new ATOM 0 HB3 ASP A 35 51.483 3.104 4.559 1.00 0.00 H new ATOM 488 N GLU A 36 53.207 5.194 7.345 1.00 0.00 N ATOM 489 CA GLU A 36 54.291 4.726 8.204 1.00 0.00 C ATOM 490 C GLU A 36 53.717 4.243 9.519 1.00 0.00 C ATOM 491 O GLU A 36 54.198 3.281 10.118 1.00 0.00 O ATOM 492 CB GLU A 36 55.313 5.837 8.475 1.00 0.00 C ATOM 493 CG GLU A 36 56.066 6.302 7.241 1.00 0.00 C ATOM 494 CD GLU A 36 55.169 6.944 6.217 1.00 0.00 C ATOM 495 OE1 GLU A 36 54.331 7.778 6.624 1.00 0.00 O ATOM 496 OE2 GLU A 36 55.274 6.590 5.019 1.00 0.00 O ATOM 0 H GLU A 36 52.848 6.121 7.572 1.00 0.00 H new ATOM 0 HA GLU A 36 54.802 3.911 7.691 1.00 0.00 H new ATOM 0 HB2 GLU A 36 54.798 6.690 8.916 1.00 0.00 H new ATOM 0 HB3 GLU A 36 56.032 5.482 9.214 1.00 0.00 H new ATOM 0 HG2 GLU A 36 56.837 7.013 7.538 1.00 0.00 H new ATOM 0 HG3 GLU A 36 56.574 5.450 6.789 1.00 0.00 H new ATOM 503 N SER A 37 52.657 4.886 9.928 1.00 0.00 N ATOM 504 CA SER A 37 51.944 4.511 11.129 1.00 0.00 C ATOM 505 C SER A 37 50.657 3.788 10.758 1.00 0.00 C ATOM 506 O SER A 37 50.040 4.108 9.752 1.00 0.00 O ATOM 507 CB SER A 37 51.647 5.751 11.973 1.00 0.00 C ATOM 508 OG SER A 37 51.286 6.851 11.154 1.00 0.00 O ATOM 0 H SER A 37 52.259 5.688 9.439 1.00 0.00 H new ATOM 0 HA SER A 37 52.563 3.837 11.721 1.00 0.00 H new ATOM 0 HB2 SER A 37 50.840 5.534 12.672 1.00 0.00 H new ATOM 0 HB3 SER A 37 52.523 6.008 12.568 1.00 0.00 H new ATOM 0 HG SER A 37 51.099 7.631 11.717 1.00 0.00 H new ATOM 514 N ALA A 38 50.311 2.765 11.538 1.00 0.00 N ATOM 515 CA ALA A 38 49.043 2.031 11.394 1.00 0.00 C ATOM 516 C ALA A 38 48.963 1.195 10.117 1.00 0.00 C ATOM 517 O ALA A 38 48.124 0.303 10.014 1.00 0.00 O ATOM 518 CB ALA A 38 47.845 2.972 11.502 1.00 0.00 C ATOM 0 H ALA A 38 50.901 2.416 12.293 1.00 0.00 H new ATOM 0 HA ALA A 38 49.012 1.325 12.224 1.00 0.00 H new ATOM 0 HB1 ALA A 38 46.923 2.401 11.392 1.00 0.00 H new ATOM 0 HB2 ALA A 38 47.854 3.462 12.475 1.00 0.00 H new ATOM 0 HB3 ALA A 38 47.902 3.725 10.716 1.00 0.00 H new ATOM 524 N SER A 39 49.841 1.454 9.167 1.00 0.00 N ATOM 525 CA SER A 39 49.896 0.650 7.963 1.00 0.00 C ATOM 526 C SER A 39 51.106 -0.265 8.029 1.00 0.00 C ATOM 527 O SER A 39 50.983 -1.484 7.924 1.00 0.00 O ATOM 528 CB SER A 39 49.976 1.549 6.727 1.00 0.00 C ATOM 529 OG SER A 39 48.950 2.525 6.745 1.00 0.00 O ATOM 0 H SER A 39 50.523 2.212 9.206 1.00 0.00 H new ATOM 0 HA SER A 39 48.991 0.048 7.888 1.00 0.00 H new ATOM 0 HB2 SER A 39 50.949 2.039 6.691 1.00 0.00 H new ATOM 0 HB3 SER A 39 49.891 0.943 5.825 1.00 0.00 H new ATOM 0 HG SER A 39 48.738 2.793 5.827 1.00 0.00 H new ATOM 535 N CYS A 40 52.279 0.324 8.193 1.00 0.00 N ATOM 536 CA CYS A 40 53.486 -0.469 8.375 1.00 0.00 C ATOM 537 C CYS A 40 53.803 -0.644 9.860 1.00 0.00 C ATOM 538 O CYS A 40 54.130 -1.743 10.303 1.00 0.00 O ATOM 539 CB CYS A 40 54.690 0.132 7.651 1.00 0.00 C ATOM 540 SG CYS A 40 56.169 -0.937 7.761 1.00 0.00 S ATOM 0 H CYS A 40 52.422 1.334 8.204 1.00 0.00 H new ATOM 0 HA CYS A 40 53.289 -1.446 7.933 1.00 0.00 H new ATOM 0 HB2 CYS A 40 54.438 0.293 6.603 1.00 0.00 H new ATOM 0 HB3 CYS A 40 54.918 1.109 8.078 1.00 0.00 H new ATOM 545 N ALA A 41 53.745 0.475 10.603 1.00 0.00 N ATOM 546 CA ALA A 41 54.052 0.518 12.044 1.00 0.00 C ATOM 547 C ALA A 41 55.561 0.460 12.297 1.00 0.00 C ATOM 548 O ALA A 41 56.022 0.698 13.411 1.00 0.00 O ATOM 549 CB ALA A 41 53.325 -0.585 12.810 1.00 0.00 C ATOM 0 H ALA A 41 53.482 1.382 10.218 1.00 0.00 H new ATOM 0 HA ALA A 41 53.687 1.474 12.420 1.00 0.00 H new ATOM 0 HB1 ALA A 41 53.577 -0.520 13.868 1.00 0.00 H new ATOM 0 HB2 ALA A 41 52.249 -0.466 12.685 1.00 0.00 H new ATOM 0 HB3 ALA A 41 53.630 -1.558 12.424 1.00 0.00 H new ATOM 555 N TYR A 42 56.308 0.154 11.239 1.00 0.00 N ATOM 556 CA TYR A 42 57.775 0.085 11.271 1.00 0.00 C ATOM 557 C TYR A 42 58.315 -0.801 12.400 1.00 0.00 C ATOM 558 O TYR A 42 59.065 -0.336 13.256 1.00 0.00 O ATOM 559 CB TYR A 42 58.393 1.494 11.344 1.00 0.00 C ATOM 560 CG TYR A 42 58.340 2.240 10.025 1.00 0.00 C ATOM 561 CD1 TYR A 42 57.650 1.706 8.952 1.00 0.00 C ATOM 562 CD2 TYR A 42 58.978 3.466 9.846 1.00 0.00 C ATOM 563 CE1 TYR A 42 57.586 2.362 7.744 1.00 0.00 C ATOM 564 CE2 TYR A 42 58.917 4.126 8.634 1.00 0.00 C ATOM 565 CZ TYR A 42 58.218 3.566 7.590 1.00 0.00 C ATOM 566 OH TYR A 42 58.154 4.211 6.384 1.00 0.00 O ATOM 0 H TYR A 42 55.912 -0.056 10.323 1.00 0.00 H new ATOM 0 HA TYR A 42 58.076 -0.386 10.335 1.00 0.00 H new ATOM 0 HB2 TYR A 42 57.869 2.074 12.103 1.00 0.00 H new ATOM 0 HB3 TYR A 42 59.431 1.412 11.666 1.00 0.00 H new ATOM 0 HD1 TYR A 42 57.151 0.755 9.064 1.00 0.00 H new ATOM 0 HD2 TYR A 42 59.527 3.906 10.665 1.00 0.00 H new ATOM 0 HE1 TYR A 42 57.039 1.928 6.920 1.00 0.00 H new ATOM 0 HE2 TYR A 42 59.415 5.076 8.507 1.00 0.00 H new ATOM 0 HH TYR A 42 57.423 3.835 5.850 1.00 0.00 H new ATOM 576 N PRO A 43 57.952 -2.100 12.416 1.00 0.00 N ATOM 577 CA PRO A 43 58.566 -3.067 13.321 1.00 0.00 C ATOM 578 C PRO A 43 59.912 -3.524 12.770 1.00 0.00 C ATOM 579 O PRO A 43 60.887 -3.688 13.499 1.00 0.00 O ATOM 580 CB PRO A 43 57.566 -4.238 13.351 1.00 0.00 C ATOM 581 CG PRO A 43 56.411 -3.826 12.490 1.00 0.00 C ATOM 582 CD PRO A 43 56.914 -2.729 11.594 1.00 0.00 C ATOM 0 HA PRO A 43 58.759 -2.657 14.312 1.00 0.00 H new ATOM 0 HB2 PRO A 43 58.026 -5.152 12.974 1.00 0.00 H new ATOM 0 HB3 PRO A 43 57.238 -4.443 14.370 1.00 0.00 H new ATOM 0 HG2 PRO A 43 56.045 -4.669 11.903 1.00 0.00 H new ATOM 0 HG3 PRO A 43 55.578 -3.477 13.100 1.00 0.00 H new ATOM 0 HD2 PRO A 43 57.317 -3.121 10.660 1.00 0.00 H new ATOM 0 HD3 PRO A 43 56.124 -2.026 11.330 1.00 0.00 H new ATOM 590 N THR A 44 59.936 -3.726 11.461 1.00 0.00 N ATOM 591 CA THR A 44 61.151 -4.071 10.742 1.00 0.00 C ATOM 592 C THR A 44 61.083 -3.488 9.331 1.00 0.00 C ATOM 593 O THR A 44 61.896 -3.810 8.465 1.00 0.00 O ATOM 594 CB THR A 44 61.352 -5.605 10.680 1.00 0.00 C ATOM 595 OG1 THR A 44 62.592 -5.921 10.035 1.00 0.00 O ATOM 596 CG2 THR A 44 60.205 -6.279 9.937 1.00 0.00 C ATOM 0 H THR A 44 59.110 -3.655 10.867 1.00 0.00 H new ATOM 0 HA THR A 44 62.003 -3.649 11.274 1.00 0.00 H new ATOM 0 HB THR A 44 61.372 -5.979 11.704 1.00 0.00 H new ATOM 0 HG1 THR A 44 62.728 -5.319 9.274 1.00 0.00 H new ATOM 0 HG21 THR A 44 60.373 -7.356 9.909 1.00 0.00 H new ATOM 0 HG22 THR A 44 59.267 -6.071 10.451 1.00 0.00 H new ATOM 0 HG23 THR A 44 60.154 -5.893 8.919 1.00 0.00 H new ATOM 604 N CYS A 45 60.099 -2.604 9.130 1.00 0.00 N ATOM 605 CA CYS A 45 59.838 -1.975 7.835 1.00 0.00 C ATOM 606 C CYS A 45 59.512 -2.987 6.742 1.00 0.00 C ATOM 607 O CYS A 45 59.642 -2.685 5.565 1.00 0.00 O ATOM 608 CB CYS A 45 61.011 -1.101 7.403 1.00 0.00 C ATOM 609 SG CYS A 45 61.206 0.405 8.407 1.00 0.00 S ATOM 0 H CYS A 45 59.460 -2.305 9.866 1.00 0.00 H new ATOM 0 HA CYS A 45 58.956 -1.349 7.973 1.00 0.00 H new ATOM 0 HB2 CYS A 45 61.929 -1.686 7.459 1.00 0.00 H new ATOM 0 HB3 CYS A 45 60.877 -0.817 6.359 1.00 0.00 H new ATOM 614 N PHE A 46 59.066 -4.175 7.125 1.00 0.00 N ATOM 615 CA PHE A 46 58.603 -5.149 6.150 1.00 0.00 C ATOM 616 C PHE A 46 57.331 -5.825 6.630 1.00 0.00 C ATOM 617 O PHE A 46 57.374 -6.805 7.372 1.00 0.00 O ATOM 618 CB PHE A 46 59.696 -6.183 5.821 1.00 0.00 C ATOM 619 CG PHE A 46 59.223 -7.418 5.084 1.00 0.00 C ATOM 620 CD1 PHE A 46 58.109 -7.398 4.247 1.00 0.00 C ATOM 621 CD2 PHE A 46 59.913 -8.608 5.233 1.00 0.00 C ATOM 622 CE1 PHE A 46 57.698 -8.545 3.593 1.00 0.00 C ATOM 623 CE2 PHE A 46 59.506 -9.753 4.579 1.00 0.00 C ATOM 624 CZ PHE A 46 58.399 -9.721 3.756 1.00 0.00 C ATOM 0 H PHE A 46 59.015 -4.485 8.095 1.00 0.00 H new ATOM 0 HA PHE A 46 58.376 -4.616 5.227 1.00 0.00 H new ATOM 0 HB2 PHE A 46 60.465 -5.695 5.221 1.00 0.00 H new ATOM 0 HB3 PHE A 46 60.169 -6.495 6.752 1.00 0.00 H new ATOM 0 HD1 PHE A 46 57.561 -6.478 4.108 1.00 0.00 H new ATOM 0 HD2 PHE A 46 60.784 -8.641 5.871 1.00 0.00 H new ATOM 0 HE1 PHE A 46 56.828 -8.520 2.954 1.00 0.00 H new ATOM 0 HE2 PHE A 46 60.054 -10.674 4.711 1.00 0.00 H new ATOM 0 HZ PHE A 46 58.082 -10.616 3.240 1.00 0.00 H new ATOM 634 N PRO A 47 56.179 -5.253 6.269 1.00 0.00 N ATOM 635 CA PRO A 47 54.907 -5.939 6.366 1.00 0.00 C ATOM 636 C PRO A 47 54.538 -6.620 5.052 1.00 0.00 C ATOM 637 O PRO A 47 53.933 -7.691 5.038 1.00 0.00 O ATOM 638 CB PRO A 47 53.941 -4.800 6.682 1.00 0.00 C ATOM 639 CG PRO A 47 54.540 -3.583 6.038 1.00 0.00 C ATOM 640 CD PRO A 47 56.011 -3.862 5.815 1.00 0.00 C ATOM 0 HA PRO A 47 54.903 -6.736 7.110 1.00 0.00 H new ATOM 0 HB2 PRO A 47 52.947 -5.006 6.285 1.00 0.00 H new ATOM 0 HB3 PRO A 47 53.833 -4.663 7.758 1.00 0.00 H new ATOM 0 HG2 PRO A 47 54.043 -3.366 5.092 1.00 0.00 H new ATOM 0 HG3 PRO A 47 54.408 -2.708 6.675 1.00 0.00 H new ATOM 0 HD2 PRO A 47 56.285 -3.748 4.766 1.00 0.00 H new ATOM 0 HD3 PRO A 47 56.639 -3.177 6.385 1.00 0.00 H new ATOM 648 N LEU A 48 54.951 -5.998 3.952 1.00 0.00 N ATOM 649 CA LEU A 48 54.568 -6.426 2.611 1.00 0.00 C ATOM 650 C LEU A 48 55.603 -6.011 1.575 1.00 0.00 C ATOM 651 O LEU A 48 55.551 -4.891 1.071 1.00 0.00 O ATOM 652 CB LEU A 48 53.219 -5.813 2.236 1.00 0.00 C ATOM 653 CG LEU A 48 52.053 -6.299 3.089 1.00 0.00 C ATOM 654 CD1 LEU A 48 50.874 -5.344 2.990 1.00 0.00 C ATOM 655 CD2 LEU A 48 51.638 -7.704 2.669 1.00 0.00 C ATOM 0 H LEU A 48 55.562 -5.181 3.966 1.00 0.00 H new ATOM 0 HA LEU A 48 54.501 -7.514 2.619 1.00 0.00 H new ATOM 0 HB2 LEU A 48 53.289 -4.729 2.321 1.00 0.00 H new ATOM 0 HB3 LEU A 48 53.008 -6.038 1.191 1.00 0.00 H new ATOM 0 HG LEU A 48 52.379 -6.328 4.129 1.00 0.00 H new ATOM 0 HD11 LEU A 48 50.055 -5.712 3.607 1.00 0.00 H new ATOM 0 HD12 LEU A 48 51.176 -4.356 3.339 1.00 0.00 H new ATOM 0 HD13 LEU A 48 50.546 -5.278 1.953 1.00 0.00 H new ATOM 0 HD21 LEU A 48 50.804 -8.037 3.287 1.00 0.00 H new ATOM 0 HD22 LEU A 48 51.333 -7.696 1.623 1.00 0.00 H new ATOM 0 HD23 LEU A 48 52.479 -8.385 2.796 1.00 0.00 H new ATOM 667 N THR A 49 56.553 -6.909 1.300 1.00 0.00 N ATOM 668 CA THR A 49 57.539 -6.739 0.230 1.00 0.00 C ATOM 669 C THR A 49 58.287 -5.416 0.351 1.00 0.00 C ATOM 670 O THR A 49 57.886 -4.399 -0.204 1.00 0.00 O ATOM 671 CB THR A 49 56.912 -6.879 -1.178 1.00 0.00 C ATOM 672 OG1 THR A 49 55.692 -6.138 -1.268 1.00 0.00 O ATOM 673 CG2 THR A 49 56.649 -8.341 -1.507 1.00 0.00 C ATOM 0 H THR A 49 56.660 -7.781 1.818 1.00 0.00 H new ATOM 0 HA THR A 49 58.258 -7.549 0.352 1.00 0.00 H new ATOM 0 HB THR A 49 57.622 -6.476 -1.900 1.00 0.00 H new ATOM 0 HG1 THR A 49 55.720 -5.384 -0.643 1.00 0.00 H new ATOM 0 HG21 THR A 49 56.208 -8.417 -2.501 1.00 0.00 H new ATOM 0 HG22 THR A 49 57.588 -8.894 -1.483 1.00 0.00 H new ATOM 0 HG23 THR A 49 55.962 -8.761 -0.773 1.00 0.00 H new ATOM 681 N GLN A 50 59.375 -5.443 1.097 1.00 0.00 N ATOM 682 CA GLN A 50 60.130 -4.239 1.406 1.00 0.00 C ATOM 683 C GLN A 50 61.621 -4.541 1.452 1.00 0.00 C ATOM 684 O GLN A 50 62.031 -5.703 1.412 1.00 0.00 O ATOM 685 CB GLN A 50 59.708 -3.694 2.771 1.00 0.00 C ATOM 686 CG GLN A 50 58.222 -3.407 2.921 1.00 0.00 C ATOM 687 CD GLN A 50 57.789 -2.117 2.252 1.00 0.00 C ATOM 688 OE1 GLN A 50 56.646 -1.992 1.820 1.00 0.00 O ATOM 689 NE2 GLN A 50 58.686 -1.144 2.184 1.00 0.00 N ATOM 0 H GLN A 50 59.761 -6.295 1.505 1.00 0.00 H new ATOM 0 HA GLN A 50 59.928 -3.504 0.627 1.00 0.00 H new ATOM 0 HB2 GLN A 50 60.003 -4.411 3.538 1.00 0.00 H new ATOM 0 HB3 GLN A 50 60.261 -2.775 2.964 1.00 0.00 H new ATOM 0 HG2 GLN A 50 57.655 -4.236 2.498 1.00 0.00 H new ATOM 0 HG3 GLN A 50 57.974 -3.359 3.981 1.00 0.00 H new ATOM 0 HE21 GLN A 50 59.625 -1.289 2.555 1.00 0.00 H new ATOM 0 HE22 GLN A 50 58.437 -0.250 1.761 1.00 0.00 H new ATOM 698 N PHE A 51 62.418 -3.493 1.527 1.00 0.00 N ATOM 699 CA PHE A 51 63.836 -3.624 1.825 1.00 0.00 C ATOM 700 C PHE A 51 64.263 -2.486 2.746 1.00 0.00 C ATOM 701 O PHE A 51 63.636 -1.430 2.766 1.00 0.00 O ATOM 702 CB PHE A 51 64.682 -3.616 0.543 1.00 0.00 C ATOM 703 CG PHE A 51 66.134 -3.940 0.788 1.00 0.00 C ATOM 704 CD1 PHE A 51 66.505 -5.208 1.201 1.00 0.00 C ATOM 705 CD2 PHE A 51 67.122 -2.978 0.624 1.00 0.00 C ATOM 706 CE1 PHE A 51 67.830 -5.511 1.449 1.00 0.00 C ATOM 707 CE2 PHE A 51 68.445 -3.274 0.873 1.00 0.00 C ATOM 708 CZ PHE A 51 68.800 -4.543 1.284 1.00 0.00 C ATOM 0 H PHE A 51 62.107 -2.532 1.385 1.00 0.00 H new ATOM 0 HA PHE A 51 64.000 -4.581 2.320 1.00 0.00 H new ATOM 0 HB2 PHE A 51 64.269 -4.338 -0.162 1.00 0.00 H new ATOM 0 HB3 PHE A 51 64.609 -2.635 0.074 1.00 0.00 H new ATOM 0 HD1 PHE A 51 65.750 -5.969 1.331 1.00 0.00 H new ATOM 0 HD2 PHE A 51 66.850 -1.985 0.297 1.00 0.00 H new ATOM 0 HE1 PHE A 51 68.106 -6.504 1.772 1.00 0.00 H new ATOM 0 HE2 PHE A 51 69.202 -2.514 0.747 1.00 0.00 H new ATOM 0 HZ PHE A 51 69.836 -4.778 1.476 1.00 0.00 H new ATOM 718 N THR A 52 65.316 -2.698 3.508 1.00 0.00 N ATOM 719 CA THR A 52 65.829 -1.670 4.383 1.00 0.00 C ATOM 720 C THR A 52 67.141 -1.132 3.831 1.00 0.00 C ATOM 721 O THR A 52 68.135 -1.852 3.773 1.00 0.00 O ATOM 722 CB THR A 52 66.044 -2.217 5.805 1.00 0.00 C ATOM 723 OG1 THR A 52 64.861 -2.903 6.238 1.00 0.00 O ATOM 724 CG2 THR A 52 66.370 -1.091 6.773 1.00 0.00 C ATOM 0 H THR A 52 65.833 -3.577 3.537 1.00 0.00 H new ATOM 0 HA THR A 52 65.098 -0.863 4.433 1.00 0.00 H new ATOM 0 HB THR A 52 66.885 -2.910 5.789 1.00 0.00 H new ATOM 0 HG1 THR A 52 64.999 -3.253 7.143 1.00 0.00 H new ATOM 0 HG21 THR A 52 66.518 -1.501 7.772 1.00 0.00 H new ATOM 0 HG22 THR A 52 67.280 -0.586 6.450 1.00 0.00 H new ATOM 0 HG23 THR A 52 65.546 -0.378 6.792 1.00 0.00 H new ATOM 732 N CYS A 53 67.115 0.119 3.378 1.00 0.00 N ATOM 733 CA CYS A 53 68.305 0.776 2.847 1.00 0.00 C ATOM 734 C CYS A 53 69.454 0.739 3.849 1.00 0.00 C ATOM 735 O CYS A 53 69.238 0.769 5.062 1.00 0.00 O ATOM 736 CB CYS A 53 67.991 2.218 2.483 1.00 0.00 C ATOM 737 SG CYS A 53 69.429 3.161 1.886 1.00 0.00 S ATOM 0 H CYS A 53 66.277 0.700 3.369 1.00 0.00 H new ATOM 0 HA CYS A 53 68.612 0.233 1.953 1.00 0.00 H new ATOM 0 HB2 CYS A 53 67.218 2.228 1.714 1.00 0.00 H new ATOM 0 HB3 CYS A 53 67.577 2.721 3.357 1.00 0.00 H new ATOM 742 N ASN A 54 70.673 0.721 3.329 1.00 0.00 N ATOM 743 CA ASN A 54 71.864 0.577 4.156 1.00 0.00 C ATOM 744 C ASN A 54 72.135 1.836 4.977 1.00 0.00 C ATOM 745 O ASN A 54 72.883 1.798 5.953 1.00 0.00 O ATOM 746 CB ASN A 54 73.074 0.249 3.277 1.00 0.00 C ATOM 747 CG ASN A 54 72.959 -1.104 2.605 1.00 0.00 C ATOM 748 OD1 ASN A 54 73.370 -2.121 3.156 1.00 0.00 O ATOM 749 ND2 ASN A 54 72.400 -1.121 1.404 1.00 0.00 N ATOM 0 H ASN A 54 70.864 0.805 2.331 1.00 0.00 H new ATOM 0 HA ASN A 54 71.690 -0.242 4.854 1.00 0.00 H new ATOM 0 HB2 ASN A 54 73.184 1.020 2.515 1.00 0.00 H new ATOM 0 HB3 ASN A 54 73.977 0.272 3.886 1.00 0.00 H new ATOM 0 HD21 ASN A 54 72.298 -2.003 0.901 1.00 0.00 H new ATOM 0 HD22 ASN A 54 72.072 -0.252 0.982 1.00 0.00 H new ATOM 756 N ASN A 55 71.527 2.951 4.582 1.00 0.00 N ATOM 757 CA ASN A 55 71.706 4.204 5.298 1.00 0.00 C ATOM 758 C ASN A 55 70.706 4.338 6.446 1.00 0.00 C ATOM 759 O ASN A 55 70.889 5.157 7.349 1.00 0.00 O ATOM 760 CB ASN A 55 71.588 5.399 4.350 1.00 0.00 C ATOM 761 CG ASN A 55 70.164 5.862 4.133 1.00 0.00 C ATOM 762 OD1 ASN A 55 69.217 5.074 4.140 1.00 0.00 O ATOM 763 ND2 ASN A 55 70.003 7.148 3.924 1.00 0.00 N ATOM 0 H ASN A 55 70.909 3.010 3.773 1.00 0.00 H new ATOM 0 HA ASN A 55 72.710 4.196 5.722 1.00 0.00 H new ATOM 0 HB2 ASN A 55 72.174 6.227 4.748 1.00 0.00 H new ATOM 0 HB3 ASN A 55 72.025 5.133 3.388 1.00 0.00 H new ATOM 0 HD21 ASN A 55 69.070 7.525 3.760 1.00 0.00 H new ATOM 0 HD22 ASN A 55 70.811 7.770 3.926 1.00 0.00 H new ATOM 770 N GLY A 56 69.648 3.533 6.407 1.00 0.00 N ATOM 771 CA GLY A 56 68.635 3.607 7.438 1.00 0.00 C ATOM 772 C GLY A 56 67.228 3.791 6.890 1.00 0.00 C ATOM 773 O GLY A 56 66.260 3.693 7.642 1.00 0.00 O ATOM 0 H GLY A 56 69.477 2.835 5.683 1.00 0.00 H new ATOM 0 HA2 GLY A 56 68.668 2.696 8.036 1.00 0.00 H new ATOM 0 HA3 GLY A 56 68.868 4.436 8.107 1.00 0.00 H new ATOM 777 N ARG A 57 67.093 4.074 5.593 1.00 0.00 N ATOM 778 CA ARG A 57 65.766 4.206 4.992 1.00 0.00 C ATOM 779 C ARG A 57 65.068 2.858 4.932 1.00 0.00 C ATOM 780 O ARG A 57 65.712 1.817 4.893 1.00 0.00 O ATOM 781 CB ARG A 57 65.843 4.732 3.561 1.00 0.00 C ATOM 782 CG ARG A 57 66.462 6.100 3.392 1.00 0.00 C ATOM 783 CD ARG A 57 66.915 6.255 1.949 1.00 0.00 C ATOM 784 NE ARG A 57 67.610 7.511 1.679 1.00 0.00 N ATOM 785 CZ ARG A 57 67.048 8.570 1.103 1.00 0.00 C ATOM 786 NH1 ARG A 57 65.750 8.572 0.812 1.00 0.00 N ATOM 787 NH2 ARG A 57 67.795 9.624 0.814 1.00 0.00 N ATOM 0 H ARG A 57 67.871 4.214 4.949 1.00 0.00 H new ATOM 0 HA ARG A 57 65.214 4.907 5.619 1.00 0.00 H new ATOM 0 HB2 ARG A 57 66.413 4.021 2.963 1.00 0.00 H new ATOM 0 HB3 ARG A 57 64.834 4.758 3.149 1.00 0.00 H new ATOM 0 HG2 ARG A 57 65.740 6.876 3.647 1.00 0.00 H new ATOM 0 HG3 ARG A 57 67.308 6.218 4.069 1.00 0.00 H new ATOM 0 HD2 ARG A 57 67.573 5.425 1.694 1.00 0.00 H new ATOM 0 HD3 ARG A 57 66.045 6.185 1.296 1.00 0.00 H new ATOM 0 HE ARG A 57 68.591 7.581 1.950 1.00 0.00 H new ATOM 0 HH11 ARG A 57 65.177 7.757 1.031 1.00 0.00 H new ATOM 0 HH12 ARG A 57 65.328 9.389 0.370 1.00 0.00 H new ATOM 0 HH21 ARG A 57 68.791 9.619 1.033 1.00 0.00 H new ATOM 0 HH22 ARG A 57 67.374 10.442 0.372 1.00 0.00 H new ATOM 801 N CYS A 58 63.758 2.884 4.891 1.00 0.00 N ATOM 802 CA CYS A 58 62.986 1.697 4.594 1.00 0.00 C ATOM 803 C CYS A 58 62.405 1.862 3.201 1.00 0.00 C ATOM 804 O CYS A 58 61.604 2.756 2.963 1.00 0.00 O ATOM 805 CB CYS A 58 61.892 1.510 5.641 1.00 0.00 C ATOM 806 SG CYS A 58 62.524 1.531 7.354 1.00 0.00 S ATOM 0 H CYS A 58 63.199 3.720 5.061 1.00 0.00 H new ATOM 0 HA CYS A 58 63.612 0.805 4.623 1.00 0.00 H new ATOM 0 HB2 CYS A 58 61.149 2.299 5.525 1.00 0.00 H new ATOM 0 HB3 CYS A 58 61.383 0.563 5.460 1.00 0.00 H new ATOM 811 N ILE A 59 62.831 1.032 2.269 1.00 0.00 N ATOM 812 CA ILE A 59 62.559 1.306 0.871 1.00 0.00 C ATOM 813 C ILE A 59 61.663 0.260 0.214 1.00 0.00 C ATOM 814 O ILE A 59 61.372 -0.792 0.788 1.00 0.00 O ATOM 815 CB ILE A 59 63.852 1.451 0.046 1.00 0.00 C ATOM 816 CG1 ILE A 59 64.650 0.151 0.042 1.00 0.00 C ATOM 817 CG2 ILE A 59 64.700 2.596 0.585 1.00 0.00 C ATOM 818 CD1 ILE A 59 65.862 0.204 -0.856 1.00 0.00 C ATOM 0 H ILE A 59 63.358 0.177 2.449 1.00 0.00 H new ATOM 0 HA ILE A 59 62.024 2.256 0.874 1.00 0.00 H new ATOM 0 HB ILE A 59 63.573 1.677 -0.983 1.00 0.00 H new ATOM 0 HG12 ILE A 59 64.968 -0.076 1.059 1.00 0.00 H new ATOM 0 HG13 ILE A 59 64.003 -0.665 -0.279 1.00 0.00 H new ATOM 0 HG21 ILE A 59 65.610 2.686 -0.008 1.00 0.00 H new ATOM 0 HG22 ILE A 59 64.135 3.526 0.526 1.00 0.00 H new ATOM 0 HG23 ILE A 59 64.963 2.397 1.624 1.00 0.00 H new ATOM 0 HD11 ILE A 59 66.387 -0.750 -0.815 1.00 0.00 H new ATOM 0 HD12 ILE A 59 65.547 0.401 -1.881 1.00 0.00 H new ATOM 0 HD13 ILE A 59 66.528 0.999 -0.522 1.00 0.00 H new ATOM 830 N ASN A 60 61.256 0.578 -1.007 1.00 0.00 N ATOM 831 CA ASN A 60 60.359 -0.256 -1.800 1.00 0.00 C ATOM 832 C ASN A 60 61.111 -1.467 -2.344 1.00 0.00 C ATOM 833 O ASN A 60 62.271 -1.348 -2.726 1.00 0.00 O ATOM 834 CB ASN A 60 59.815 0.579 -2.963 1.00 0.00 C ATOM 835 CG ASN A 60 58.618 -0.045 -3.639 1.00 0.00 C ATOM 836 OD1 ASN A 60 58.761 -0.905 -4.505 1.00 0.00 O ATOM 837 ND2 ASN A 60 57.436 0.417 -3.279 1.00 0.00 N ATOM 0 H ASN A 60 61.543 1.434 -1.482 1.00 0.00 H new ATOM 0 HA ASN A 60 59.538 -0.608 -1.176 1.00 0.00 H new ATOM 0 HB2 ASN A 60 59.541 1.567 -2.594 1.00 0.00 H new ATOM 0 HB3 ASN A 60 60.606 0.722 -3.699 1.00 0.00 H new ATOM 0 HD21 ASN A 60 56.591 0.059 -3.725 1.00 0.00 H new ATOM 0 HD22 ASN A 60 57.367 1.132 -2.555 1.00 0.00 H new ATOM 844 N ILE A 61 60.455 -2.622 -2.392 1.00 0.00 N ATOM 845 CA ILE A 61 61.106 -3.856 -2.828 1.00 0.00 C ATOM 846 C ILE A 61 61.354 -3.856 -4.351 1.00 0.00 C ATOM 847 O ILE A 61 62.143 -4.644 -4.867 1.00 0.00 O ATOM 848 CB ILE A 61 60.257 -5.088 -2.401 1.00 0.00 C ATOM 849 CG1 ILE A 61 61.144 -6.264 -1.945 1.00 0.00 C ATOM 850 CG2 ILE A 61 59.317 -5.526 -3.516 1.00 0.00 C ATOM 851 CD1 ILE A 61 61.904 -6.959 -3.055 1.00 0.00 C ATOM 0 H ILE A 61 59.474 -2.731 -2.135 1.00 0.00 H new ATOM 0 HA ILE A 61 62.080 -3.917 -2.342 1.00 0.00 H new ATOM 0 HB ILE A 61 59.653 -4.778 -1.548 1.00 0.00 H new ATOM 0 HG12 ILE A 61 61.860 -5.896 -1.210 1.00 0.00 H new ATOM 0 HG13 ILE A 61 60.517 -6.998 -1.439 1.00 0.00 H new ATOM 0 HG21 ILE A 61 58.738 -6.389 -3.186 1.00 0.00 H new ATOM 0 HG22 ILE A 61 58.640 -4.708 -3.764 1.00 0.00 H new ATOM 0 HG23 ILE A 61 59.899 -5.795 -4.398 1.00 0.00 H new ATOM 0 HD11 ILE A 61 62.499 -7.771 -2.636 1.00 0.00 H new ATOM 0 HD12 ILE A 61 61.199 -7.363 -3.781 1.00 0.00 H new ATOM 0 HD13 ILE A 61 62.563 -6.244 -3.548 1.00 0.00 H new ATOM 863 N ASN A 62 60.717 -2.939 -5.062 1.00 0.00 N ATOM 864 CA ASN A 62 60.829 -2.889 -6.523 1.00 0.00 C ATOM 865 C ASN A 62 62.049 -2.086 -6.971 1.00 0.00 C ATOM 866 O ASN A 62 62.095 -1.591 -8.096 1.00 0.00 O ATOM 867 CB ASN A 62 59.566 -2.284 -7.145 1.00 0.00 C ATOM 868 CG ASN A 62 58.390 -3.244 -7.163 1.00 0.00 C ATOM 869 OD1 ASN A 62 58.263 -4.117 -6.308 1.00 0.00 O ATOM 870 ND2 ASN A 62 57.515 -3.085 -8.144 1.00 0.00 N ATOM 0 H ASN A 62 60.118 -2.219 -4.659 1.00 0.00 H new ATOM 0 HA ASN A 62 60.947 -3.916 -6.868 1.00 0.00 H new ATOM 0 HB2 ASN A 62 59.288 -1.389 -6.589 1.00 0.00 H new ATOM 0 HB3 ASN A 62 59.786 -1.970 -8.165 1.00 0.00 H new ATOM 0 HD21 ASN A 62 56.703 -3.699 -8.207 1.00 0.00 H new ATOM 0 HD22 ASN A 62 57.653 -2.349 -8.836 1.00 0.00 H new ATOM 877 N TRP A 63 63.039 -1.974 -6.095 1.00 0.00 N ATOM 878 CA TRP A 63 64.265 -1.246 -6.416 1.00 0.00 C ATOM 879 C TRP A 63 65.419 -2.229 -6.610 1.00 0.00 C ATOM 880 O TRP A 63 66.559 -1.845 -6.920 1.00 0.00 O ATOM 881 CB TRP A 63 64.596 -0.242 -5.308 1.00 0.00 C ATOM 882 CG TRP A 63 63.593 0.873 -5.162 1.00 0.00 C ATOM 883 CD1 TRP A 63 62.369 0.971 -5.760 1.00 0.00 C ATOM 884 CD2 TRP A 63 63.728 2.044 -4.351 1.00 0.00 C ATOM 885 NE1 TRP A 63 61.743 2.132 -5.375 1.00 0.00 N ATOM 886 CE2 TRP A 63 62.558 2.809 -4.513 1.00 0.00 C ATOM 887 CE3 TRP A 63 64.731 2.521 -3.511 1.00 0.00 C ATOM 888 CZ2 TRP A 63 62.362 4.021 -3.858 1.00 0.00 C ATOM 889 CZ3 TRP A 63 64.537 3.723 -2.859 1.00 0.00 C ATOM 890 CH2 TRP A 63 63.363 4.464 -3.037 1.00 0.00 C ATOM 0 H TRP A 63 63.020 -2.376 -5.158 1.00 0.00 H new ATOM 0 HA TRP A 63 64.115 -0.694 -7.344 1.00 0.00 H new ATOM 0 HB2 TRP A 63 64.669 -0.776 -4.360 1.00 0.00 H new ATOM 0 HB3 TRP A 63 65.576 0.191 -5.507 1.00 0.00 H new ATOM 0 HD1 TRP A 63 61.953 0.241 -6.438 1.00 0.00 H new ATOM 0 HE1 TRP A 63 60.820 2.438 -5.683 1.00 0.00 H new ATOM 0 HE3 TRP A 63 65.644 1.961 -3.372 1.00 0.00 H new ATOM 0 HZ2 TRP A 63 61.454 4.590 -3.993 1.00 0.00 H new ATOM 0 HZ3 TRP A 63 65.306 4.098 -2.199 1.00 0.00 H new ATOM 0 HH2 TRP A 63 63.245 5.403 -2.517 1.00 0.00 H new ATOM 901 N ARG A 64 65.101 -3.505 -6.417 1.00 0.00 N ATOM 902 CA ARG A 64 66.048 -4.590 -6.636 1.00 0.00 C ATOM 903 C ARG A 64 66.393 -4.680 -8.122 1.00 0.00 C ATOM 904 O ARG A 64 65.724 -5.382 -8.879 1.00 0.00 O ATOM 905 CB ARG A 64 65.441 -5.914 -6.148 1.00 0.00 C ATOM 906 CG ARG A 64 66.460 -7.010 -5.834 1.00 0.00 C ATOM 907 CD ARG A 64 66.951 -6.933 -4.389 1.00 0.00 C ATOM 908 NE ARG A 64 65.845 -6.952 -3.431 1.00 0.00 N ATOM 909 CZ ARG A 64 65.982 -7.225 -2.133 1.00 0.00 C ATOM 910 NH1 ARG A 64 67.166 -7.549 -1.635 1.00 0.00 N ATOM 911 NH2 ARG A 64 64.925 -7.169 -1.332 1.00 0.00 N ATOM 0 H ARG A 64 64.181 -3.815 -6.105 1.00 0.00 H new ATOM 0 HA ARG A 64 66.961 -4.394 -6.074 1.00 0.00 H new ATOM 0 HB2 ARG A 64 64.851 -5.719 -5.252 1.00 0.00 H new ATOM 0 HB3 ARG A 64 64.753 -6.284 -6.908 1.00 0.00 H new ATOM 0 HG2 ARG A 64 66.010 -7.986 -6.013 1.00 0.00 H new ATOM 0 HG3 ARG A 64 67.309 -6.921 -6.511 1.00 0.00 H new ATOM 0 HD2 ARG A 64 67.619 -7.771 -4.188 1.00 0.00 H new ATOM 0 HD3 ARG A 64 67.533 -6.022 -4.252 1.00 0.00 H new ATOM 0 HE ARG A 64 64.909 -6.743 -3.778 1.00 0.00 H new ATOM 0 HH11 ARG A 64 67.982 -7.591 -2.246 1.00 0.00 H new ATOM 0 HH12 ARG A 64 67.262 -7.756 -0.641 1.00 0.00 H new ATOM 0 HH21 ARG A 64 64.011 -6.918 -1.710 1.00 0.00 H new ATOM 0 HH22 ARG A 64 65.026 -7.377 -0.339 1.00 0.00 H new ATOM 925 N CYS A 65 67.415 -3.942 -8.533 1.00 0.00 N ATOM 926 CA CYS A 65 67.795 -3.861 -9.940 1.00 0.00 C ATOM 927 C CYS A 65 68.566 -5.088 -10.396 1.00 0.00 C ATOM 928 O CYS A 65 68.016 -6.004 -11.011 1.00 0.00 O ATOM 929 CB CYS A 65 68.643 -2.606 -10.209 1.00 0.00 C ATOM 930 SG CYS A 65 67.694 -1.091 -10.579 1.00 0.00 S ATOM 0 H CYS A 65 68.000 -3.387 -7.909 1.00 0.00 H new ATOM 0 HA CYS A 65 66.867 -3.806 -10.508 1.00 0.00 H new ATOM 0 HB2 CYS A 65 69.271 -2.418 -9.338 1.00 0.00 H new ATOM 0 HB3 CYS A 65 69.311 -2.811 -11.046 1.00 0.00 H new ATOM 935 N ASP A 66 69.838 -5.084 -10.083 1.00 0.00 N ATOM 936 CA ASP A 66 70.778 -6.065 -10.594 1.00 0.00 C ATOM 937 C ASP A 66 71.041 -7.178 -9.589 1.00 0.00 C ATOM 938 O ASP A 66 70.801 -8.351 -9.880 1.00 0.00 O ATOM 939 CB ASP A 66 72.084 -5.359 -10.961 1.00 0.00 C ATOM 940 CG ASP A 66 72.580 -4.472 -9.837 1.00 0.00 C ATOM 941 OD1 ASP A 66 71.892 -3.470 -9.528 1.00 0.00 O ATOM 942 OD2 ASP A 66 73.633 -4.797 -9.251 1.00 0.00 O ATOM 0 H ASP A 66 70.260 -4.395 -9.460 1.00 0.00 H new ATOM 0 HA ASP A 66 70.344 -6.531 -11.479 1.00 0.00 H new ATOM 0 HB2 ASP A 66 72.844 -6.103 -11.200 1.00 0.00 H new ATOM 0 HB3 ASP A 66 71.933 -4.759 -11.858 1.00 0.00 H new ATOM 947 N ASN A 67 71.533 -6.821 -8.412 1.00 0.00 N ATOM 948 CA ASN A 67 71.883 -7.813 -7.424 1.00 0.00 C ATOM 949 C ASN A 67 71.095 -7.600 -6.133 1.00 0.00 C ATOM 950 O ASN A 67 70.614 -8.565 -5.534 1.00 0.00 O ATOM 951 CB ASN A 67 73.398 -7.824 -7.171 1.00 0.00 C ATOM 952 CG ASN A 67 73.839 -6.806 -6.141 1.00 0.00 C ATOM 953 OD1 ASN A 67 74.022 -7.140 -4.972 1.00 0.00 O ATOM 954 ND2 ASN A 67 74.002 -5.564 -6.563 1.00 0.00 N ATOM 0 H ASN A 67 71.696 -5.856 -8.125 1.00 0.00 H new ATOM 0 HA ASN A 67 71.610 -8.794 -7.813 1.00 0.00 H new ATOM 0 HB2 ASN A 67 73.697 -8.819 -6.840 1.00 0.00 H new ATOM 0 HB3 ASN A 67 73.918 -7.630 -8.109 1.00 0.00 H new ATOM 0 HD21 ASN A 67 74.291 -4.837 -5.909 1.00 0.00 H new ATOM 0 HD22 ASN A 67 73.839 -5.333 -7.543 1.00 0.00 H new ATOM 961 N ASP A 68 70.932 -6.348 -5.711 1.00 0.00 N ATOM 962 CA ASP A 68 70.113 -6.062 -4.546 1.00 0.00 C ATOM 963 C ASP A 68 69.199 -4.853 -4.802 1.00 0.00 C ATOM 964 O ASP A 68 68.926 -4.517 -5.953 1.00 0.00 O ATOM 965 CB ASP A 68 70.971 -5.879 -3.287 1.00 0.00 C ATOM 966 CG ASP A 68 70.158 -6.033 -2.020 1.00 0.00 C ATOM 967 OD1 ASP A 68 69.887 -7.189 -1.618 1.00 0.00 O ATOM 968 OD2 ASP A 68 69.747 -5.005 -1.450 1.00 0.00 O ATOM 0 H ASP A 68 71.351 -5.530 -6.153 1.00 0.00 H new ATOM 0 HA ASP A 68 69.471 -6.924 -4.366 1.00 0.00 H new ATOM 0 HB2 ASP A 68 71.780 -6.610 -3.290 1.00 0.00 H new ATOM 0 HB3 ASP A 68 71.433 -4.892 -3.304 1.00 0.00 H new ATOM 973 N ASN A 69 68.731 -4.204 -3.738 1.00 0.00 N ATOM 974 CA ASN A 69 67.496 -3.421 -3.799 1.00 0.00 C ATOM 975 C ASN A 69 67.715 -1.904 -3.777 1.00 0.00 C ATOM 976 O ASN A 69 66.841 -1.168 -3.332 1.00 0.00 O ATOM 977 CB ASN A 69 66.612 -3.820 -2.617 1.00 0.00 C ATOM 978 CG ASN A 69 65.127 -3.602 -2.859 1.00 0.00 C ATOM 979 OD1 ASN A 69 64.416 -4.505 -3.293 1.00 0.00 O ATOM 980 ND2 ASN A 69 64.650 -2.405 -2.588 1.00 0.00 N ATOM 0 H ASN A 69 69.186 -4.204 -2.825 1.00 0.00 H new ATOM 0 HA ASN A 69 67.024 -3.645 -4.756 1.00 0.00 H new ATOM 0 HB2 ASN A 69 66.782 -4.872 -2.387 1.00 0.00 H new ATOM 0 HB3 ASN A 69 66.915 -3.249 -1.740 1.00 0.00 H new ATOM 0 HD21 ASN A 69 63.661 -2.204 -2.737 1.00 0.00 H new ATOM 0 HD22 ASN A 69 65.269 -1.679 -2.229 1.00 0.00 H new ATOM 987 N ASP A 70 68.855 -1.437 -4.262 1.00 0.00 N ATOM 988 CA ASP A 70 69.062 0.004 -4.488 1.00 0.00 C ATOM 989 C ASP A 70 68.842 0.835 -3.213 1.00 0.00 C ATOM 990 O ASP A 70 68.960 0.314 -2.099 1.00 0.00 O ATOM 991 CB ASP A 70 68.087 0.479 -5.564 1.00 0.00 C ATOM 992 CG ASP A 70 68.651 1.570 -6.430 1.00 0.00 C ATOM 993 OD1 ASP A 70 68.858 2.698 -5.935 1.00 0.00 O ATOM 994 OD2 ASP A 70 68.882 1.297 -7.614 1.00 0.00 O ATOM 0 H ASP A 70 69.653 -2.023 -4.509 1.00 0.00 H new ATOM 0 HA ASP A 70 70.097 0.146 -4.800 1.00 0.00 H new ATOM 0 HB2 ASP A 70 67.807 -0.367 -6.192 1.00 0.00 H new ATOM 0 HB3 ASP A 70 67.175 0.837 -5.087 1.00 0.00 H new ATOM 999 N CYS A 71 68.576 2.141 -3.403 1.00 0.00 N ATOM 1000 CA CYS A 71 68.193 3.065 -2.324 1.00 0.00 C ATOM 1001 C CYS A 71 68.264 4.526 -2.782 1.00 0.00 C ATOM 1002 O CYS A 71 67.243 5.208 -2.878 1.00 0.00 O ATOM 1003 CB CYS A 71 69.073 2.895 -1.088 1.00 0.00 C ATOM 1004 SG CYS A 71 68.746 4.100 0.230 1.00 0.00 S ATOM 0 H CYS A 71 68.622 2.587 -4.319 1.00 0.00 H new ATOM 0 HA CYS A 71 67.164 2.816 -2.065 1.00 0.00 H new ATOM 0 HB2 CYS A 71 68.931 1.890 -0.690 1.00 0.00 H new ATOM 0 HB3 CYS A 71 70.118 2.974 -1.386 1.00 0.00 H new ATOM 1009 N GLY A 72 69.478 5.007 -3.032 1.00 0.00 N ATOM 1010 CA GLY A 72 69.673 6.392 -3.428 1.00 0.00 C ATOM 1011 C GLY A 72 70.872 7.017 -2.748 1.00 0.00 C ATOM 1012 O GLY A 72 71.584 7.826 -3.341 1.00 0.00 O ATOM 0 H GLY A 72 70.336 4.459 -2.967 1.00 0.00 H new ATOM 0 HA2 GLY A 72 69.802 6.444 -4.509 1.00 0.00 H new ATOM 0 HA3 GLY A 72 68.779 6.967 -3.186 1.00 0.00 H new ATOM 1016 N ASP A 73 71.101 6.627 -1.504 1.00 0.00 N ATOM 1017 CA ASP A 73 72.246 7.074 -0.751 1.00 0.00 C ATOM 1018 C ASP A 73 72.585 5.975 0.236 1.00 0.00 C ATOM 1019 O ASP A 73 71.831 5.672 1.158 1.00 0.00 O ATOM 1020 CB ASP A 73 72.026 8.445 -0.068 1.00 0.00 C ATOM 1021 CG ASP A 73 71.343 8.392 1.289 1.00 0.00 C ATOM 1022 OD1 ASP A 73 72.050 8.240 2.310 1.00 0.00 O ATOM 1023 OD2 ASP A 73 70.104 8.538 1.341 1.00 0.00 O ATOM 0 H ASP A 73 70.491 5.989 -0.993 1.00 0.00 H new ATOM 0 HA ASP A 73 73.086 7.250 -1.423 1.00 0.00 H new ATOM 0 HB2 ASP A 73 72.993 8.933 0.049 1.00 0.00 H new ATOM 0 HB3 ASP A 73 71.431 9.072 -0.732 1.00 0.00 H new ATOM 1028 N ASN A 74 73.665 5.299 -0.081 1.00 0.00 N ATOM 1029 CA ASN A 74 74.159 4.159 0.697 1.00 0.00 C ATOM 1030 C ASN A 74 73.266 2.966 0.399 1.00 0.00 C ATOM 1031 O ASN A 74 72.655 2.365 1.280 1.00 0.00 O ATOM 1032 CB ASN A 74 74.201 4.449 2.210 1.00 0.00 C ATOM 1033 CG ASN A 74 75.095 5.624 2.571 1.00 0.00 C ATOM 1034 OD1 ASN A 74 76.303 5.471 2.759 1.00 0.00 O ATOM 1035 ND2 ASN A 74 74.505 6.803 2.695 1.00 0.00 N ATOM 0 H ASN A 74 74.240 5.519 -0.894 1.00 0.00 H new ATOM 0 HA ASN A 74 75.188 3.952 0.405 1.00 0.00 H new ATOM 0 HB2 ASN A 74 73.189 4.649 2.563 1.00 0.00 H new ATOM 0 HB3 ASN A 74 74.552 3.560 2.734 1.00 0.00 H new ATOM 0 HD21 ASN A 74 75.053 7.623 2.954 1.00 0.00 H new ATOM 0 HD22 ASN A 74 73.502 6.891 2.531 1.00 0.00 H new ATOM 1042 N SER A 75 73.177 2.666 -0.879 1.00 0.00 N ATOM 1043 CA SER A 75 72.238 1.693 -1.392 1.00 0.00 C ATOM 1044 C SER A 75 72.832 0.299 -1.482 1.00 0.00 C ATOM 1045 O SER A 75 73.874 0.015 -0.896 1.00 0.00 O ATOM 1046 CB SER A 75 71.829 2.126 -2.781 1.00 0.00 C ATOM 1047 OG SER A 75 71.716 3.537 -2.859 1.00 0.00 O ATOM 0 H SER A 75 73.760 3.095 -1.597 1.00 0.00 H new ATOM 0 HA SER A 75 71.392 1.648 -0.707 1.00 0.00 H new ATOM 0 HB2 SER A 75 72.563 1.775 -3.506 1.00 0.00 H new ATOM 0 HB3 SER A 75 70.876 1.666 -3.044 1.00 0.00 H new ATOM 0 HG SER A 75 72.280 3.871 -3.587 1.00 0.00 H new ATOM 1053 N ASP A 76 72.114 -0.562 -2.208 1.00 0.00 N ATOM 1054 CA ASP A 76 72.653 -1.825 -2.697 1.00 0.00 C ATOM 1055 C ASP A 76 74.029 -1.578 -3.320 1.00 0.00 C ATOM 1056 O ASP A 76 75.061 -1.954 -2.766 1.00 0.00 O ATOM 1057 CB ASP A 76 71.700 -2.405 -3.744 1.00 0.00 C ATOM 1058 CG ASP A 76 72.344 -3.431 -4.666 1.00 0.00 C ATOM 1059 OD1 ASP A 76 73.319 -4.092 -4.260 1.00 0.00 O ATOM 1060 OD2 ASP A 76 71.847 -3.587 -5.797 1.00 0.00 O ATOM 0 H ASP A 76 71.142 -0.399 -2.471 1.00 0.00 H new ATOM 0 HA ASP A 76 72.755 -2.532 -1.873 1.00 0.00 H new ATOM 0 HB2 ASP A 76 70.856 -2.869 -3.234 1.00 0.00 H new ATOM 0 HB3 ASP A 76 71.300 -1.590 -4.347 1.00 0.00 H new ATOM 1065 N GLU A 77 74.020 -0.899 -4.462 1.00 0.00 N ATOM 1066 CA GLU A 77 75.240 -0.575 -5.181 1.00 0.00 C ATOM 1067 C GLU A 77 75.569 0.910 -5.072 1.00 0.00 C ATOM 1068 O GLU A 77 76.660 1.290 -4.639 1.00 0.00 O ATOM 1069 CB GLU A 77 75.128 -1.012 -6.656 1.00 0.00 C ATOM 1070 CG GLU A 77 73.695 -1.131 -7.188 1.00 0.00 C ATOM 1071 CD GLU A 77 72.915 0.165 -7.108 1.00 0.00 C ATOM 1072 OE1 GLU A 77 73.100 1.029 -7.991 1.00 0.00 O ATOM 1073 OE2 GLU A 77 72.166 0.354 -6.118 1.00 0.00 O ATOM 0 H GLU A 77 73.169 -0.560 -4.911 1.00 0.00 H new ATOM 0 HA GLU A 77 76.061 -1.126 -4.722 1.00 0.00 H new ATOM 0 HB2 GLU A 77 75.671 -0.297 -7.274 1.00 0.00 H new ATOM 0 HB3 GLU A 77 75.624 -1.975 -6.773 1.00 0.00 H new ATOM 0 HG2 GLU A 77 73.727 -1.464 -8.225 1.00 0.00 H new ATOM 0 HG3 GLU A 77 73.168 -1.899 -6.623 1.00 0.00 H new ATOM 1080 N ALA A 78 74.614 1.734 -5.450 1.00 0.00 N ATOM 1081 CA ALA A 78 74.780 3.181 -5.456 1.00 0.00 C ATOM 1082 C ALA A 78 73.460 3.875 -5.768 1.00 0.00 C ATOM 1083 O ALA A 78 72.998 4.711 -4.992 1.00 0.00 O ATOM 1084 CB ALA A 78 75.836 3.599 -6.472 1.00 0.00 C ATOM 0 H ALA A 78 73.695 1.422 -5.764 1.00 0.00 H new ATOM 0 HA ALA A 78 75.109 3.483 -4.462 1.00 0.00 H new ATOM 0 HB1 ALA A 78 75.944 4.684 -6.460 1.00 0.00 H new ATOM 0 HB2 ALA A 78 76.790 3.137 -6.217 1.00 0.00 H new ATOM 0 HB3 ALA A 78 75.531 3.276 -7.467 1.00 0.00 H new ATOM 1090 N GLY A 79 72.844 3.497 -6.886 1.00 0.00 N ATOM 1091 CA GLY A 79 71.633 4.158 -7.339 1.00 0.00 C ATOM 1092 C GLY A 79 71.297 3.820 -8.780 1.00 0.00 C ATOM 1093 O GLY A 79 71.702 4.527 -9.705 1.00 0.00 O ATOM 0 H GLY A 79 73.165 2.740 -7.489 1.00 0.00 H new ATOM 0 HA2 GLY A 79 70.801 3.868 -6.697 1.00 0.00 H new ATOM 0 HA3 GLY A 79 71.752 5.237 -7.239 1.00 0.00 H new ATOM 1097 N CYS A 80 70.572 2.733 -8.964 1.00 0.00 N ATOM 1098 CA CYS A 80 70.123 2.300 -10.277 1.00 0.00 C ATOM 1099 C CYS A 80 68.735 2.858 -10.572 1.00 0.00 C ATOM 1100 O CYS A 80 68.449 3.306 -11.688 1.00 0.00 O ATOM 1101 CB CYS A 80 70.103 0.765 -10.334 1.00 0.00 C ATOM 1102 SG CYS A 80 69.015 0.057 -11.622 1.00 0.00 S ATOM 0 H CYS A 80 70.275 2.121 -8.204 1.00 0.00 H new ATOM 0 HA CYS A 80 70.813 2.677 -11.032 1.00 0.00 H new ATOM 0 HB2 CYS A 80 71.119 0.409 -10.501 1.00 0.00 H new ATOM 0 HB3 CYS A 80 69.788 0.384 -9.363 1.00 0.00 H new ATOM 1107 N SER A 81 67.879 2.829 -9.562 1.00 0.00 N ATOM 1108 CA SER A 81 66.511 3.292 -9.694 1.00 0.00 C ATOM 1109 C SER A 81 66.450 4.818 -9.732 1.00 0.00 C ATOM 1110 O SER A 81 67.005 5.497 -8.867 1.00 0.00 O ATOM 1111 CB SER A 81 65.663 2.755 -8.535 1.00 0.00 C ATOM 1112 OG SER A 81 64.294 3.091 -8.696 1.00 0.00 O ATOM 0 H SER A 81 68.115 2.484 -8.631 1.00 0.00 H new ATOM 0 HA SER A 81 66.110 2.915 -10.635 1.00 0.00 H new ATOM 0 HB2 SER A 81 65.769 1.672 -8.476 1.00 0.00 H new ATOM 0 HB3 SER A 81 66.031 3.163 -7.594 1.00 0.00 H new ATOM 0 HG SER A 81 63.779 2.734 -7.943 1.00 0.00 H new ATOM 1118 N HIS A 82 65.771 5.346 -10.741 1.00 0.00 N ATOM 1119 CA HIS A 82 65.596 6.781 -10.881 1.00 0.00 C ATOM 1120 C HIS A 82 64.198 7.074 -11.425 1.00 0.00 C ATOM 1121 O HIS A 82 63.243 7.097 -10.622 1.00 0.00 O ATOM 1122 CB HIS A 82 66.674 7.359 -11.810 1.00 0.00 C ATOM 1123 CG HIS A 82 66.681 8.858 -11.883 1.00 0.00 C ATOM 1124 ND1 HIS A 82 65.700 9.595 -12.503 1.00 0.00 N ATOM 1125 CD2 HIS A 82 67.573 9.758 -11.397 1.00 0.00 C ATOM 1126 CE1 HIS A 82 66.017 10.890 -12.386 1.00 0.00 C ATOM 1127 NE2 HIS A 82 67.146 11.045 -11.721 1.00 0.00 N ATOM 1128 OXT HIS A 82 64.057 7.261 -12.655 1.00 0.00 O ATOM 0 H HIS A 82 65.330 4.796 -11.478 1.00 0.00 H new ATOM 0 HA HIS A 82 65.700 7.255 -9.905 1.00 0.00 H new ATOM 0 HB2 HIS A 82 67.652 7.018 -11.470 1.00 0.00 H new ATOM 0 HB3 HIS A 82 66.527 6.958 -12.813 1.00 0.00 H new ATOM 0 HD1 HIS A 82 64.875 9.220 -12.971 1.00 0.00 H new ATOM 0 HD2 HIS A 82 68.470 9.516 -10.847 1.00 0.00 H new ATOM 0 HE1 HIS A 82 65.426 11.702 -12.784 1.00 0.00 H new TER 1136 HIS A 82