USER MOD reduce.3.24.130724 H: found=0, std=0, add=439, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 438 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 12 THR OG1 : rot 180:sc= 0.00179 USER MOD Set 1.2: A 36 GLN : amide:sc= -1.35! C(o=-1.3!,f=-2.4!) USER MOD Set 2.1: A 15 SER OG : rot 24:sc= 0.825 USER MOD Set 2.2: A 35 ASN :FLIP amide:sc= -2.84! C(o=-3.4!,f=-2!) USER MOD Single : A 1 ASN : amide:sc= -0.0886 K(o=-0.089,f=-1.7) USER MOD Single : A 1 ASN N :NH3+ 146:sc= 0.0142 (180deg=0) USER MOD Single : A 8 GLN :FLIP amide:sc= -4.1 F(o=-6.6!,f=-4.1) USER MOD Single : A 9 THR OG1 : rot 180:sc= -0.149 USER MOD Single : A 11 GLN :FLIP amide:sc= -0.517 F(o=-2,f=-0.52) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 19 LYS NZ :NH3+ 144:sc= 1.21 (180deg=-0.52) USER MOD Single : A 20 THR OG1 : rot -130:sc= -0.452 USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 ASN : amide:sc= -0.402 X(o=-0.4,f=-0.023) USER MOD Single : A 26 LYS NZ :NH3+ 159:sc= 0.723 (180deg=0.175) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 SER OG : rot 50:sc= 0.759 USER MOD Single : A 44 THR OG1 : rot -14:sc= -0.249 USER MOD Single : A 47 LYS NZ :NH3+ -162:sc= -0.0713 (180deg=-0.49) USER MOD Single : A 48 SER OG : rot 180:sc= -0.0658 USER MOD Single : A 49 LYS NZ :NH3+ -112:sc= -1.38 (180deg=-2.78) USER MOD Single : A 51 SER OG : rot 22:sc= 0.341 USER MOD Single : A 52 SER OG : rot -56:sc= 0.249 USER MOD Single : A 56 HIS : no HE2:sc= -0.478 K(o=-0.48,f=-2.2) USER MOD Single : A 58 SER OG : rot 180:sc= 0.00245 USER MOD Single : A 59 LYS NZ :NH3+ 166:sc= -0.0219 (180deg=-0.299) USER MOD ----------------------------------------------------------------- ATOM 1 N ASN A 1 30.637 18.875 -9.101 1.00 0.00 N ATOM 2 CA ASN A 1 31.732 19.872 -8.936 1.00 0.00 C ATOM 3 C ASN A 1 33.032 19.137 -8.585 1.00 0.00 C ATOM 4 O ASN A 1 33.023 18.190 -7.821 1.00 0.00 O ATOM 5 CB ASN A 1 31.378 20.860 -7.805 1.00 0.00 C ATOM 6 CG ASN A 1 32.493 21.907 -7.649 1.00 0.00 C ATOM 7 OD1 ASN A 1 33.515 21.662 -7.038 1.00 0.00 O ATOM 8 ND2 ASN A 1 32.335 23.083 -8.189 1.00 0.00 N ATOM 0 H1 ASN A 1 29.740 19.286 -8.772 1.00 0.00 H new ATOM 0 H2 ASN A 1 30.551 18.616 -10.105 1.00 0.00 H new ATOM 0 H3 ASN A 1 30.854 18.025 -8.542 1.00 0.00 H new ATOM 0 HA ASN A 1 31.860 20.427 -9.866 1.00 0.00 H new ATOM 0 HB2 ASN A 1 30.432 21.355 -8.027 1.00 0.00 H new ATOM 0 HB3 ASN A 1 31.243 20.319 -6.868 1.00 0.00 H new ATOM 0 HD21 ASN A 1 33.066 23.789 -8.097 1.00 0.00 H new ATOM 0 HD22 ASN A 1 31.481 23.297 -8.703 1.00 0.00 H new ATOM 17 N PHE A 2 34.113 19.607 -9.157 1.00 0.00 N ATOM 18 CA PHE A 2 35.446 18.991 -8.904 1.00 0.00 C ATOM 19 C PHE A 2 36.020 19.635 -7.634 1.00 0.00 C ATOM 20 O PHE A 2 36.739 20.614 -7.679 1.00 0.00 O ATOM 21 CB PHE A 2 36.361 19.252 -10.126 1.00 0.00 C ATOM 22 CG PHE A 2 37.719 18.582 -9.859 1.00 0.00 C ATOM 23 CD1 PHE A 2 37.867 17.216 -10.029 1.00 0.00 C ATOM 24 CD2 PHE A 2 38.805 19.328 -9.438 1.00 0.00 C ATOM 25 CE1 PHE A 2 39.078 16.608 -9.779 1.00 0.00 C ATOM 26 CE2 PHE A 2 40.015 18.719 -9.186 1.00 0.00 C ATOM 27 CZ PHE A 2 40.151 17.358 -9.357 1.00 0.00 C ATOM 0 H PHE A 2 34.125 20.402 -9.796 1.00 0.00 H new ATOM 0 HA PHE A 2 35.371 17.913 -8.762 1.00 0.00 H new ATOM 0 HB2 PHE A 2 35.909 18.849 -11.032 1.00 0.00 H new ATOM 0 HB3 PHE A 2 36.489 20.323 -10.283 1.00 0.00 H new ATOM 0 HD1 PHE A 2 37.027 16.623 -10.360 1.00 0.00 H new ATOM 0 HD2 PHE A 2 38.704 20.395 -9.306 1.00 0.00 H new ATOM 0 HE1 PHE A 2 39.185 15.542 -9.914 1.00 0.00 H new ATOM 0 HE2 PHE A 2 40.857 19.308 -8.854 1.00 0.00 H new ATOM 0 HZ PHE A 2 41.100 16.881 -9.160 1.00 0.00 H new ATOM 37 N VAL A 3 35.655 19.036 -6.533 1.00 0.00 N ATOM 38 CA VAL A 3 36.111 19.513 -5.191 1.00 0.00 C ATOM 39 C VAL A 3 36.985 18.453 -4.510 1.00 0.00 C ATOM 40 O VAL A 3 36.756 17.262 -4.612 1.00 0.00 O ATOM 41 CB VAL A 3 34.837 19.841 -4.348 1.00 0.00 C ATOM 42 CG1 VAL A 3 33.954 18.587 -4.140 1.00 0.00 C ATOM 43 CG2 VAL A 3 35.227 20.445 -2.980 1.00 0.00 C ATOM 0 H VAL A 3 35.047 18.218 -6.505 1.00 0.00 H new ATOM 0 HA VAL A 3 36.726 20.408 -5.287 1.00 0.00 H new ATOM 0 HB VAL A 3 34.257 20.575 -4.908 1.00 0.00 H new ATOM 0 HG11 VAL A 3 33.077 18.853 -3.550 1.00 0.00 H new ATOM 0 HG12 VAL A 3 33.636 18.201 -5.109 1.00 0.00 H new ATOM 0 HG13 VAL A 3 34.526 17.822 -3.615 1.00 0.00 H new ATOM 0 HG21 VAL A 3 34.325 20.666 -2.409 1.00 0.00 H new ATOM 0 HG22 VAL A 3 35.840 19.732 -2.429 1.00 0.00 H new ATOM 0 HG23 VAL A 3 35.792 21.364 -3.136 1.00 0.00 H new ATOM 53 N CYS A 4 37.976 18.966 -3.833 1.00 0.00 N ATOM 54 CA CYS A 4 38.967 18.139 -3.080 1.00 0.00 C ATOM 55 C CYS A 4 38.354 17.699 -1.727 1.00 0.00 C ATOM 56 O CYS A 4 37.212 18.008 -1.448 1.00 0.00 O ATOM 57 CB CYS A 4 40.187 18.992 -2.837 1.00 0.00 C ATOM 58 SG CYS A 4 41.221 19.663 -4.161 1.00 0.00 S ATOM 0 H CYS A 4 38.147 19.970 -3.768 1.00 0.00 H new ATOM 0 HA CYS A 4 39.234 17.247 -3.647 1.00 0.00 H new ATOM 0 HB2 CYS A 4 39.851 19.846 -2.248 1.00 0.00 H new ATOM 0 HB3 CYS A 4 40.849 18.406 -2.199 1.00 0.00 H new ATOM 63 N PRO A 5 39.118 16.992 -0.922 1.00 0.00 N ATOM 64 CA PRO A 5 38.890 16.934 0.530 1.00 0.00 C ATOM 65 C PRO A 5 39.582 18.087 1.283 1.00 0.00 C ATOM 66 O PRO A 5 40.311 18.850 0.675 1.00 0.00 O ATOM 67 CB PRO A 5 39.521 15.590 0.947 1.00 0.00 C ATOM 68 CG PRO A 5 40.153 15.017 -0.289 1.00 0.00 C ATOM 69 CD PRO A 5 40.274 16.152 -1.268 1.00 0.00 C ATOM 0 HA PRO A 5 37.830 17.022 0.769 1.00 0.00 H new ATOM 0 HB2 PRO A 5 40.264 15.736 1.731 1.00 0.00 H new ATOM 0 HB3 PRO A 5 38.765 14.913 1.346 1.00 0.00 H new ATOM 0 HG2 PRO A 5 41.131 14.592 -0.064 1.00 0.00 H new ATOM 0 HG3 PRO A 5 39.543 14.213 -0.700 1.00 0.00 H new ATOM 0 HD2 PRO A 5 41.215 16.689 -1.153 1.00 0.00 H new ATOM 0 HD3 PRO A 5 40.229 15.805 -2.300 1.00 0.00 H new ATOM 77 N PRO A 6 39.339 18.176 2.570 1.00 0.00 N ATOM 78 CA PRO A 6 39.989 19.154 3.470 1.00 0.00 C ATOM 79 C PRO A 6 41.515 19.169 3.349 1.00 0.00 C ATOM 80 O PRO A 6 42.122 18.120 3.249 1.00 0.00 O ATOM 81 CB PRO A 6 39.590 18.656 4.876 1.00 0.00 C ATOM 82 CG PRO A 6 39.092 17.267 4.649 1.00 0.00 C ATOM 83 CD PRO A 6 38.399 17.344 3.347 1.00 0.00 C ATOM 0 HA PRO A 6 39.676 20.172 3.237 1.00 0.00 H new ATOM 0 HB2 PRO A 6 40.440 18.667 5.558 1.00 0.00 H new ATOM 0 HB3 PRO A 6 38.819 19.288 5.318 1.00 0.00 H new ATOM 0 HG2 PRO A 6 39.911 16.549 4.623 1.00 0.00 H new ATOM 0 HG3 PRO A 6 38.416 16.951 5.443 1.00 0.00 H new ATOM 0 HD2 PRO A 6 38.253 16.361 2.900 1.00 0.00 H new ATOM 0 HD3 PRO A 6 37.415 17.805 3.431 1.00 0.00 H new ATOM 91 N GLY A 7 42.063 20.356 3.364 1.00 0.00 N ATOM 92 CA GLY A 7 43.545 20.525 3.255 1.00 0.00 C ATOM 93 C GLY A 7 44.041 20.575 1.803 1.00 0.00 C ATOM 94 O GLY A 7 45.078 21.149 1.535 1.00 0.00 O ATOM 0 H GLY A 7 41.540 21.228 3.448 1.00 0.00 H new ATOM 0 HA2 GLY A 7 43.838 21.443 3.764 1.00 0.00 H new ATOM 0 HA3 GLY A 7 44.037 19.702 3.773 1.00 0.00 H new ATOM 98 N GLN A 8 43.295 19.977 0.908 1.00 0.00 N ATOM 99 CA GLN A 8 43.671 19.957 -0.530 1.00 0.00 C ATOM 100 C GLN A 8 42.727 20.910 -1.265 1.00 0.00 C ATOM 101 O GLN A 8 41.599 21.119 -0.858 1.00 0.00 O ATOM 102 CB GLN A 8 43.513 18.533 -1.123 1.00 0.00 C ATOM 103 CG GLN A 8 44.370 17.440 -0.430 1.00 0.00 C ATOM 104 CD GLN A 8 43.905 17.175 1.012 1.00 0.00 C ATOM 105 OE1 GLN A 8 42.862 16.417 1.206 1.00 0.00 O flip ATOM 106 NE2 GLN A 8 44.476 17.647 1.975 1.00 0.00 N flip ATOM 0 H GLN A 8 42.423 19.493 1.123 1.00 0.00 H new ATOM 0 HA GLN A 8 44.712 20.259 -0.642 1.00 0.00 H new ATOM 0 HB2 GLN A 8 42.464 18.244 -1.063 1.00 0.00 H new ATOM 0 HB3 GLN A 8 43.775 18.564 -2.181 1.00 0.00 H new ATOM 0 HG2 GLN A 8 44.314 16.516 -1.005 1.00 0.00 H new ATOM 0 HG3 GLN A 8 45.415 17.748 -0.423 1.00 0.00 H new ATOM 0 HE21 GLN A 8 45.294 18.242 1.842 1.00 0.00 H new ATOM 0 HE22 GLN A 8 44.138 17.448 2.917 1.00 0.00 H new ATOM 115 N THR A 9 43.241 21.453 -2.332 1.00 0.00 N ATOM 116 CA THR A 9 42.479 22.413 -3.188 1.00 0.00 C ATOM 117 C THR A 9 42.818 22.104 -4.648 1.00 0.00 C ATOM 118 O THR A 9 43.471 21.118 -4.929 1.00 0.00 O ATOM 119 CB THR A 9 42.912 23.828 -2.756 1.00 0.00 C ATOM 120 OG1 THR A 9 42.241 24.754 -3.598 1.00 0.00 O ATOM 121 CG2 THR A 9 44.411 24.044 -2.999 1.00 0.00 C ATOM 0 H THR A 9 44.189 21.266 -2.659 1.00 0.00 H new ATOM 0 HA THR A 9 41.397 22.334 -3.080 1.00 0.00 H new ATOM 0 HB THR A 9 42.682 23.956 -1.698 1.00 0.00 H new ATOM 0 HG1 THR A 9 42.494 25.667 -3.347 1.00 0.00 H new ATOM 0 HG21 THR A 9 44.689 25.050 -2.685 1.00 0.00 H new ATOM 0 HG22 THR A 9 44.982 23.314 -2.425 1.00 0.00 H new ATOM 0 HG23 THR A 9 44.629 23.921 -4.060 1.00 0.00 H new ATOM 129 N PHE A 10 42.378 22.945 -5.546 1.00 0.00 N ATOM 130 CA PHE A 10 42.674 22.699 -6.989 1.00 0.00 C ATOM 131 C PHE A 10 44.202 22.786 -7.173 1.00 0.00 C ATOM 132 O PHE A 10 44.915 23.153 -6.258 1.00 0.00 O ATOM 133 CB PHE A 10 41.947 23.761 -7.825 1.00 0.00 C ATOM 134 CG PHE A 10 42.017 23.372 -9.307 1.00 0.00 C ATOM 135 CD1 PHE A 10 41.200 22.352 -9.761 1.00 0.00 C ATOM 136 CD2 PHE A 10 42.863 24.011 -10.197 1.00 0.00 C ATOM 137 CE1 PHE A 10 41.225 21.973 -11.081 1.00 0.00 C ATOM 138 CE2 PHE A 10 42.886 23.630 -11.522 1.00 0.00 C ATOM 139 CZ PHE A 10 42.066 22.612 -11.959 1.00 0.00 C ATOM 0 H PHE A 10 41.832 23.783 -5.347 1.00 0.00 H new ATOM 0 HA PHE A 10 42.331 21.717 -7.314 1.00 0.00 H new ATOM 0 HB2 PHE A 10 40.908 23.842 -7.507 1.00 0.00 H new ATOM 0 HB3 PHE A 10 42.405 24.738 -7.671 1.00 0.00 H new ATOM 0 HD1 PHE A 10 40.537 21.850 -9.072 1.00 0.00 H new ATOM 0 HD2 PHE A 10 43.505 24.808 -9.853 1.00 0.00 H new ATOM 0 HE1 PHE A 10 40.585 21.175 -11.427 1.00 0.00 H new ATOM 0 HE2 PHE A 10 43.546 24.129 -12.217 1.00 0.00 H new ATOM 0 HZ PHE A 10 42.085 22.315 -12.997 1.00 0.00 H new ATOM 149 N GLN A 11 44.680 22.456 -8.342 1.00 0.00 N ATOM 150 CA GLN A 11 46.151 22.509 -8.573 1.00 0.00 C ATOM 151 C GLN A 11 46.312 22.467 -10.102 1.00 0.00 C ATOM 152 O GLN A 11 45.908 21.499 -10.720 1.00 0.00 O ATOM 153 CB GLN A 11 46.762 21.264 -7.878 1.00 0.00 C ATOM 154 CG GLN A 11 48.282 21.347 -7.724 1.00 0.00 C ATOM 155 CD GLN A 11 48.680 22.435 -6.707 1.00 0.00 C ATOM 156 OE1 GLN A 11 48.014 22.581 -5.587 1.00 0.00 O flip ATOM 157 NE2 GLN A 11 49.622 23.171 -6.923 1.00 0.00 N flip ATOM 0 H GLN A 11 44.121 22.155 -9.140 1.00 0.00 H new ATOM 0 HA GLN A 11 46.650 23.392 -8.174 1.00 0.00 H new ATOM 0 HB2 GLN A 11 46.309 21.146 -6.894 1.00 0.00 H new ATOM 0 HB3 GLN A 11 46.509 20.374 -8.454 1.00 0.00 H new ATOM 0 HG2 GLN A 11 48.671 20.382 -7.399 1.00 0.00 H new ATOM 0 HG3 GLN A 11 48.737 21.565 -8.690 1.00 0.00 H new ATOM 0 HE21 GLN A 11 50.155 23.076 -7.787 1.00 0.00 H new ATOM 0 HE22 GLN A 11 49.880 23.883 -6.240 1.00 0.00 H new ATOM 166 N THR A 12 46.886 23.496 -10.678 1.00 0.00 N ATOM 167 CA THR A 12 47.063 23.505 -12.163 1.00 0.00 C ATOM 168 C THR A 12 48.272 22.644 -12.562 1.00 0.00 C ATOM 169 O THR A 12 48.126 21.770 -13.396 1.00 0.00 O ATOM 170 CB THR A 12 47.218 24.991 -12.618 1.00 0.00 C ATOM 171 OG1 THR A 12 47.399 24.918 -14.026 1.00 0.00 O ATOM 172 CG2 THR A 12 48.482 25.693 -12.103 1.00 0.00 C ATOM 0 H THR A 12 47.236 24.321 -10.190 1.00 0.00 H new ATOM 0 HA THR A 12 46.197 23.070 -12.662 1.00 0.00 H new ATOM 0 HB THR A 12 46.354 25.544 -12.249 1.00 0.00 H new ATOM 0 HG1 THR A 12 47.503 25.822 -14.390 1.00 0.00 H new ATOM 0 HG21 THR A 12 48.503 26.719 -12.470 1.00 0.00 H new ATOM 0 HG22 THR A 12 48.477 25.697 -11.013 1.00 0.00 H new ATOM 0 HG23 THR A 12 49.364 25.162 -12.460 1.00 0.00 H new ATOM 180 N CYS A 13 49.416 22.897 -11.970 1.00 0.00 N ATOM 181 CA CYS A 13 50.629 22.093 -12.306 1.00 0.00 C ATOM 182 C CYS A 13 51.087 21.144 -11.210 1.00 0.00 C ATOM 183 O CYS A 13 51.788 21.491 -10.281 1.00 0.00 O ATOM 184 CB CYS A 13 51.808 23.016 -12.683 1.00 0.00 C ATOM 185 SG CYS A 13 51.761 23.658 -14.373 1.00 0.00 S ATOM 0 H CYS A 13 49.559 23.625 -11.270 1.00 0.00 H new ATOM 0 HA CYS A 13 50.325 21.476 -13.152 1.00 0.00 H new ATOM 0 HB2 CYS A 13 51.828 23.857 -11.990 1.00 0.00 H new ATOM 0 HB3 CYS A 13 52.739 22.467 -12.544 1.00 0.00 H new ATOM 190 N ALA A 14 50.621 19.944 -11.411 1.00 0.00 N ATOM 191 CA ALA A 14 50.891 18.778 -10.527 1.00 0.00 C ATOM 192 C ALA A 14 50.558 17.584 -11.429 1.00 0.00 C ATOM 193 O ALA A 14 50.824 17.628 -12.615 1.00 0.00 O ATOM 194 CB ALA A 14 49.964 18.858 -9.301 1.00 0.00 C ATOM 0 H ALA A 14 50.025 19.713 -12.206 1.00 0.00 H new ATOM 0 HA ALA A 14 51.907 18.720 -10.135 1.00 0.00 H new ATOM 0 HB1 ALA A 14 50.153 18.008 -8.646 1.00 0.00 H new ATOM 0 HB2 ALA A 14 50.157 19.784 -8.759 1.00 0.00 H new ATOM 0 HB3 ALA A 14 48.925 18.839 -9.629 1.00 0.00 H new ATOM 200 N SER A 15 49.990 16.552 -10.868 1.00 0.00 N ATOM 201 CA SER A 15 49.629 15.356 -11.685 1.00 0.00 C ATOM 202 C SER A 15 48.852 14.421 -10.757 1.00 0.00 C ATOM 203 O SER A 15 48.333 14.869 -9.752 1.00 0.00 O ATOM 204 CB SER A 15 50.919 14.679 -12.198 1.00 0.00 C ATOM 205 OG SER A 15 50.498 13.671 -13.104 1.00 0.00 O ATOM 0 H SER A 15 49.759 16.484 -9.877 1.00 0.00 H new ATOM 0 HA SER A 15 49.027 15.619 -12.555 1.00 0.00 H new ATOM 0 HB2 SER A 15 51.569 15.401 -12.692 1.00 0.00 H new ATOM 0 HB3 SER A 15 51.489 14.250 -11.374 1.00 0.00 H new ATOM 0 HG SER A 15 49.611 13.896 -13.454 1.00 0.00 H new ATOM 211 N SER A 16 48.781 13.154 -11.098 1.00 0.00 N ATOM 212 CA SER A 16 48.049 12.181 -10.231 1.00 0.00 C ATOM 213 C SER A 16 48.762 12.158 -8.845 1.00 0.00 C ATOM 214 O SER A 16 48.265 11.615 -7.877 1.00 0.00 O ATOM 215 CB SER A 16 48.103 10.797 -10.900 1.00 0.00 C ATOM 216 OG SER A 16 47.371 9.946 -10.029 1.00 0.00 O ATOM 0 H SER A 16 49.199 12.755 -11.939 1.00 0.00 H new ATOM 0 HA SER A 16 47.004 12.461 -10.097 1.00 0.00 H new ATOM 0 HB2 SER A 16 47.659 10.821 -11.895 1.00 0.00 H new ATOM 0 HB3 SER A 16 49.131 10.454 -11.017 1.00 0.00 H new ATOM 0 HG SER A 16 47.360 9.036 -10.394 1.00 0.00 H new ATOM 222 N CYS A 17 49.922 12.773 -8.850 1.00 0.00 N ATOM 223 CA CYS A 17 50.851 12.938 -7.697 1.00 0.00 C ATOM 224 C CYS A 17 50.937 14.427 -7.222 1.00 0.00 C ATOM 225 O CYS A 17 51.817 15.164 -7.623 1.00 0.00 O ATOM 226 CB CYS A 17 52.198 12.329 -8.218 1.00 0.00 C ATOM 227 SG CYS A 17 52.666 12.650 -9.942 1.00 0.00 S ATOM 0 H CYS A 17 50.287 13.206 -9.698 1.00 0.00 H new ATOM 0 HA CYS A 17 50.523 12.428 -6.791 1.00 0.00 H new ATOM 0 HB2 CYS A 17 53.001 12.698 -7.580 1.00 0.00 H new ATOM 0 HB3 CYS A 17 52.152 11.249 -8.080 1.00 0.00 H new ATOM 232 N PRO A 18 49.993 14.825 -6.386 1.00 0.00 N ATOM 233 CA PRO A 18 50.112 15.951 -5.409 1.00 0.00 C ATOM 234 C PRO A 18 51.198 15.798 -4.330 1.00 0.00 C ATOM 235 O PRO A 18 51.258 14.752 -3.713 1.00 0.00 O ATOM 236 CB PRO A 18 48.771 15.889 -4.661 1.00 0.00 C ATOM 237 CG PRO A 18 47.838 15.327 -5.647 1.00 0.00 C ATOM 238 CD PRO A 18 48.639 14.236 -6.291 1.00 0.00 C ATOM 0 HA PRO A 18 50.363 16.861 -5.954 1.00 0.00 H new ATOM 0 HB2 PRO A 18 48.838 15.261 -3.773 1.00 0.00 H new ATOM 0 HB3 PRO A 18 48.453 16.877 -4.329 1.00 0.00 H new ATOM 0 HG2 PRO A 18 46.936 14.939 -5.173 1.00 0.00 H new ATOM 0 HG3 PRO A 18 47.520 16.075 -6.373 1.00 0.00 H new ATOM 0 HD2 PRO A 18 48.636 13.326 -5.691 1.00 0.00 H new ATOM 0 HD3 PRO A 18 48.245 13.972 -7.272 1.00 0.00 H new ATOM 246 N LYS A 19 51.999 16.825 -4.131 1.00 0.00 N ATOM 247 CA LYS A 19 53.083 16.768 -3.096 1.00 0.00 C ATOM 248 C LYS A 19 52.535 16.399 -1.738 1.00 0.00 C ATOM 249 O LYS A 19 51.389 16.629 -1.400 1.00 0.00 O ATOM 250 CB LYS A 19 53.814 18.123 -2.928 1.00 0.00 C ATOM 251 CG LYS A 19 52.951 19.311 -2.465 1.00 0.00 C ATOM 252 CD LYS A 19 51.822 19.633 -3.448 1.00 0.00 C ATOM 253 CE LYS A 19 51.254 20.991 -3.059 1.00 0.00 C ATOM 254 NZ LYS A 19 50.169 21.373 -4.002 1.00 0.00 N ATOM 0 H LYS A 19 51.946 17.704 -4.646 1.00 0.00 H new ATOM 0 HA LYS A 19 53.779 16.010 -3.456 1.00 0.00 H new ATOM 0 HB2 LYS A 19 54.624 17.988 -2.211 1.00 0.00 H new ATOM 0 HB3 LYS A 19 54.273 18.385 -3.881 1.00 0.00 H new ATOM 0 HG2 LYS A 19 52.524 19.087 -1.487 1.00 0.00 H new ATOM 0 HG3 LYS A 19 53.584 20.190 -2.343 1.00 0.00 H new ATOM 0 HD2 LYS A 19 52.198 19.653 -4.471 1.00 0.00 H new ATOM 0 HD3 LYS A 19 51.048 18.867 -3.408 1.00 0.00 H new ATOM 0 HE2 LYS A 19 50.867 20.955 -2.041 1.00 0.00 H new ATOM 0 HE3 LYS A 19 52.043 21.743 -3.074 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 49.423 21.882 -3.486 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 50.556 21.988 -4.746 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 49.768 20.517 -4.435 1.00 0.00 H new ATOM 268 N THR A 20 53.446 15.822 -1.017 1.00 0.00 N ATOM 269 CA THR A 20 53.161 15.360 0.358 1.00 0.00 C ATOM 270 C THR A 20 54.423 15.541 1.206 1.00 0.00 C ATOM 271 O THR A 20 55.452 15.968 0.714 1.00 0.00 O ATOM 272 CB THR A 20 52.768 13.869 0.340 1.00 0.00 C ATOM 273 OG1 THR A 20 53.944 13.180 -0.056 1.00 0.00 O ATOM 274 CG2 THR A 20 51.812 13.493 -0.824 1.00 0.00 C ATOM 0 H THR A 20 54.400 15.648 -1.333 1.00 0.00 H new ATOM 0 HA THR A 20 52.338 15.939 0.777 1.00 0.00 H new ATOM 0 HB THR A 20 52.323 13.641 1.308 1.00 0.00 H new ATOM 0 HG1 THR A 20 53.731 12.562 -0.786 1.00 0.00 H new ATOM 0 HG21 THR A 20 51.578 12.430 -0.774 1.00 0.00 H new ATOM 0 HG22 THR A 20 50.892 14.071 -0.740 1.00 0.00 H new ATOM 0 HG23 THR A 20 52.294 13.714 -1.776 1.00 0.00 H new ATOM 282 N CYS A 21 54.290 15.208 2.464 1.00 0.00 N ATOM 283 CA CYS A 21 55.432 15.324 3.421 1.00 0.00 C ATOM 284 C CYS A 21 56.626 14.506 2.896 1.00 0.00 C ATOM 285 O CYS A 21 57.757 14.697 3.295 1.00 0.00 O ATOM 286 CB CYS A 21 54.950 14.810 4.767 1.00 0.00 C ATOM 287 SG CYS A 21 53.581 15.696 5.558 1.00 0.00 S ATOM 0 H CYS A 21 53.426 14.855 2.875 1.00 0.00 H new ATOM 0 HA CYS A 21 55.765 16.357 3.525 1.00 0.00 H new ATOM 0 HB2 CYS A 21 54.650 13.770 4.642 1.00 0.00 H new ATOM 0 HB3 CYS A 21 55.797 14.818 5.453 1.00 0.00 H new ATOM 292 N GLU A 22 56.305 13.601 2.008 1.00 0.00 N ATOM 293 CA GLU A 22 57.333 12.723 1.378 1.00 0.00 C ATOM 294 C GLU A 22 58.341 13.602 0.606 1.00 0.00 C ATOM 295 O GLU A 22 59.529 13.491 0.838 1.00 0.00 O ATOM 296 CB GLU A 22 56.623 11.745 0.421 1.00 0.00 C ATOM 297 CG GLU A 22 57.628 10.788 -0.265 1.00 0.00 C ATOM 298 CD GLU A 22 58.377 9.955 0.790 1.00 0.00 C ATOM 299 OE1 GLU A 22 57.793 8.976 1.226 1.00 0.00 O ATOM 300 OE2 GLU A 22 59.491 10.347 1.101 1.00 0.00 O ATOM 0 H GLU A 22 55.352 13.431 1.687 1.00 0.00 H new ATOM 0 HA GLU A 22 57.872 12.155 2.136 1.00 0.00 H new ATOM 0 HB2 GLU A 22 55.886 11.163 0.975 1.00 0.00 H new ATOM 0 HB3 GLU A 22 56.080 12.308 -0.338 1.00 0.00 H new ATOM 0 HG2 GLU A 22 57.100 10.127 -0.952 1.00 0.00 H new ATOM 0 HG3 GLU A 22 58.340 11.362 -0.858 1.00 0.00 H new ATOM 307 N THR A 23 57.853 14.445 -0.283 1.00 0.00 N ATOM 308 CA THR A 23 58.787 15.321 -1.059 1.00 0.00 C ATOM 309 C THR A 23 59.203 16.594 -0.299 1.00 0.00 C ATOM 310 O THR A 23 60.348 16.664 0.103 1.00 0.00 O ATOM 311 CB THR A 23 58.092 15.646 -2.447 1.00 0.00 C ATOM 312 OG1 THR A 23 58.998 16.512 -3.120 1.00 0.00 O ATOM 313 CG2 THR A 23 56.775 16.440 -2.408 1.00 0.00 C ATOM 0 H THR A 23 56.863 14.560 -0.499 1.00 0.00 H new ATOM 0 HA THR A 23 59.726 14.792 -1.221 1.00 0.00 H new ATOM 0 HB THR A 23 57.862 14.680 -2.896 1.00 0.00 H new ATOM 0 HG1 THR A 23 58.630 16.755 -3.995 1.00 0.00 H new ATOM 0 HG21 THR A 23 56.411 16.591 -3.424 1.00 0.00 H new ATOM 0 HG22 THR A 23 56.032 15.885 -1.835 1.00 0.00 H new ATOM 0 HG23 THR A 23 56.947 17.408 -1.937 1.00 0.00 H new ATOM 321 N ARG A 24 58.311 17.542 -0.107 1.00 0.00 N ATOM 322 CA ARG A 24 58.599 18.842 0.613 1.00 0.00 C ATOM 323 C ARG A 24 59.558 19.753 -0.188 1.00 0.00 C ATOM 324 O ARG A 24 59.593 20.955 -0.006 1.00 0.00 O ATOM 325 CB ARG A 24 59.251 18.595 1.989 1.00 0.00 C ATOM 326 CG ARG A 24 58.353 17.719 2.857 1.00 0.00 C ATOM 327 CD ARG A 24 59.037 17.547 4.225 1.00 0.00 C ATOM 328 NE ARG A 24 58.185 16.697 5.113 1.00 0.00 N ATOM 329 CZ ARG A 24 58.404 16.645 6.406 1.00 0.00 C ATOM 330 NH1 ARG A 24 59.367 17.342 6.947 1.00 0.00 N ATOM 331 NH2 ARG A 24 57.642 15.879 7.135 1.00 0.00 N ATOM 0 H ARG A 24 57.348 17.467 -0.434 1.00 0.00 H new ATOM 0 HA ARG A 24 57.631 19.330 0.728 1.00 0.00 H new ATOM 0 HB2 ARG A 24 60.220 18.114 1.857 1.00 0.00 H new ATOM 0 HB3 ARG A 24 59.432 19.547 2.488 1.00 0.00 H new ATOM 0 HG2 ARG A 24 57.372 18.179 2.976 1.00 0.00 H new ATOM 0 HG3 ARG A 24 58.195 16.749 2.385 1.00 0.00 H new ATOM 0 HD2 ARG A 24 60.017 17.087 4.097 1.00 0.00 H new ATOM 0 HD3 ARG A 24 59.200 18.521 4.686 1.00 0.00 H new ATOM 0 HE ARG A 24 57.424 16.151 4.709 1.00 0.00 H new ATOM 0 HH11 ARG A 24 59.958 17.934 6.363 1.00 0.00 H new ATOM 0 HH12 ARG A 24 59.528 17.294 7.953 1.00 0.00 H new ATOM 0 HH21 ARG A 24 56.896 15.338 6.698 1.00 0.00 H new ATOM 0 HH22 ARG A 24 57.792 15.821 8.142 1.00 0.00 H new ATOM 345 N ASN A 25 60.302 19.118 -1.051 1.00 0.00 N ATOM 346 CA ASN A 25 61.311 19.745 -1.947 1.00 0.00 C ATOM 347 C ASN A 25 60.697 20.613 -3.042 1.00 0.00 C ATOM 348 O ASN A 25 61.376 21.392 -3.684 1.00 0.00 O ATOM 349 CB ASN A 25 62.117 18.607 -2.586 1.00 0.00 C ATOM 350 CG ASN A 25 62.947 17.870 -1.528 1.00 0.00 C ATOM 351 OD1 ASN A 25 63.814 18.436 -0.892 1.00 0.00 O ATOM 352 ND2 ASN A 25 62.712 16.605 -1.309 1.00 0.00 N ATOM 0 H ASN A 25 60.241 18.108 -1.176 1.00 0.00 H new ATOM 0 HA ASN A 25 61.933 20.412 -1.350 1.00 0.00 H new ATOM 0 HB2 ASN A 25 61.441 17.907 -3.077 1.00 0.00 H new ATOM 0 HB3 ASN A 25 62.775 19.009 -3.357 1.00 0.00 H new ATOM 0 HD21 ASN A 25 63.254 16.099 -0.609 1.00 0.00 H new ATOM 0 HD22 ASN A 25 61.986 16.122 -1.838 1.00 0.00 H new ATOM 359 N LYS A 26 59.416 20.435 -3.207 1.00 0.00 N ATOM 360 CA LYS A 26 58.635 21.170 -4.233 1.00 0.00 C ATOM 361 C LYS A 26 57.140 21.047 -3.926 1.00 0.00 C ATOM 362 O LYS A 26 56.712 20.119 -3.264 1.00 0.00 O ATOM 363 CB LYS A 26 59.060 20.541 -5.602 1.00 0.00 C ATOM 364 CG LYS A 26 59.107 18.983 -5.438 1.00 0.00 C ATOM 365 CD LYS A 26 59.570 18.245 -6.700 1.00 0.00 C ATOM 366 CE LYS A 26 60.973 18.706 -7.143 1.00 0.00 C ATOM 367 NZ LYS A 26 61.389 17.952 -8.358 1.00 0.00 N ATOM 0 H LYS A 26 58.861 19.785 -2.650 1.00 0.00 H new ATOM 0 HA LYS A 26 58.831 22.242 -4.252 1.00 0.00 H new ATOM 0 HB2 LYS A 26 58.352 20.819 -6.383 1.00 0.00 H new ATOM 0 HB3 LYS A 26 60.036 20.920 -5.907 1.00 0.00 H new ATOM 0 HG2 LYS A 26 59.777 18.733 -4.615 1.00 0.00 H new ATOM 0 HG3 LYS A 26 58.115 18.625 -5.162 1.00 0.00 H new ATOM 0 HD2 LYS A 26 59.582 17.172 -6.511 1.00 0.00 H new ATOM 0 HD3 LYS A 26 58.857 18.419 -7.506 1.00 0.00 H new ATOM 0 HE2 LYS A 26 60.966 19.776 -7.352 1.00 0.00 H new ATOM 0 HE3 LYS A 26 61.691 18.543 -6.339 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 62.134 18.480 -8.856 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 61.754 17.019 -8.079 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 60.571 17.830 -8.988 1.00 0.00 H new ATOM 381 N LEU A 27 56.397 22.004 -4.425 1.00 0.00 N ATOM 382 CA LEU A 27 54.914 22.040 -4.217 1.00 0.00 C ATOM 383 C LEU A 27 54.139 21.142 -5.193 1.00 0.00 C ATOM 384 O LEU A 27 53.061 21.457 -5.663 1.00 0.00 O ATOM 385 CB LEU A 27 54.421 23.511 -4.345 1.00 0.00 C ATOM 386 CG LEU A 27 54.912 24.448 -3.189 1.00 0.00 C ATOM 387 CD1 LEU A 27 56.452 24.574 -3.103 1.00 0.00 C ATOM 388 CD2 LEU A 27 54.318 25.855 -3.412 1.00 0.00 C ATOM 0 H LEU A 27 56.763 22.778 -4.979 1.00 0.00 H new ATOM 0 HA LEU A 27 54.717 21.648 -3.219 1.00 0.00 H new ATOM 0 HB2 LEU A 27 54.762 23.916 -5.298 1.00 0.00 H new ATOM 0 HB3 LEU A 27 53.331 23.518 -4.367 1.00 0.00 H new ATOM 0 HG LEU A 27 54.576 24.001 -2.253 1.00 0.00 H new ATOM 0 HD11 LEU A 27 56.717 25.238 -2.280 1.00 0.00 H new ATOM 0 HD12 LEU A 27 56.889 23.590 -2.931 1.00 0.00 H new ATOM 0 HD13 LEU A 27 56.836 24.983 -4.037 1.00 0.00 H new ATOM 0 HD21 LEU A 27 54.650 26.521 -2.615 1.00 0.00 H new ATOM 0 HD22 LEU A 27 54.654 26.244 -4.373 1.00 0.00 H new ATOM 0 HD23 LEU A 27 53.230 25.796 -3.405 1.00 0.00 H new ATOM 400 N VAL A 28 54.771 20.031 -5.438 1.00 0.00 N ATOM 401 CA VAL A 28 54.282 18.943 -6.343 1.00 0.00 C ATOM 402 C VAL A 28 55.022 17.648 -6.003 1.00 0.00 C ATOM 403 O VAL A 28 56.183 17.678 -5.649 1.00 0.00 O ATOM 404 CB VAL A 28 54.556 19.254 -7.834 1.00 0.00 C ATOM 405 CG1 VAL A 28 53.743 20.456 -8.333 1.00 0.00 C ATOM 406 CG2 VAL A 28 56.055 19.569 -8.046 1.00 0.00 C ATOM 0 H VAL A 28 55.675 19.816 -5.016 1.00 0.00 H new ATOM 0 HA VAL A 28 53.206 18.855 -6.194 1.00 0.00 H new ATOM 0 HB VAL A 28 54.261 18.369 -8.398 1.00 0.00 H new ATOM 0 HG11 VAL A 28 53.968 20.636 -9.384 1.00 0.00 H new ATOM 0 HG12 VAL A 28 52.679 20.248 -8.220 1.00 0.00 H new ATOM 0 HG13 VAL A 28 54.004 21.339 -7.749 1.00 0.00 H new ATOM 0 HG21 VAL A 28 56.236 19.786 -9.099 1.00 0.00 H new ATOM 0 HG22 VAL A 28 56.334 20.434 -7.444 1.00 0.00 H new ATOM 0 HG23 VAL A 28 56.654 18.709 -7.745 1.00 0.00 H new ATOM 416 N LEU A 29 54.338 16.544 -6.116 1.00 0.00 N ATOM 417 CA LEU A 29 54.990 15.229 -5.809 1.00 0.00 C ATOM 418 C LEU A 29 55.753 14.802 -7.078 1.00 0.00 C ATOM 419 O LEU A 29 56.540 13.875 -7.074 1.00 0.00 O ATOM 420 CB LEU A 29 53.875 14.267 -5.456 1.00 0.00 C ATOM 421 CG LEU A 29 54.293 12.916 -4.862 1.00 0.00 C ATOM 422 CD1 LEU A 29 54.995 13.171 -3.507 1.00 0.00 C ATOM 423 CD2 LEU A 29 52.986 12.117 -4.602 1.00 0.00 C ATOM 0 H LEU A 29 53.361 16.489 -6.405 1.00 0.00 H new ATOM 0 HA LEU A 29 55.696 15.266 -4.979 1.00 0.00 H new ATOM 0 HB2 LEU A 29 53.212 14.761 -4.745 1.00 0.00 H new ATOM 0 HB3 LEU A 29 53.292 14.077 -6.357 1.00 0.00 H new ATOM 0 HG LEU A 29 54.964 12.375 -5.529 1.00 0.00 H new ATOM 0 HD11 LEU A 29 55.299 12.220 -3.070 1.00 0.00 H new ATOM 0 HD12 LEU A 29 55.874 13.796 -3.665 1.00 0.00 H new ATOM 0 HD13 LEU A 29 54.307 13.677 -2.830 1.00 0.00 H new ATOM 0 HD21 LEU A 29 53.233 11.144 -4.177 1.00 0.00 H new ATOM 0 HD22 LEU A 29 52.355 12.668 -3.904 1.00 0.00 H new ATOM 0 HD23 LEU A 29 52.452 11.978 -5.542 1.00 0.00 H new ATOM 435 N CYS A 30 55.462 15.534 -8.124 1.00 0.00 N ATOM 436 CA CYS A 30 56.046 15.350 -9.476 1.00 0.00 C ATOM 437 C CYS A 30 55.929 16.692 -10.195 1.00 0.00 C ATOM 438 O CYS A 30 54.861 17.249 -10.359 1.00 0.00 O ATOM 439 CB CYS A 30 55.267 14.283 -10.176 1.00 0.00 C ATOM 440 SG CYS A 30 53.469 14.489 -10.186 1.00 0.00 S ATOM 0 H CYS A 30 54.794 16.304 -8.082 1.00 0.00 H new ATOM 0 HA CYS A 30 57.092 15.045 -9.446 1.00 0.00 H new ATOM 0 HB2 CYS A 30 55.612 14.227 -11.208 1.00 0.00 H new ATOM 0 HB3 CYS A 30 55.500 13.326 -9.710 1.00 0.00 H new ATOM 445 N ASP A 31 57.076 17.145 -10.603 1.00 0.00 N ATOM 446 CA ASP A 31 57.212 18.454 -11.323 1.00 0.00 C ATOM 447 C ASP A 31 57.119 18.384 -12.850 1.00 0.00 C ATOM 448 O ASP A 31 56.728 19.344 -13.487 1.00 0.00 O ATOM 449 CB ASP A 31 58.560 19.070 -10.915 1.00 0.00 C ATOM 450 CG ASP A 31 59.718 18.156 -11.368 1.00 0.00 C ATOM 451 OD1 ASP A 31 59.945 17.171 -10.684 1.00 0.00 O ATOM 452 OD2 ASP A 31 60.310 18.497 -12.378 1.00 0.00 O ATOM 0 H ASP A 31 57.958 16.652 -10.466 1.00 0.00 H new ATOM 0 HA ASP A 31 56.358 19.063 -11.027 1.00 0.00 H new ATOM 0 HB2 ASP A 31 58.668 20.057 -11.364 1.00 0.00 H new ATOM 0 HB3 ASP A 31 58.595 19.206 -9.834 1.00 0.00 H new ATOM 457 N LYS A 32 57.486 17.253 -13.383 1.00 0.00 N ATOM 458 CA LYS A 32 57.453 17.042 -14.869 1.00 0.00 C ATOM 459 C LYS A 32 56.038 16.811 -15.456 1.00 0.00 C ATOM 460 O LYS A 32 55.876 16.051 -16.394 1.00 0.00 O ATOM 461 CB LYS A 32 58.373 15.838 -15.186 1.00 0.00 C ATOM 462 CG LYS A 32 59.815 16.152 -14.708 1.00 0.00 C ATOM 463 CD LYS A 32 60.793 15.003 -15.051 1.00 0.00 C ATOM 464 CE LYS A 32 60.393 13.694 -14.342 1.00 0.00 C ATOM 465 NZ LYS A 32 61.377 12.626 -14.673 1.00 0.00 N ATOM 0 H LYS A 32 57.814 16.449 -12.848 1.00 0.00 H new ATOM 0 HA LYS A 32 57.800 17.960 -15.343 1.00 0.00 H new ATOM 0 HB2 LYS A 32 58.001 14.941 -14.690 1.00 0.00 H new ATOM 0 HB3 LYS A 32 58.369 15.635 -16.257 1.00 0.00 H new ATOM 0 HG2 LYS A 32 60.160 17.075 -15.174 1.00 0.00 H new ATOM 0 HG3 LYS A 32 59.813 16.319 -13.631 1.00 0.00 H new ATOM 0 HD2 LYS A 32 60.807 14.845 -16.129 1.00 0.00 H new ATOM 0 HD3 LYS A 32 61.804 15.284 -14.757 1.00 0.00 H new ATOM 0 HE2 LYS A 32 60.358 13.849 -13.264 1.00 0.00 H new ATOM 0 HE3 LYS A 32 59.393 13.391 -14.653 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 61.106 11.744 -14.194 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 61.389 12.472 -15.701 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 62.324 12.916 -14.355 1.00 0.00 H new ATOM 479 N LYS A 33 55.052 17.470 -14.897 1.00 0.00 N ATOM 480 CA LYS A 33 53.640 17.326 -15.387 1.00 0.00 C ATOM 481 C LYS A 33 52.750 18.411 -14.785 1.00 0.00 C ATOM 482 O LYS A 33 53.004 18.910 -13.705 1.00 0.00 O ATOM 483 CB LYS A 33 53.101 15.932 -14.986 1.00 0.00 C ATOM 484 CG LYS A 33 51.653 15.677 -15.506 1.00 0.00 C ATOM 485 CD LYS A 33 51.553 15.746 -17.056 1.00 0.00 C ATOM 486 CE LYS A 33 52.449 14.675 -17.715 1.00 0.00 C ATOM 487 NZ LYS A 33 52.319 14.752 -19.197 1.00 0.00 N ATOM 0 H LYS A 33 55.165 18.111 -14.111 1.00 0.00 H new ATOM 0 HA LYS A 33 53.630 17.431 -16.472 1.00 0.00 H new ATOM 0 HB2 LYS A 33 53.765 15.163 -15.380 1.00 0.00 H new ATOM 0 HB3 LYS A 33 53.115 15.840 -13.900 1.00 0.00 H new ATOM 0 HG2 LYS A 33 51.317 14.697 -15.167 1.00 0.00 H new ATOM 0 HG3 LYS A 33 50.979 16.414 -15.069 1.00 0.00 H new ATOM 0 HD2 LYS A 33 50.518 15.600 -17.364 1.00 0.00 H new ATOM 0 HD3 LYS A 33 51.851 16.737 -17.400 1.00 0.00 H new ATOM 0 HE2 LYS A 33 53.488 14.827 -17.423 1.00 0.00 H new ATOM 0 HE3 LYS A 33 52.162 13.683 -17.366 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 52.924 14.029 -19.637 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 51.329 14.586 -19.468 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 52.614 15.695 -19.523 1.00 0.00 H new ATOM 501 N CYS A 34 51.726 18.730 -15.536 1.00 0.00 N ATOM 502 CA CYS A 34 50.744 19.763 -15.116 1.00 0.00 C ATOM 503 C CYS A 34 49.293 19.372 -15.417 1.00 0.00 C ATOM 504 O CYS A 34 48.713 19.743 -16.419 1.00 0.00 O ATOM 505 CB CYS A 34 51.030 21.097 -15.817 1.00 0.00 C ATOM 506 SG CYS A 34 52.495 22.088 -15.421 1.00 0.00 S ATOM 0 H CYS A 34 51.530 18.305 -16.442 1.00 0.00 H new ATOM 0 HA CYS A 34 50.859 19.856 -14.036 1.00 0.00 H new ATOM 0 HB2 CYS A 34 51.069 20.889 -16.886 1.00 0.00 H new ATOM 0 HB3 CYS A 34 50.162 21.735 -15.648 1.00 0.00 H new ATOM 511 N ASN A 35 48.770 18.606 -14.505 1.00 0.00 N ATOM 512 CA ASN A 35 47.353 18.133 -14.615 1.00 0.00 C ATOM 513 C ASN A 35 46.520 19.149 -13.825 1.00 0.00 C ATOM 514 O ASN A 35 46.779 19.375 -12.657 1.00 0.00 O ATOM 515 CB ASN A 35 47.112 16.752 -13.956 1.00 0.00 C ATOM 516 CG ASN A 35 47.887 15.590 -14.593 1.00 0.00 C ATOM 517 OD1 ASN A 35 47.828 14.437 -13.975 1.00 0.00 O flip ATOM 518 ND2 ASN A 35 48.530 15.708 -15.617 1.00 0.00 N flip ATOM 0 H ASN A 35 49.265 18.280 -13.675 1.00 0.00 H new ATOM 0 HA ASN A 35 47.096 18.042 -15.670 1.00 0.00 H new ATOM 0 HB2 ASN A 35 47.383 16.816 -12.902 1.00 0.00 H new ATOM 0 HB3 ASN A 35 46.047 16.526 -13.998 1.00 0.00 H new ATOM 0 HD21 ASN A 35 48.571 16.609 -16.092 1.00 0.00 H new ATOM 0 HD22 ASN A 35 49.029 14.906 -16.001 1.00 0.00 H new ATOM 525 N GLN A 36 45.554 19.734 -14.481 1.00 0.00 N ATOM 526 CA GLN A 36 44.672 20.738 -13.814 1.00 0.00 C ATOM 527 C GLN A 36 43.575 19.969 -13.060 1.00 0.00 C ATOM 528 O GLN A 36 42.451 19.832 -13.506 1.00 0.00 O ATOM 529 CB GLN A 36 44.084 21.681 -14.911 1.00 0.00 C ATOM 530 CG GLN A 36 45.163 22.598 -15.550 1.00 0.00 C ATOM 531 CD GLN A 36 46.294 21.832 -16.246 1.00 0.00 C ATOM 532 OE1 GLN A 36 46.080 20.881 -16.972 1.00 0.00 O ATOM 533 NE2 GLN A 36 47.521 22.228 -16.044 1.00 0.00 N ATOM 0 H GLN A 36 45.335 19.558 -15.462 1.00 0.00 H new ATOM 0 HA GLN A 36 45.215 21.356 -13.098 1.00 0.00 H new ATOM 0 HB2 GLN A 36 43.616 21.079 -15.690 1.00 0.00 H new ATOM 0 HB3 GLN A 36 43.301 22.299 -14.472 1.00 0.00 H new ATOM 0 HG2 GLN A 36 44.684 23.257 -16.274 1.00 0.00 H new ATOM 0 HG3 GLN A 36 45.591 23.234 -14.775 1.00 0.00 H new ATOM 0 HE21 GLN A 36 47.706 23.026 -15.436 1.00 0.00 H new ATOM 0 HE22 GLN A 36 48.295 21.740 -16.495 1.00 0.00 H new ATOM 542 N ARG A 37 43.984 19.488 -11.913 1.00 0.00 N ATOM 543 CA ARG A 37 43.104 18.700 -10.994 1.00 0.00 C ATOM 544 C ARG A 37 43.398 19.122 -9.555 1.00 0.00 C ATOM 545 O ARG A 37 43.800 20.245 -9.338 1.00 0.00 O ATOM 546 CB ARG A 37 43.396 17.189 -11.216 1.00 0.00 C ATOM 547 CG ARG A 37 44.894 16.875 -10.957 1.00 0.00 C ATOM 548 CD ARG A 37 45.162 15.370 -11.165 1.00 0.00 C ATOM 549 NE ARG A 37 44.355 14.587 -10.174 1.00 0.00 N ATOM 550 CZ ARG A 37 44.736 14.442 -8.928 1.00 0.00 C ATOM 551 NH1 ARG A 37 45.846 14.980 -8.500 1.00 0.00 N ATOM 552 NH2 ARG A 37 43.975 13.742 -8.133 1.00 0.00 N ATOM 0 H ARG A 37 44.933 19.615 -11.562 1.00 0.00 H new ATOM 0 HA ARG A 37 42.049 18.884 -11.195 1.00 0.00 H new ATOM 0 HB2 ARG A 37 42.774 16.592 -10.550 1.00 0.00 H new ATOM 0 HB3 ARG A 37 43.132 16.909 -12.236 1.00 0.00 H new ATOM 0 HG2 ARG A 37 45.519 17.461 -11.632 1.00 0.00 H new ATOM 0 HG3 ARG A 37 45.164 17.164 -9.941 1.00 0.00 H new ATOM 0 HD2 ARG A 37 44.897 15.078 -12.181 1.00 0.00 H new ATOM 0 HD3 ARG A 37 46.223 15.156 -11.039 1.00 0.00 H new ATOM 0 HE ARG A 37 43.483 14.154 -10.478 1.00 0.00 H new ATOM 0 HH11 ARG A 37 46.429 15.522 -9.138 1.00 0.00 H new ATOM 0 HH12 ARG A 37 46.130 14.859 -7.528 1.00 0.00 H new ATOM 0 HH21 ARG A 37 43.113 13.327 -8.487 1.00 0.00 H new ATOM 0 HH22 ARG A 37 44.242 13.609 -7.158 1.00 0.00 H new ATOM 566 N CYS A 38 43.199 18.234 -8.614 1.00 0.00 N ATOM 567 CA CYS A 38 43.469 18.599 -7.189 1.00 0.00 C ATOM 568 C CYS A 38 44.926 18.296 -6.778 1.00 0.00 C ATOM 569 O CYS A 38 45.621 17.519 -7.402 1.00 0.00 O ATOM 570 CB CYS A 38 42.508 17.823 -6.242 1.00 0.00 C ATOM 571 SG CYS A 38 42.696 18.326 -4.512 1.00 0.00 S ATOM 0 H CYS A 38 42.865 17.282 -8.767 1.00 0.00 H new ATOM 0 HA CYS A 38 43.302 19.672 -7.100 1.00 0.00 H new ATOM 0 HB2 CYS A 38 41.478 17.990 -6.557 1.00 0.00 H new ATOM 0 HB3 CYS A 38 42.699 16.754 -6.330 1.00 0.00 H new ATOM 576 N GLY A 39 45.314 18.953 -5.717 1.00 0.00 N ATOM 577 CA GLY A 39 46.678 18.841 -5.106 1.00 0.00 C ATOM 578 C GLY A 39 46.642 19.686 -3.832 1.00 0.00 C ATOM 579 O GLY A 39 45.817 20.575 -3.736 1.00 0.00 O ATOM 0 H GLY A 39 44.704 19.602 -5.219 1.00 0.00 H new ATOM 0 HA2 GLY A 39 46.919 17.803 -4.878 1.00 0.00 H new ATOM 0 HA3 GLY A 39 47.444 19.203 -5.792 1.00 0.00 H new ATOM 583 N CYS A 40 47.510 19.410 -2.884 1.00 0.00 N ATOM 584 CA CYS A 40 47.510 20.213 -1.626 1.00 0.00 C ATOM 585 C CYS A 40 47.618 21.699 -1.902 1.00 0.00 C ATOM 586 O CYS A 40 47.837 22.115 -3.021 1.00 0.00 O ATOM 587 CB CYS A 40 48.674 19.787 -0.731 1.00 0.00 C ATOM 588 SG CYS A 40 48.531 18.194 0.096 1.00 0.00 S ATOM 0 H CYS A 40 48.210 18.670 -2.930 1.00 0.00 H new ATOM 0 HA CYS A 40 46.560 20.026 -1.125 1.00 0.00 H new ATOM 0 HB2 CYS A 40 49.580 19.774 -1.337 1.00 0.00 H new ATOM 0 HB3 CYS A 40 48.812 20.553 0.032 1.00 0.00 H new ATOM 593 N ILE A 41 47.461 22.474 -0.867 1.00 0.00 N ATOM 594 CA ILE A 41 47.555 23.943 -1.087 1.00 0.00 C ATOM 595 C ILE A 41 49.005 24.234 -1.519 1.00 0.00 C ATOM 596 O ILE A 41 49.917 23.499 -1.191 1.00 0.00 O ATOM 597 CB ILE A 41 47.284 24.749 0.199 1.00 0.00 C ATOM 598 CG1 ILE A 41 46.120 24.186 1.084 1.00 0.00 C ATOM 599 CG2 ILE A 41 46.897 26.161 -0.290 1.00 0.00 C ATOM 600 CD1 ILE A 41 44.774 24.051 0.354 1.00 0.00 C ATOM 0 H ILE A 41 47.278 22.170 0.089 1.00 0.00 H new ATOM 0 HA ILE A 41 46.812 24.234 -1.829 1.00 0.00 H new ATOM 0 HB ILE A 41 48.169 24.714 0.834 1.00 0.00 H new ATOM 0 HG12 ILE A 41 46.411 23.208 1.466 1.00 0.00 H new ATOM 0 HG13 ILE A 41 45.988 24.839 1.947 1.00 0.00 H new ATOM 0 HG21 ILE A 41 46.688 26.799 0.569 1.00 0.00 H new ATOM 0 HG22 ILE A 41 47.720 26.585 -0.865 1.00 0.00 H new ATOM 0 HG23 ILE A 41 46.010 26.097 -0.920 1.00 0.00 H new ATOM 0 HD11 ILE A 41 44.026 23.654 1.040 1.00 0.00 H new ATOM 0 HD12 ILE A 41 44.455 25.030 -0.005 1.00 0.00 H new ATOM 0 HD13 ILE A 41 44.885 23.373 -0.492 1.00 0.00 H new ATOM 612 N SER A 42 49.155 25.305 -2.248 1.00 0.00 N ATOM 613 CA SER A 42 50.505 25.711 -2.738 1.00 0.00 C ATOM 614 C SER A 42 51.284 26.340 -1.573 1.00 0.00 C ATOM 615 O SER A 42 51.256 27.532 -1.331 1.00 0.00 O ATOM 616 CB SER A 42 50.312 26.705 -3.912 1.00 0.00 C ATOM 617 OG SER A 42 49.540 27.776 -3.382 1.00 0.00 O ATOM 0 H SER A 42 48.393 25.923 -2.528 1.00 0.00 H new ATOM 0 HA SER A 42 51.078 24.857 -3.099 1.00 0.00 H new ATOM 0 HB2 SER A 42 51.272 27.061 -4.286 1.00 0.00 H new ATOM 0 HB3 SER A 42 49.800 26.229 -4.749 1.00 0.00 H new ATOM 0 HG SER A 42 49.938 28.081 -2.540 1.00 0.00 H new ATOM 623 N GLY A 43 51.961 25.458 -0.889 1.00 0.00 N ATOM 624 CA GLY A 43 52.793 25.825 0.293 1.00 0.00 C ATOM 625 C GLY A 43 52.722 24.658 1.282 1.00 0.00 C ATOM 626 O GLY A 43 53.618 24.468 2.083 1.00 0.00 O ATOM 0 H GLY A 43 51.971 24.462 -1.110 1.00 0.00 H new ATOM 0 HA2 GLY A 43 53.824 26.012 -0.007 1.00 0.00 H new ATOM 0 HA3 GLY A 43 52.423 26.741 0.753 1.00 0.00 H new ATOM 630 N THR A 44 51.645 23.914 1.183 1.00 0.00 N ATOM 631 CA THR A 44 51.431 22.739 2.077 1.00 0.00 C ATOM 632 C THR A 44 51.778 21.457 1.329 1.00 0.00 C ATOM 633 O THR A 44 52.014 21.447 0.136 1.00 0.00 O ATOM 634 CB THR A 44 49.945 22.658 2.540 1.00 0.00 C ATOM 635 OG1 THR A 44 49.139 22.567 1.370 1.00 0.00 O ATOM 636 CG2 THR A 44 49.494 23.937 3.242 1.00 0.00 C ATOM 0 H THR A 44 50.897 24.077 0.509 1.00 0.00 H new ATOM 0 HA THR A 44 52.073 22.855 2.951 1.00 0.00 H new ATOM 0 HB THR A 44 49.850 21.809 3.218 1.00 0.00 H new ATOM 0 HG1 THR A 44 49.674 22.807 0.585 1.00 0.00 H new ATOM 0 HG21 THR A 44 48.453 23.836 3.548 1.00 0.00 H new ATOM 0 HG22 THR A 44 50.115 24.108 4.121 1.00 0.00 H new ATOM 0 HG23 THR A 44 49.592 24.781 2.559 1.00 0.00 H new ATOM 644 N VAL A 45 51.784 20.413 2.105 1.00 0.00 N ATOM 645 CA VAL A 45 52.089 19.046 1.608 1.00 0.00 C ATOM 646 C VAL A 45 51.206 18.069 2.371 1.00 0.00 C ATOM 647 O VAL A 45 51.107 18.118 3.580 1.00 0.00 O ATOM 648 CB VAL A 45 53.597 18.701 1.829 1.00 0.00 C ATOM 649 CG1 VAL A 45 54.486 19.539 0.912 1.00 0.00 C ATOM 650 CG2 VAL A 45 54.075 18.920 3.277 1.00 0.00 C ATOM 0 H VAL A 45 51.582 20.454 3.104 1.00 0.00 H new ATOM 0 HA VAL A 45 51.892 18.983 0.538 1.00 0.00 H new ATOM 0 HB VAL A 45 53.682 17.639 1.598 1.00 0.00 H new ATOM 0 HG11 VAL A 45 55.531 19.281 1.084 1.00 0.00 H new ATOM 0 HG12 VAL A 45 54.229 19.337 -0.128 1.00 0.00 H new ATOM 0 HG13 VAL A 45 54.333 20.597 1.125 1.00 0.00 H new ATOM 0 HG21 VAL A 45 55.131 18.660 3.355 1.00 0.00 H new ATOM 0 HG22 VAL A 45 53.938 19.966 3.551 1.00 0.00 H new ATOM 0 HG23 VAL A 45 53.495 18.289 3.951 1.00 0.00 H new ATOM 660 N LEU A 46 50.589 17.205 1.612 1.00 0.00 N ATOM 661 CA LEU A 46 49.671 16.166 2.166 1.00 0.00 C ATOM 662 C LEU A 46 50.350 15.465 3.350 1.00 0.00 C ATOM 663 O LEU A 46 51.516 15.130 3.280 1.00 0.00 O ATOM 664 CB LEU A 46 49.362 15.190 1.029 1.00 0.00 C ATOM 665 CG LEU A 46 48.205 14.215 1.329 1.00 0.00 C ATOM 666 CD1 LEU A 46 46.893 15.002 1.588 1.00 0.00 C ATOM 667 CD2 LEU A 46 48.002 13.326 0.079 1.00 0.00 C ATOM 0 H LEU A 46 50.686 17.175 0.597 1.00 0.00 H new ATOM 0 HA LEU A 46 48.742 16.599 2.538 1.00 0.00 H new ATOM 0 HB2 LEU A 46 49.119 15.760 0.132 1.00 0.00 H new ATOM 0 HB3 LEU A 46 50.260 14.613 0.806 1.00 0.00 H new ATOM 0 HG LEU A 46 48.444 13.619 2.210 1.00 0.00 H new ATOM 0 HD11 LEU A 46 46.084 14.302 1.798 1.00 0.00 H new ATOM 0 HD12 LEU A 46 47.029 15.666 2.442 1.00 0.00 H new ATOM 0 HD13 LEU A 46 46.642 15.592 0.706 1.00 0.00 H new ATOM 0 HD21 LEU A 46 47.188 12.624 0.260 1.00 0.00 H new ATOM 0 HD22 LEU A 46 47.756 13.953 -0.778 1.00 0.00 H new ATOM 0 HD23 LEU A 46 48.919 12.774 -0.127 1.00 0.00 H new ATOM 679 N LYS A 47 49.586 15.275 4.393 1.00 0.00 N ATOM 680 CA LYS A 47 50.079 14.609 5.643 1.00 0.00 C ATOM 681 C LYS A 47 50.934 13.369 5.347 1.00 0.00 C ATOM 682 O LYS A 47 51.900 13.103 6.038 1.00 0.00 O ATOM 683 CB LYS A 47 48.839 14.249 6.491 1.00 0.00 C ATOM 684 CG LYS A 47 49.232 13.466 7.752 1.00 0.00 C ATOM 685 CD LYS A 47 47.962 13.169 8.577 1.00 0.00 C ATOM 686 CE LYS A 47 48.339 12.374 9.840 1.00 0.00 C ATOM 687 NZ LYS A 47 48.974 11.078 9.464 1.00 0.00 N ATOM 0 H LYS A 47 48.608 15.562 4.434 1.00 0.00 H new ATOM 0 HA LYS A 47 50.734 15.289 6.187 1.00 0.00 H new ATOM 0 HB2 LYS A 47 48.314 15.161 6.776 1.00 0.00 H new ATOM 0 HB3 LYS A 47 48.147 13.656 5.893 1.00 0.00 H new ATOM 0 HG2 LYS A 47 49.728 12.535 7.477 1.00 0.00 H new ATOM 0 HG3 LYS A 47 49.941 14.042 8.347 1.00 0.00 H new ATOM 0 HD2 LYS A 47 47.471 14.101 8.855 1.00 0.00 H new ATOM 0 HD3 LYS A 47 47.251 12.601 7.977 1.00 0.00 H new ATOM 0 HE2 LYS A 47 49.024 12.958 10.455 1.00 0.00 H new ATOM 0 HE3 LYS A 47 47.449 12.190 10.442 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 48.946 10.429 10.276 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 48.457 10.656 8.666 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 49.963 11.243 9.187 1.00 0.00 H new ATOM 701 N SER A 48 50.543 12.654 4.325 1.00 0.00 N ATOM 702 CA SER A 48 51.283 11.422 3.919 1.00 0.00 C ATOM 703 C SER A 48 51.239 11.305 2.401 1.00 0.00 C ATOM 704 O SER A 48 50.589 12.085 1.731 1.00 0.00 O ATOM 705 CB SER A 48 50.623 10.181 4.554 1.00 0.00 C ATOM 706 OG SER A 48 50.685 10.421 5.952 1.00 0.00 O ATOM 0 H SER A 48 49.732 12.874 3.747 1.00 0.00 H new ATOM 0 HA SER A 48 52.317 11.483 4.259 1.00 0.00 H new ATOM 0 HB2 SER A 48 49.593 10.063 4.217 1.00 0.00 H new ATOM 0 HB3 SER A 48 51.153 9.268 4.284 1.00 0.00 H new ATOM 0 HG SER A 48 50.279 9.669 6.431 1.00 0.00 H new ATOM 712 N LYS A 49 51.948 10.314 1.923 1.00 0.00 N ATOM 713 CA LYS A 49 52.041 10.023 0.459 1.00 0.00 C ATOM 714 C LYS A 49 50.646 10.005 -0.196 1.00 0.00 C ATOM 715 O LYS A 49 50.524 10.222 -1.387 1.00 0.00 O ATOM 716 CB LYS A 49 52.737 8.663 0.311 1.00 0.00 C ATOM 717 CG LYS A 49 53.021 8.270 -1.162 1.00 0.00 C ATOM 718 CD LYS A 49 54.016 9.263 -1.807 1.00 0.00 C ATOM 719 CE LYS A 49 54.331 8.807 -3.242 1.00 0.00 C ATOM 720 NZ LYS A 49 55.321 9.732 -3.865 1.00 0.00 N ATOM 0 H LYS A 49 52.484 9.673 2.508 1.00 0.00 H new ATOM 0 HA LYS A 49 52.610 10.802 -0.048 1.00 0.00 H new ATOM 0 HB2 LYS A 49 53.678 8.684 0.861 1.00 0.00 H new ATOM 0 HB3 LYS A 49 52.116 7.894 0.771 1.00 0.00 H new ATOM 0 HG2 LYS A 49 53.429 7.260 -1.203 1.00 0.00 H new ATOM 0 HG3 LYS A 49 52.089 8.261 -1.728 1.00 0.00 H new ATOM 0 HD2 LYS A 49 53.591 10.267 -1.817 1.00 0.00 H new ATOM 0 HD3 LYS A 49 54.932 9.311 -1.219 1.00 0.00 H new ATOM 0 HE2 LYS A 49 54.727 7.791 -3.231 1.00 0.00 H new ATOM 0 HE3 LYS A 49 53.417 8.787 -3.835 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 54.863 10.265 -4.632 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 55.676 10.395 -3.147 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 56.115 9.182 -4.251 1.00 0.00 H new ATOM 734 N ASP A 50 49.642 9.747 0.610 1.00 0.00 N ATOM 735 CA ASP A 50 48.242 9.702 0.086 1.00 0.00 C ATOM 736 C ASP A 50 47.194 9.930 1.205 1.00 0.00 C ATOM 737 O ASP A 50 46.214 9.215 1.297 1.00 0.00 O ATOM 738 CB ASP A 50 48.058 8.317 -0.609 1.00 0.00 C ATOM 739 CG ASP A 50 46.667 8.203 -1.266 1.00 0.00 C ATOM 740 OD1 ASP A 50 46.422 8.997 -2.161 1.00 0.00 O ATOM 741 OD2 ASP A 50 45.927 7.332 -0.839 1.00 0.00 O ATOM 0 H ASP A 50 49.734 9.566 1.610 1.00 0.00 H new ATOM 0 HA ASP A 50 48.080 10.510 -0.627 1.00 0.00 H new ATOM 0 HB2 ASP A 50 48.832 8.180 -1.364 1.00 0.00 H new ATOM 0 HB3 ASP A 50 48.183 7.520 0.124 1.00 0.00 H new ATOM 746 N SER A 51 47.417 10.922 2.037 1.00 0.00 N ATOM 747 CA SER A 51 46.449 11.216 3.148 1.00 0.00 C ATOM 748 C SER A 51 45.267 12.021 2.542 1.00 0.00 C ATOM 749 O SER A 51 44.979 11.892 1.368 1.00 0.00 O ATOM 750 CB SER A 51 47.215 12.016 4.229 1.00 0.00 C ATOM 751 OG SER A 51 46.321 12.141 5.325 1.00 0.00 O ATOM 0 H SER A 51 48.227 11.541 1.996 1.00 0.00 H new ATOM 0 HA SER A 51 46.044 10.316 3.610 1.00 0.00 H new ATOM 0 HB2 SER A 51 48.127 11.498 4.526 1.00 0.00 H new ATOM 0 HB3 SER A 51 47.512 12.995 3.853 1.00 0.00 H new ATOM 0 HG SER A 51 45.642 11.436 5.275 1.00 0.00 H new ATOM 757 N SER A 52 44.614 12.824 3.345 1.00 0.00 N ATOM 758 CA SER A 52 43.458 13.653 2.879 1.00 0.00 C ATOM 759 C SER A 52 43.380 14.903 3.784 1.00 0.00 C ATOM 760 O SER A 52 42.316 15.403 4.101 1.00 0.00 O ATOM 761 CB SER A 52 42.187 12.779 2.985 1.00 0.00 C ATOM 762 OG SER A 52 41.138 13.591 2.479 1.00 0.00 O ATOM 0 H SER A 52 44.841 12.943 4.332 1.00 0.00 H new ATOM 0 HA SER A 52 43.565 13.985 1.846 1.00 0.00 H new ATOM 0 HB2 SER A 52 42.290 11.861 2.406 1.00 0.00 H new ATOM 0 HB3 SER A 52 41.995 12.485 4.017 1.00 0.00 H new ATOM 0 HG SER A 52 41.109 14.435 2.976 1.00 0.00 H new ATOM 768 N GLU A 53 44.543 15.366 4.168 1.00 0.00 N ATOM 769 CA GLU A 53 44.678 16.568 5.051 1.00 0.00 C ATOM 770 C GLU A 53 46.123 17.050 4.832 1.00 0.00 C ATOM 771 O GLU A 53 47.049 16.329 5.138 1.00 0.00 O ATOM 772 CB GLU A 53 44.388 16.088 6.503 1.00 0.00 C ATOM 773 CG GLU A 53 44.430 17.234 7.539 1.00 0.00 C ATOM 774 CD GLU A 53 45.831 17.857 7.624 1.00 0.00 C ATOM 775 OE1 GLU A 53 46.734 17.120 7.990 1.00 0.00 O ATOM 776 OE2 GLU A 53 45.915 19.034 7.318 1.00 0.00 O ATOM 0 H GLU A 53 45.433 14.948 3.898 1.00 0.00 H new ATOM 0 HA GLU A 53 43.994 17.391 4.844 1.00 0.00 H new ATOM 0 HB2 GLU A 53 43.407 15.614 6.534 1.00 0.00 H new ATOM 0 HB3 GLU A 53 45.118 15.328 6.781 1.00 0.00 H new ATOM 0 HG2 GLU A 53 43.705 18.001 7.266 1.00 0.00 H new ATOM 0 HG3 GLU A 53 44.139 16.853 8.518 1.00 0.00 H new ATOM 783 N CYS A 54 46.275 18.246 4.317 1.00 0.00 N ATOM 784 CA CYS A 54 47.639 18.817 4.049 1.00 0.00 C ATOM 785 C CYS A 54 48.155 19.795 5.115 1.00 0.00 C ATOM 786 O CYS A 54 47.424 20.605 5.652 1.00 0.00 O ATOM 787 CB CYS A 54 47.593 19.531 2.712 1.00 0.00 C ATOM 788 SG CYS A 54 46.959 18.612 1.289 1.00 0.00 S ATOM 0 H CYS A 54 45.502 18.862 4.066 1.00 0.00 H new ATOM 0 HA CYS A 54 48.334 17.977 4.060 1.00 0.00 H new ATOM 0 HB2 CYS A 54 46.984 20.427 2.831 1.00 0.00 H new ATOM 0 HB3 CYS A 54 48.604 19.862 2.474 1.00 0.00 H new ATOM 793 N VAL A 55 49.431 19.660 5.361 1.00 0.00 N ATOM 794 CA VAL A 55 50.182 20.491 6.352 1.00 0.00 C ATOM 795 C VAL A 55 51.542 20.875 5.769 1.00 0.00 C ATOM 796 O VAL A 55 52.114 20.113 5.019 1.00 0.00 O ATOM 797 CB VAL A 55 50.404 19.687 7.660 1.00 0.00 C ATOM 798 CG1 VAL A 55 49.057 19.441 8.351 1.00 0.00 C ATOM 799 CG2 VAL A 55 51.037 18.305 7.349 1.00 0.00 C ATOM 0 H VAL A 55 50.014 18.969 4.889 1.00 0.00 H new ATOM 0 HA VAL A 55 49.603 21.388 6.571 1.00 0.00 H new ATOM 0 HB VAL A 55 51.069 20.264 8.303 1.00 0.00 H new ATOM 0 HG11 VAL A 55 49.217 18.876 9.269 1.00 0.00 H new ATOM 0 HG12 VAL A 55 48.591 20.397 8.590 1.00 0.00 H new ATOM 0 HG13 VAL A 55 48.405 18.875 7.686 1.00 0.00 H new ATOM 0 HG21 VAL A 55 51.185 17.755 8.278 1.00 0.00 H new ATOM 0 HG22 VAL A 55 50.373 17.740 6.695 1.00 0.00 H new ATOM 0 HG23 VAL A 55 51.998 18.448 6.855 1.00 0.00 H new ATOM 809 N HIS A 56 52.026 22.039 6.122 1.00 0.00 N ATOM 810 CA HIS A 56 53.355 22.495 5.603 1.00 0.00 C ATOM 811 C HIS A 56 54.451 21.499 6.037 1.00 0.00 C ATOM 812 O HIS A 56 54.278 20.808 7.022 1.00 0.00 O ATOM 813 CB HIS A 56 53.662 23.895 6.167 1.00 0.00 C ATOM 814 CG HIS A 56 52.616 24.892 5.659 1.00 0.00 C ATOM 815 ND1 HIS A 56 52.720 25.574 4.567 1.00 0.00 N ATOM 816 CD2 HIS A 56 51.399 25.283 6.191 1.00 0.00 C ATOM 817 CE1 HIS A 56 51.676 26.324 4.418 1.00 0.00 C ATOM 818 NE2 HIS A 56 50.828 26.175 5.405 1.00 0.00 N ATOM 0 H HIS A 56 51.559 22.695 6.748 1.00 0.00 H new ATOM 0 HA HIS A 56 53.331 22.540 4.514 1.00 0.00 H new ATOM 0 HB2 HIS A 56 53.656 23.869 7.257 1.00 0.00 H new ATOM 0 HB3 HIS A 56 54.659 24.211 5.861 1.00 0.00 H new ATOM 0 HD1 HIS A 56 53.507 25.528 3.919 1.00 0.00 H new ATOM 0 HD2 HIS A 56 50.979 24.912 7.114 1.00 0.00 H new ATOM 0 HE1 HIS A 56 51.523 26.991 3.582 1.00 0.00 H new ATOM 826 N PRO A 57 55.541 21.444 5.302 1.00 0.00 N ATOM 827 CA PRO A 57 56.669 20.544 5.627 1.00 0.00 C ATOM 828 C PRO A 57 57.230 20.791 7.037 1.00 0.00 C ATOM 829 O PRO A 57 57.815 19.903 7.628 1.00 0.00 O ATOM 830 CB PRO A 57 57.722 20.888 4.556 1.00 0.00 C ATOM 831 CG PRO A 57 57.323 22.220 4.032 1.00 0.00 C ATOM 832 CD PRO A 57 55.830 22.226 4.081 1.00 0.00 C ATOM 0 HA PRO A 57 56.367 19.497 5.625 1.00 0.00 H new ATOM 0 HB2 PRO A 57 58.724 20.917 4.984 1.00 0.00 H new ATOM 0 HB3 PRO A 57 57.736 20.141 3.763 1.00 0.00 H new ATOM 0 HG2 PRO A 57 57.741 23.024 4.639 1.00 0.00 H new ATOM 0 HG3 PRO A 57 57.685 22.368 3.014 1.00 0.00 H new ATOM 0 HD2 PRO A 57 55.431 23.238 4.145 1.00 0.00 H new ATOM 0 HD3 PRO A 57 55.394 21.767 3.194 1.00 0.00 H new ATOM 840 N SER A 58 57.017 21.994 7.506 1.00 0.00 N ATOM 841 CA SER A 58 57.490 22.418 8.861 1.00 0.00 C ATOM 842 C SER A 58 56.465 22.071 9.959 1.00 0.00 C ATOM 843 O SER A 58 56.568 22.550 11.072 1.00 0.00 O ATOM 844 CB SER A 58 57.743 23.938 8.817 1.00 0.00 C ATOM 845 OG SER A 58 56.484 24.503 8.472 1.00 0.00 O ATOM 0 H SER A 58 56.520 22.721 6.991 1.00 0.00 H new ATOM 0 HA SER A 58 58.406 21.882 9.110 1.00 0.00 H new ATOM 0 HB2 SER A 58 58.093 24.309 9.780 1.00 0.00 H new ATOM 0 HB3 SER A 58 58.506 24.191 8.081 1.00 0.00 H new ATOM 0 HG SER A 58 56.565 25.479 8.426 1.00 0.00 H new ATOM 851 N LYS A 59 55.512 21.247 9.605 1.00 0.00 N ATOM 852 CA LYS A 59 54.442 20.818 10.562 1.00 0.00 C ATOM 853 C LYS A 59 54.385 19.299 10.606 1.00 0.00 C ATOM 854 O LYS A 59 54.436 18.707 11.668 1.00 0.00 O ATOM 855 CB LYS A 59 53.073 21.283 10.110 1.00 0.00 C ATOM 856 CG LYS A 59 52.995 22.793 9.948 1.00 0.00 C ATOM 857 CD LYS A 59 51.586 23.134 9.416 1.00 0.00 C ATOM 858 CE LYS A 59 50.471 22.799 10.432 1.00 0.00 C ATOM 859 NZ LYS A 59 50.690 23.547 11.702 1.00 0.00 N ATOM 0 H LYS A 59 55.427 20.844 8.672 1.00 0.00 H new ATOM 0 HA LYS A 59 54.685 21.251 11.532 1.00 0.00 H new ATOM 0 HB2 LYS A 59 52.826 20.806 9.162 1.00 0.00 H new ATOM 0 HB3 LYS A 59 52.325 20.959 10.834 1.00 0.00 H new ATOM 0 HG2 LYS A 59 53.175 23.290 10.901 1.00 0.00 H new ATOM 0 HG3 LYS A 59 53.761 23.144 9.256 1.00 0.00 H new ATOM 0 HD2 LYS A 59 51.541 24.195 9.170 1.00 0.00 H new ATOM 0 HD3 LYS A 59 51.408 22.584 8.492 1.00 0.00 H new ATOM 0 HE2 LYS A 59 49.498 23.056 10.013 1.00 0.00 H new ATOM 0 HE3 LYS A 59 50.460 21.727 10.630 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 49.828 23.506 12.282 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 51.480 23.119 12.225 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 50.915 24.539 11.486 1.00 0.00 H new ATOM 873 N CYS A 60 54.275 18.752 9.417 1.00 0.00 N ATOM 874 CA CYS A 60 54.193 17.278 9.193 1.00 0.00 C ATOM 875 C CYS A 60 54.720 16.394 10.349 1.00 0.00 C ATOM 876 O CYS A 60 53.899 15.678 10.898 1.00 0.00 O ATOM 877 CB CYS A 60 54.971 16.931 7.913 1.00 0.00 C ATOM 878 SG CYS A 60 54.367 17.414 6.279 1.00 0.00 S ATOM 879 OXT CYS A 60 55.908 16.484 10.619 1.00 0.00 O ATOM 0 H CYS A 60 54.237 19.297 8.556 1.00 0.00 H new ATOM 0 HA CYS A 60 53.129 17.053 9.117 1.00 0.00 H new ATOM 0 HB2 CYS A 60 55.967 17.360 8.022 1.00 0.00 H new ATOM 0 HB3 CYS A 60 55.090 15.848 7.899 1.00 0.00 H new TER 884 CYS A 60