USER MOD reduce.3.24.130724 H: found=0, std=0, add=393, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 385 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 27 ASN : amide:sc= 1.39 K(o=5.7,f=5) USER MOD Set 1.2: A 34 CYS SG : rot -167:sc= 2.22 USER MOD Set 1.3: A 59 SER OG : rot 160:sc= 0.638 USER MOD Set 1.4: A 60 CYS SG : rot 132:sc= 1.41 USER MOD Set 2.1: A 39 CYS SG : rot -73:sc= 1.4 USER MOD Set 2.2: A 51 CYS SG : rot 85:sc= 0.672 USER MOD Set 3.1: A 13 CYS SG : rot 77:sc= 0.564 USER MOD Set 3.2: A 42 CYS SG : rot 78:sc= 1.24 USER MOD Set 4.1: A 25 CYS SG : rot 70:sc= 1.31 USER MOD Set 4.2: A 38 CYS SG : rot -81:sc= 0.761 USER MOD Set 5.1: A 15 TYR OH : rot -107:sc= 0.582 USER MOD Set 5.2: A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 6 HIS : no HD1:sc= -0.238 X(o=-0.24,f=0.0014) USER MOD Single : A 10 ASN : amide:sc= -0.179 K(o=-0.18,f=-4.9!) USER MOD Single : A 11 THR OG1 : rot -37:sc= 0.876 USER MOD Single : A 12 ASN : amide:sc= -0.106 X(o=-0.11,f=0) USER MOD Single : A 16 THR OG1 : rot 45:sc=0.000941 USER MOD Single : A 17 ASN : amide:sc= -0.0396 X(o=-0.04,f=0) USER MOD Single : A 18 SER OG : rot 180:sc= 0.0318 USER MOD Single : A 19 GLN : amide:sc= 0.758 K(o=0.76,f=-0.0031) USER MOD Single : A 26 THR OG1 : rot -60:sc= 1.23 USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 ASN : amide:sc= 2.44 K(o=2.4,f=-4.7!) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 40 ASN : amide:sc= -1.44 K(o=-1.4,f=-0.44) USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 THR OG1 : rot 91:sc= 0.733 USER MOD Single : A 54 GLN : amide:sc= -0.16 K(o=-0.16,f=-1.7) USER MOD Single : A 58 ASN : amide:sc= 0.577 K(o=0.58,f=-0.0053) USER MOD Single : A 62 ASN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 15 N ASP A 2 -7.815 0.352 8.651 1.00 0.00 N ATOM 16 CA ASP A 2 -8.296 0.734 7.320 1.00 0.00 C ATOM 17 C ASP A 2 -7.414 1.870 6.768 1.00 0.00 C ATOM 18 O ASP A 2 -6.948 2.686 7.561 1.00 0.00 O ATOM 19 CB ASP A 2 -9.758 1.201 7.461 1.00 0.00 C ATOM 20 CG ASP A 2 -10.744 0.516 6.511 1.00 0.00 C ATOM 21 OD1 ASP A 2 -10.468 -0.625 6.077 1.00 0.00 O ATOM 22 OD2 ASP A 2 -11.882 1.005 6.332 1.00 0.00 O ATOM 0 HA ASP A 2 -8.244 -0.107 6.629 1.00 0.00 H new ATOM 0 HB2 ASP A 2 -10.083 1.027 8.487 1.00 0.00 H new ATOM 0 HB3 ASP A 2 -9.799 2.277 7.291 1.00 0.00 H new ATOM 27 N PRO A 3 -7.204 2.003 5.446 1.00 0.00 N ATOM 28 CA PRO A 3 -6.375 3.069 4.864 1.00 0.00 C ATOM 29 C PRO A 3 -7.063 4.436 4.901 1.00 0.00 C ATOM 30 O PRO A 3 -6.475 5.448 4.538 1.00 0.00 O ATOM 31 CB PRO A 3 -6.136 2.637 3.417 1.00 0.00 C ATOM 32 CG PRO A 3 -7.382 1.825 3.071 1.00 0.00 C ATOM 33 CD PRO A 3 -7.777 1.173 4.397 1.00 0.00 C ATOM 0 HA PRO A 3 -5.452 3.192 5.431 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -6.022 3.496 2.756 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -5.229 2.039 3.322 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -8.179 2.461 2.686 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -7.172 1.078 2.306 1.00 0.00 H new ATOM 0 HD2 PRO A 3 -8.861 1.116 4.495 1.00 0.00 H new ATOM 0 HD3 PRO A 3 -7.397 0.153 4.457 1.00 0.00 H new ATOM 41 N GLU A 4 -8.329 4.467 5.297 1.00 0.00 N ATOM 42 CA GLU A 4 -9.150 5.658 5.293 1.00 0.00 C ATOM 43 C GLU A 4 -8.617 6.708 6.272 1.00 0.00 C ATOM 44 O GLU A 4 -8.493 7.880 5.916 1.00 0.00 O ATOM 45 CB GLU A 4 -10.546 5.212 5.734 1.00 0.00 C ATOM 46 CG GLU A 4 -11.542 6.373 5.802 1.00 0.00 C ATOM 47 CD GLU A 4 -12.956 5.851 6.019 1.00 0.00 C ATOM 48 OE1 GLU A 4 -13.355 5.608 7.183 1.00 0.00 O ATOM 49 OE2 GLU A 4 -13.692 5.699 5.015 1.00 0.00 O ATOM 0 H GLU A 4 -8.820 3.640 5.637 1.00 0.00 H new ATOM 0 HA GLU A 4 -9.154 6.115 4.303 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -10.919 4.459 5.040 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -10.479 4.738 6.713 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -11.269 7.047 6.613 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -11.499 6.951 4.879 1.00 0.00 H new ATOM 56 N GLU A 5 -8.327 6.298 7.511 1.00 0.00 N ATOM 57 CA GLU A 5 -7.914 7.183 8.601 1.00 0.00 C ATOM 58 C GLU A 5 -6.393 7.154 8.792 1.00 0.00 C ATOM 59 O GLU A 5 -5.876 7.580 9.831 1.00 0.00 O ATOM 60 CB GLU A 5 -8.680 6.852 9.894 1.00 0.00 C ATOM 61 CG GLU A 5 -10.197 7.065 9.757 1.00 0.00 C ATOM 62 CD GLU A 5 -10.887 7.199 11.119 1.00 0.00 C ATOM 63 OE1 GLU A 5 -10.702 6.329 12.000 1.00 0.00 O ATOM 64 OE2 GLU A 5 -11.605 8.202 11.349 1.00 0.00 O ATOM 0 H GLU A 5 -8.375 5.318 7.789 1.00 0.00 H new ATOM 0 HA GLU A 5 -8.173 8.207 8.332 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -8.486 5.816 10.171 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -8.302 7.474 10.705 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -10.385 7.962 9.167 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -10.632 6.228 9.212 1.00 0.00 H new ATOM 71 N HIS A 6 -5.666 6.628 7.805 1.00 0.00 N ATOM 72 CA HIS A 6 -4.232 6.429 7.845 1.00 0.00 C ATOM 73 C HIS A 6 -3.669 6.817 6.493 1.00 0.00 C ATOM 74 O HIS A 6 -3.785 6.060 5.538 1.00 0.00 O ATOM 75 CB HIS A 6 -3.909 4.969 8.175 1.00 0.00 C ATOM 76 CG HIS A 6 -4.267 4.605 9.585 1.00 0.00 C ATOM 77 ND1 HIS A 6 -3.460 4.677 10.703 1.00 0.00 N ATOM 78 CD2 HIS A 6 -5.517 4.232 9.978 1.00 0.00 C ATOM 79 CE1 HIS A 6 -4.219 4.330 11.757 1.00 0.00 C ATOM 80 NE2 HIS A 6 -5.483 4.058 11.369 1.00 0.00 N ATOM 0 H HIS A 6 -6.084 6.320 6.927 1.00 0.00 H new ATOM 0 HA HIS A 6 -3.782 7.047 8.622 1.00 0.00 H new ATOM 0 HB2 HIS A 6 -4.447 4.317 7.487 1.00 0.00 H new ATOM 0 HB3 HIS A 6 -2.845 4.791 8.016 1.00 0.00 H new ATOM 0 HD2 HIS A 6 -6.375 4.096 9.337 1.00 0.00 H new ATOM 0 HE1 HIS A 6 -3.865 4.276 12.776 1.00 0.00 H new ATOM 0 HE2 HIS A 6 -6.260 3.781 11.969 1.00 0.00 H new ATOM 88 N PHE A 7 -3.030 7.973 6.412 1.00 0.00 N ATOM 89 CA PHE A 7 -2.104 8.331 5.352 1.00 0.00 C ATOM 90 C PHE A 7 -0.915 8.934 6.098 1.00 0.00 C ATOM 91 O PHE A 7 -1.119 9.621 7.107 1.00 0.00 O ATOM 92 CB PHE A 7 -2.785 9.336 4.406 1.00 0.00 C ATOM 93 CG PHE A 7 -2.573 9.169 2.912 1.00 0.00 C ATOM 94 CD1 PHE A 7 -1.286 9.017 2.364 1.00 0.00 C ATOM 95 CD2 PHE A 7 -3.681 9.248 2.046 1.00 0.00 C ATOM 96 CE1 PHE A 7 -1.105 8.961 0.973 1.00 0.00 C ATOM 97 CE2 PHE A 7 -3.502 9.174 0.656 1.00 0.00 C ATOM 98 CZ PHE A 7 -2.215 9.019 0.118 1.00 0.00 C ATOM 0 H PHE A 7 -3.146 8.712 7.106 1.00 0.00 H new ATOM 0 HA PHE A 7 -1.790 7.497 4.724 1.00 0.00 H new ATOM 0 HB2 PHE A 7 -3.858 9.299 4.597 1.00 0.00 H new ATOM 0 HB3 PHE A 7 -2.446 10.335 4.681 1.00 0.00 H new ATOM 0 HD1 PHE A 7 -0.430 8.943 3.019 1.00 0.00 H new ATOM 0 HD2 PHE A 7 -4.674 9.366 2.454 1.00 0.00 H new ATOM 0 HE1 PHE A 7 -0.110 8.873 0.561 1.00 0.00 H new ATOM 0 HE2 PHE A 7 -4.357 9.236 -0.001 1.00 0.00 H new ATOM 0 HZ PHE A 7 -2.080 8.945 -0.951 1.00 0.00 H new ATOM 108 N ASP A 8 0.317 8.653 5.678 1.00 0.00 N ATOM 109 CA ASP A 8 1.482 9.438 6.094 1.00 0.00 C ATOM 110 C ASP A 8 2.552 9.199 5.021 1.00 0.00 C ATOM 111 O ASP A 8 3.346 8.263 5.152 1.00 0.00 O ATOM 112 CB ASP A 8 1.942 9.148 7.553 1.00 0.00 C ATOM 113 CG ASP A 8 1.998 10.450 8.375 1.00 0.00 C ATOM 114 OD1 ASP A 8 2.730 11.386 7.974 1.00 0.00 O ATOM 115 OD2 ASP A 8 1.248 10.619 9.373 1.00 0.00 O ATOM 0 H ASP A 8 0.537 7.883 5.046 1.00 0.00 H new ATOM 0 HA ASP A 8 1.243 10.500 6.150 1.00 0.00 H new ATOM 0 HB2 ASP A 8 1.255 8.444 8.023 1.00 0.00 H new ATOM 0 HB3 ASP A 8 2.924 8.676 7.543 1.00 0.00 H new ATOM 120 N PRO A 9 2.486 9.909 3.878 1.00 0.00 N ATOM 121 CA PRO A 9 3.400 9.685 2.769 1.00 0.00 C ATOM 122 C PRO A 9 4.766 10.293 3.070 1.00 0.00 C ATOM 123 O PRO A 9 4.880 11.516 3.216 1.00 0.00 O ATOM 124 CB PRO A 9 2.767 10.358 1.551 1.00 0.00 C ATOM 125 CG PRO A 9 1.714 11.327 2.086 1.00 0.00 C ATOM 126 CD PRO A 9 1.531 10.966 3.560 1.00 0.00 C ATOM 0 HA PRO A 9 3.557 8.621 2.594 1.00 0.00 H new ATOM 0 HB2 PRO A 9 3.519 10.887 0.966 1.00 0.00 H new ATOM 0 HB3 PRO A 9 2.313 9.618 0.892 1.00 0.00 H new ATOM 0 HG2 PRO A 9 2.040 12.361 1.974 1.00 0.00 H new ATOM 0 HG3 PRO A 9 0.776 11.227 1.539 1.00 0.00 H new ATOM 0 HD2 PRO A 9 1.701 11.838 4.192 1.00 0.00 H new ATOM 0 HD3 PRO A 9 0.511 10.630 3.748 1.00 0.00 H new ATOM 134 N ASN A 10 5.825 9.481 3.109 1.00 0.00 N ATOM 135 CA ASN A 10 7.168 10.048 3.079 1.00 0.00 C ATOM 136 C ASN A 10 7.469 10.643 1.703 1.00 0.00 C ATOM 137 O ASN A 10 6.695 10.500 0.750 1.00 0.00 O ATOM 138 CB ASN A 10 8.261 9.088 3.575 1.00 0.00 C ATOM 139 CG ASN A 10 8.698 7.976 2.627 1.00 0.00 C ATOM 140 OD1 ASN A 10 8.989 8.191 1.455 1.00 0.00 O ATOM 141 ND2 ASN A 10 8.841 6.771 3.143 1.00 0.00 N ATOM 0 H ASN A 10 5.781 8.463 3.160 1.00 0.00 H new ATOM 0 HA ASN A 10 7.185 10.862 3.804 1.00 0.00 H new ATOM 0 HB2 ASN A 10 9.140 9.680 3.829 1.00 0.00 H new ATOM 0 HB3 ASN A 10 7.911 8.626 4.498 1.00 0.00 H new ATOM 0 HD21 ASN A 10 9.196 6.008 2.566 1.00 0.00 H new ATOM 0 HD22 ASN A 10 8.596 6.602 4.119 1.00 0.00 H new ATOM 148 N THR A 11 8.607 11.330 1.605 1.00 0.00 N ATOM 149 CA THR A 11 9.060 12.078 0.426 1.00 0.00 C ATOM 150 C THR A 11 9.437 11.225 -0.807 1.00 0.00 C ATOM 151 O THR A 11 10.305 11.622 -1.590 1.00 0.00 O ATOM 152 CB THR A 11 10.002 13.221 0.784 1.00 0.00 C ATOM 153 OG1 THR A 11 10.450 13.991 -0.319 1.00 0.00 O ATOM 154 CG2 THR A 11 11.139 12.597 1.505 1.00 0.00 C ATOM 0 H THR A 11 9.270 11.384 2.378 1.00 0.00 H new ATOM 0 HA THR A 11 8.172 12.578 0.040 1.00 0.00 H new ATOM 0 HB THR A 11 9.465 13.947 1.394 1.00 0.00 H new ATOM 0 HG1 THR A 11 10.603 13.403 -1.088 1.00 0.00 H new ATOM 0 HG21 THR A 11 11.855 13.367 1.791 1.00 0.00 H new ATOM 0 HG22 THR A 11 10.771 12.094 2.399 1.00 0.00 H new ATOM 0 HG23 THR A 11 11.628 11.871 0.855 1.00 0.00 H new ATOM 162 N ASN A 12 8.831 10.053 -0.974 1.00 0.00 N ATOM 163 CA ASN A 12 8.906 9.239 -2.175 1.00 0.00 C ATOM 164 C ASN A 12 7.525 8.719 -2.605 1.00 0.00 C ATOM 165 O ASN A 12 7.423 8.124 -3.678 1.00 0.00 O ATOM 166 CB ASN A 12 9.932 8.121 -1.974 1.00 0.00 C ATOM 167 CG ASN A 12 10.513 7.619 -3.287 1.00 0.00 C ATOM 168 OD1 ASN A 12 11.573 8.053 -3.734 1.00 0.00 O ATOM 169 ND2 ASN A 12 9.864 6.674 -3.929 1.00 0.00 N ATOM 0 H ASN A 12 8.253 9.632 -0.247 1.00 0.00 H new ATOM 0 HA ASN A 12 9.248 9.860 -3.003 1.00 0.00 H new ATOM 0 HB2 ASN A 12 10.740 8.484 -1.338 1.00 0.00 H new ATOM 0 HB3 ASN A 12 9.461 7.291 -1.448 1.00 0.00 H new ATOM 0 HD21 ASN A 12 10.239 6.299 -4.800 1.00 0.00 H new ATOM 0 HD22 ASN A 12 8.985 6.315 -3.556 1.00 0.00 H new ATOM 176 N CYS A 13 6.444 8.943 -1.840 1.00 0.00 N ATOM 177 CA CYS A 13 5.087 8.723 -2.345 1.00 0.00 C ATOM 178 C CYS A 13 4.760 9.748 -3.445 1.00 0.00 C ATOM 179 O CYS A 13 5.478 10.733 -3.610 1.00 0.00 O ATOM 180 CB CYS A 13 4.107 8.853 -1.180 1.00 0.00 C ATOM 181 SG CYS A 13 2.384 8.433 -1.549 1.00 0.00 S ATOM 0 H CYS A 13 6.487 9.274 -0.876 1.00 0.00 H new ATOM 0 HA CYS A 13 5.007 7.726 -2.779 1.00 0.00 H new ATOM 0 HB2 CYS A 13 4.451 8.213 -0.367 1.00 0.00 H new ATOM 0 HB3 CYS A 13 4.141 9.879 -0.814 1.00 0.00 H new ATOM 0 HG CYS A 13 2.251 7.140 -1.588 1.00 0.00 H new ATOM 186 N ASP A 14 3.654 9.549 -4.164 1.00 0.00 N ATOM 187 CA ASP A 14 3.235 10.331 -5.328 1.00 0.00 C ATOM 188 C ASP A 14 1.727 10.572 -5.258 1.00 0.00 C ATOM 189 O ASP A 14 1.276 11.716 -5.182 1.00 0.00 O ATOM 190 CB ASP A 14 3.622 9.543 -6.587 1.00 0.00 C ATOM 191 CG ASP A 14 3.343 10.227 -7.925 1.00 0.00 C ATOM 192 OD1 ASP A 14 2.582 11.218 -8.026 1.00 0.00 O ATOM 193 OD2 ASP A 14 3.862 9.699 -8.936 1.00 0.00 O ATOM 0 H ASP A 14 2.995 8.803 -3.940 1.00 0.00 H new ATOM 0 HA ASP A 14 3.725 11.304 -5.351 1.00 0.00 H new ATOM 0 HB2 ASP A 14 4.687 9.315 -6.534 1.00 0.00 H new ATOM 0 HB3 ASP A 14 3.091 8.591 -6.572 1.00 0.00 H new ATOM 198 N TYR A 15 0.945 9.488 -5.245 1.00 0.00 N ATOM 199 CA TYR A 15 -0.509 9.547 -5.178 1.00 0.00 C ATOM 200 C TYR A 15 -0.959 10.130 -3.848 1.00 0.00 C ATOM 201 O TYR A 15 -0.513 9.691 -2.790 1.00 0.00 O ATOM 202 CB TYR A 15 -1.097 8.139 -5.307 1.00 0.00 C ATOM 203 CG TYR A 15 -0.870 7.532 -6.665 1.00 0.00 C ATOM 204 CD1 TYR A 15 -1.712 7.873 -7.736 1.00 0.00 C ATOM 205 CD2 TYR A 15 0.196 6.641 -6.855 1.00 0.00 C ATOM 206 CE1 TYR A 15 -1.463 7.355 -9.016 1.00 0.00 C ATOM 207 CE2 TYR A 15 0.436 6.090 -8.131 1.00 0.00 C ATOM 208 CZ TYR A 15 -0.387 6.464 -9.221 1.00 0.00 C ATOM 209 OH TYR A 15 -0.168 5.936 -10.455 1.00 0.00 O ATOM 0 H TYR A 15 1.313 8.537 -5.281 1.00 0.00 H new ATOM 0 HA TYR A 15 -0.858 10.179 -5.995 1.00 0.00 H new ATOM 0 HB2 TYR A 15 -0.654 7.495 -4.548 1.00 0.00 H new ATOM 0 HB3 TYR A 15 -2.168 8.178 -5.106 1.00 0.00 H new ATOM 0 HD1 TYR A 15 -2.551 8.534 -7.574 1.00 0.00 H new ATOM 0 HD2 TYR A 15 0.833 6.377 -6.024 1.00 0.00 H new ATOM 0 HE1 TYR A 15 -2.095 7.638 -9.845 1.00 0.00 H new ATOM 0 HE2 TYR A 15 1.243 5.387 -8.276 1.00 0.00 H new ATOM 0 HH TYR A 15 -0.436 4.993 -10.460 1.00 0.00 H new ATOM 219 N THR A 16 -1.970 10.993 -3.894 1.00 0.00 N ATOM 220 CA THR A 16 -2.664 11.473 -2.711 1.00 0.00 C ATOM 221 C THR A 16 -4.137 11.075 -2.841 1.00 0.00 C ATOM 222 O THR A 16 -5.057 11.894 -2.752 1.00 0.00 O ATOM 223 CB THR A 16 -2.329 12.951 -2.445 1.00 0.00 C ATOM 224 OG1 THR A 16 -2.766 13.805 -3.486 1.00 0.00 O ATOM 225 CG2 THR A 16 -0.815 13.136 -2.271 1.00 0.00 C ATOM 0 H THR A 16 -2.332 11.381 -4.765 1.00 0.00 H new ATOM 0 HA THR A 16 -2.325 11.002 -1.788 1.00 0.00 H new ATOM 0 HB THR A 16 -2.857 13.223 -1.531 1.00 0.00 H new ATOM 0 HG1 THR A 16 -3.679 13.562 -3.747 1.00 0.00 H new ATOM 0 HG21 THR A 16 -0.596 14.187 -2.084 1.00 0.00 H new ATOM 0 HG22 THR A 16 -0.470 12.538 -1.428 1.00 0.00 H new ATOM 0 HG23 THR A 16 -0.303 12.815 -3.178 1.00 0.00 H new ATOM 233 N ASN A 17 -4.365 9.781 -3.092 1.00 0.00 N ATOM 234 CA ASN A 17 -5.667 9.135 -2.941 1.00 0.00 C ATOM 235 C ASN A 17 -5.417 7.888 -2.116 1.00 0.00 C ATOM 236 O ASN A 17 -4.447 7.185 -2.405 1.00 0.00 O ATOM 237 CB ASN A 17 -6.374 8.720 -4.244 1.00 0.00 C ATOM 238 CG ASN A 17 -6.185 9.659 -5.417 1.00 0.00 C ATOM 239 OD1 ASN A 17 -7.050 10.454 -5.766 1.00 0.00 O ATOM 240 ND2 ASN A 17 -5.020 9.596 -6.027 1.00 0.00 N ATOM 0 H ASN A 17 -3.635 9.145 -3.411 1.00 0.00 H new ATOM 0 HA ASN A 17 -6.337 9.865 -2.486 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -6.017 7.731 -4.532 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -7.441 8.627 -4.044 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -4.820 10.218 -6.810 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -4.317 8.925 -5.716 1.00 0.00 H new ATOM 247 N SER A 18 -6.276 7.602 -1.138 1.00 0.00 N ATOM 248 CA SER A 18 -6.186 6.402 -0.310 1.00 0.00 C ATOM 249 C SER A 18 -6.275 5.178 -1.232 1.00 0.00 C ATOM 250 O SER A 18 -5.382 4.334 -1.218 1.00 0.00 O ATOM 251 CB SER A 18 -7.282 6.443 0.781 1.00 0.00 C ATOM 252 OG SER A 18 -8.502 6.908 0.232 1.00 0.00 O ATOM 0 H SER A 18 -7.063 8.205 -0.896 1.00 0.00 H new ATOM 0 HA SER A 18 -5.236 6.344 0.221 1.00 0.00 H new ATOM 0 HB2 SER A 18 -7.421 5.448 1.204 1.00 0.00 H new ATOM 0 HB3 SER A 18 -6.970 7.096 1.596 1.00 0.00 H new ATOM 0 HG SER A 18 -9.189 6.928 0.931 1.00 0.00 H new ATOM 258 N GLN A 19 -7.320 5.120 -2.068 1.00 0.00 N ATOM 259 CA GLN A 19 -7.629 4.002 -2.954 1.00 0.00 C ATOM 260 C GLN A 19 -6.496 3.724 -3.945 1.00 0.00 C ATOM 261 O GLN A 19 -5.981 2.617 -3.937 1.00 0.00 O ATOM 262 CB GLN A 19 -8.972 4.264 -3.654 1.00 0.00 C ATOM 263 CG GLN A 19 -9.502 3.115 -4.520 1.00 0.00 C ATOM 264 CD GLN A 19 -10.143 1.984 -3.723 1.00 0.00 C ATOM 265 OE1 GLN A 19 -11.308 2.070 -3.339 1.00 0.00 O ATOM 266 NE2 GLN A 19 -9.446 0.884 -3.510 1.00 0.00 N ATOM 0 H GLN A 19 -7.995 5.881 -2.145 1.00 0.00 H new ATOM 0 HA GLN A 19 -7.723 3.094 -2.358 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -9.718 4.497 -2.894 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -8.868 5.150 -4.281 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -10.235 3.511 -5.223 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -8.680 2.710 -5.111 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -8.480 0.822 -3.832 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -9.873 0.096 -3.023 1.00 0.00 H new ATOM 275 N ASP A 20 -6.099 4.666 -4.811 1.00 0.00 N ATOM 276 CA ASP A 20 -5.079 4.407 -5.839 1.00 0.00 C ATOM 277 C ASP A 20 -3.760 3.995 -5.209 1.00 0.00 C ATOM 278 O ASP A 20 -3.197 2.981 -5.627 1.00 0.00 O ATOM 279 CB ASP A 20 -4.870 5.627 -6.746 1.00 0.00 C ATOM 280 CG ASP A 20 -5.833 5.623 -7.926 1.00 0.00 C ATOM 281 OD1 ASP A 20 -5.872 4.621 -8.680 1.00 0.00 O ATOM 282 OD2 ASP A 20 -6.604 6.600 -8.047 1.00 0.00 O ATOM 0 H ASP A 20 -6.469 5.617 -4.821 1.00 0.00 H new ATOM 0 HA ASP A 20 -5.445 3.584 -6.453 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -5.009 6.540 -6.166 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -3.844 5.636 -7.114 1.00 0.00 H new ATOM 287 N ALA A 21 -3.252 4.746 -4.224 1.00 0.00 N ATOM 288 CA ALA A 21 -2.035 4.368 -3.513 1.00 0.00 C ATOM 289 C ALA A 21 -2.156 2.937 -2.975 1.00 0.00 C ATOM 290 O ALA A 21 -1.325 2.094 -3.320 1.00 0.00 O ATOM 291 CB ALA A 21 -1.704 5.392 -2.431 1.00 0.00 C ATOM 0 H ALA A 21 -3.670 5.620 -3.904 1.00 0.00 H new ATOM 0 HA ALA A 21 -1.193 4.372 -4.206 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -0.793 5.092 -1.912 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -1.555 6.370 -2.889 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -2.526 5.446 -1.718 1.00 0.00 H new ATOM 297 N TRP A 22 -3.205 2.644 -2.195 1.00 0.00 N ATOM 298 CA TRP A 22 -3.456 1.321 -1.636 1.00 0.00 C ATOM 299 C TRP A 22 -3.486 0.272 -2.752 1.00 0.00 C ATOM 300 O TRP A 22 -2.828 -0.757 -2.645 1.00 0.00 O ATOM 301 CB TRP A 22 -4.793 1.330 -0.880 1.00 0.00 C ATOM 302 CG TRP A 22 -5.323 0.015 -0.389 1.00 0.00 C ATOM 303 CD1 TRP A 22 -6.113 -0.825 -1.095 1.00 0.00 C ATOM 304 CD2 TRP A 22 -5.189 -0.582 0.934 1.00 0.00 C ATOM 305 NE1 TRP A 22 -6.488 -1.888 -0.295 1.00 0.00 N ATOM 306 CE2 TRP A 22 -5.970 -1.775 0.982 1.00 0.00 C ATOM 307 CE3 TRP A 22 -4.519 -0.205 2.114 1.00 0.00 C ATOM 308 CZ2 TRP A 22 -6.088 -2.542 2.155 1.00 0.00 C ATOM 309 CZ3 TRP A 22 -4.683 -0.928 3.307 1.00 0.00 C ATOM 310 CH2 TRP A 22 -5.448 -2.101 3.322 1.00 0.00 C ATOM 0 H TRP A 22 -3.910 3.334 -1.934 1.00 0.00 H new ATOM 0 HA TRP A 22 -2.654 1.066 -0.944 1.00 0.00 H new ATOM 0 HB2 TRP A 22 -4.688 1.992 -0.020 1.00 0.00 H new ATOM 0 HB3 TRP A 22 -5.545 1.772 -1.533 1.00 0.00 H new ATOM 0 HD1 TRP A 22 -6.406 -0.687 -2.125 1.00 0.00 H new ATOM 0 HE1 TRP A 22 -7.075 -2.661 -0.608 1.00 0.00 H new ATOM 0 HE3 TRP A 22 -3.867 0.656 2.101 1.00 0.00 H new ATOM 0 HZ2 TRP A 22 -6.663 -3.456 2.157 1.00 0.00 H new ATOM 0 HZ3 TRP A 22 -4.217 -0.578 4.216 1.00 0.00 H new ATOM 0 HH2 TRP A 22 -5.545 -2.668 4.236 1.00 0.00 H new ATOM 321 N ASP A 23 -4.235 0.490 -3.831 1.00 0.00 N ATOM 322 CA ASP A 23 -4.458 -0.478 -4.907 1.00 0.00 C ATOM 323 C ASP A 23 -3.114 -0.924 -5.466 1.00 0.00 C ATOM 324 O ASP A 23 -2.793 -2.115 -5.497 1.00 0.00 O ATOM 325 CB ASP A 23 -5.318 0.115 -6.042 1.00 0.00 C ATOM 326 CG ASP A 23 -6.807 0.238 -5.727 1.00 0.00 C ATOM 327 OD1 ASP A 23 -7.278 -0.362 -4.733 1.00 0.00 O ATOM 328 OD2 ASP A 23 -7.513 0.918 -6.505 1.00 0.00 O ATOM 0 H ASP A 23 -4.720 1.374 -3.987 1.00 0.00 H new ATOM 0 HA ASP A 23 -4.998 -1.329 -4.491 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -4.932 1.103 -6.291 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -5.200 -0.507 -6.930 1.00 0.00 H new ATOM 333 N TYR A 24 -2.293 0.041 -5.868 1.00 0.00 N ATOM 334 CA TYR A 24 -0.976 -0.233 -6.407 1.00 0.00 C ATOM 335 C TYR A 24 -0.110 -0.927 -5.336 1.00 0.00 C ATOM 336 O TYR A 24 0.504 -1.957 -5.630 1.00 0.00 O ATOM 337 CB TYR A 24 -0.345 1.081 -6.858 1.00 0.00 C ATOM 338 CG TYR A 24 -0.786 1.638 -8.210 1.00 0.00 C ATOM 339 CD1 TYR A 24 -2.125 2.005 -8.483 1.00 0.00 C ATOM 340 CD2 TYR A 24 0.204 1.890 -9.181 1.00 0.00 C ATOM 341 CE1 TYR A 24 -2.459 2.609 -9.713 1.00 0.00 C ATOM 342 CE2 TYR A 24 -0.122 2.477 -10.413 1.00 0.00 C ATOM 343 CZ TYR A 24 -1.456 2.846 -10.686 1.00 0.00 C ATOM 344 OH TYR A 24 -1.760 3.441 -11.875 1.00 0.00 O ATOM 0 H TYR A 24 -2.527 1.033 -5.827 1.00 0.00 H new ATOM 0 HA TYR A 24 -1.050 -0.901 -7.265 1.00 0.00 H new ATOM 0 HB2 TYR A 24 -0.553 1.834 -6.098 1.00 0.00 H new ATOM 0 HB3 TYR A 24 0.736 0.945 -6.885 1.00 0.00 H new ATOM 0 HD1 TYR A 24 -2.894 1.822 -7.747 1.00 0.00 H new ATOM 0 HD2 TYR A 24 1.231 1.627 -8.973 1.00 0.00 H new ATOM 0 HE1 TYR A 24 -3.482 2.892 -9.914 1.00 0.00 H new ATOM 0 HE2 TYR A 24 0.648 2.646 -11.152 1.00 0.00 H new ATOM 0 HH TYR A 24 -0.947 3.524 -12.417 1.00 0.00 H new ATOM 354 N CYS A 25 -0.088 -0.424 -4.090 1.00 0.00 N ATOM 355 CA CYS A 25 0.649 -1.053 -2.983 1.00 0.00 C ATOM 356 C CYS A 25 0.292 -2.537 -2.833 1.00 0.00 C ATOM 357 O CYS A 25 1.156 -3.365 -2.542 1.00 0.00 O ATOM 358 CB CYS A 25 0.358 -0.387 -1.627 1.00 0.00 C ATOM 359 SG CYS A 25 0.859 1.328 -1.352 1.00 0.00 S ATOM 0 H CYS A 25 -0.580 0.429 -3.823 1.00 0.00 H new ATOM 0 HA CYS A 25 1.701 -0.931 -3.241 1.00 0.00 H new ATOM 0 HB2 CYS A 25 -0.718 -0.444 -1.459 1.00 0.00 H new ATOM 0 HB3 CYS A 25 0.833 -0.994 -0.856 1.00 0.00 H new ATOM 0 HG CYS A 25 0.118 2.117 -2.071 1.00 0.00 H new ATOM 364 N THR A 26 -0.980 -2.870 -3.034 1.00 0.00 N ATOM 365 CA THR A 26 -1.592 -4.165 -2.775 1.00 0.00 C ATOM 366 C THR A 26 -1.659 -5.012 -4.057 1.00 0.00 C ATOM 367 O THR A 26 -2.383 -6.008 -4.116 1.00 0.00 O ATOM 368 CB THR A 26 -2.906 -3.944 -2.008 1.00 0.00 C ATOM 369 OG1 THR A 26 -3.875 -3.234 -2.755 1.00 0.00 O ATOM 370 CG2 THR A 26 -2.659 -3.172 -0.709 1.00 0.00 C ATOM 0 H THR A 26 -1.651 -2.198 -3.406 1.00 0.00 H new ATOM 0 HA THR A 26 -0.980 -4.783 -2.118 1.00 0.00 H new ATOM 0 HB THR A 26 -3.289 -4.943 -1.801 1.00 0.00 H new ATOM 0 HG1 THR A 26 -3.522 -2.352 -2.994 1.00 0.00 H new ATOM 0 HG21 THR A 26 -3.604 -3.029 -0.185 1.00 0.00 H new ATOM 0 HG22 THR A 26 -1.975 -3.736 -0.075 1.00 0.00 H new ATOM 0 HG23 THR A 26 -2.222 -2.201 -0.940 1.00 0.00 H new ATOM 378 N ASN A 27 -0.870 -4.643 -5.083 1.00 0.00 N ATOM 379 CA ASN A 27 -0.691 -5.339 -6.366 1.00 0.00 C ATOM 380 C ASN A 27 -2.011 -5.510 -7.140 1.00 0.00 C ATOM 381 O ASN A 27 -2.114 -6.277 -8.095 1.00 0.00 O ATOM 382 CB ASN A 27 0.120 -6.630 -6.133 1.00 0.00 C ATOM 383 CG ASN A 27 0.755 -7.251 -7.375 1.00 0.00 C ATOM 384 OD1 ASN A 27 1.954 -7.121 -7.609 1.00 0.00 O ATOM 385 ND2 ASN A 27 0.020 -8.037 -8.128 1.00 0.00 N ATOM 0 H ASN A 27 -0.305 -3.795 -5.032 1.00 0.00 H new ATOM 0 HA ASN A 27 -0.101 -4.721 -7.044 1.00 0.00 H new ATOM 0 HB2 ASN A 27 0.910 -6.415 -5.413 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -0.536 -7.370 -5.675 1.00 0.00 H new ATOM 0 HD21 ASN A 27 0.445 -8.540 -8.907 1.00 0.00 H new ATOM 0 HD22 ASN A 27 -0.975 -8.145 -7.933 1.00 0.00 H new ATOM 392 N TYR A 28 -3.035 -4.753 -6.750 1.00 0.00 N ATOM 393 CA TYR A 28 -4.339 -4.700 -7.395 1.00 0.00 C ATOM 394 C TYR A 28 -4.188 -4.218 -8.842 1.00 0.00 C ATOM 395 O TYR A 28 -4.904 -4.664 -9.733 1.00 0.00 O ATOM 396 CB TYR A 28 -5.196 -3.758 -6.537 1.00 0.00 C ATOM 397 CG TYR A 28 -6.683 -3.780 -6.769 1.00 0.00 C ATOM 398 CD1 TYR A 28 -7.464 -4.808 -6.213 1.00 0.00 C ATOM 399 CD2 TYR A 28 -7.303 -2.731 -7.470 1.00 0.00 C ATOM 400 CE1 TYR A 28 -8.849 -4.831 -6.400 1.00 0.00 C ATOM 401 CE2 TYR A 28 -8.680 -2.772 -7.721 1.00 0.00 C ATOM 402 CZ TYR A 28 -9.454 -3.847 -7.215 1.00 0.00 C ATOM 403 OH TYR A 28 -10.765 -3.982 -7.548 1.00 0.00 O ATOM 0 H TYR A 28 -2.972 -4.135 -5.941 1.00 0.00 H new ATOM 0 HA TYR A 28 -4.817 -5.677 -7.458 1.00 0.00 H new ATOM 0 HB2 TYR A 28 -5.014 -3.996 -5.489 1.00 0.00 H new ATOM 0 HB3 TYR A 28 -4.844 -2.739 -6.699 1.00 0.00 H new ATOM 0 HD1 TYR A 28 -6.989 -5.588 -5.636 1.00 0.00 H new ATOM 0 HD2 TYR A 28 -6.717 -1.892 -7.815 1.00 0.00 H new ATOM 0 HE1 TYR A 28 -9.451 -5.593 -5.927 1.00 0.00 H new ATOM 0 HE2 TYR A 28 -9.150 -1.989 -8.297 1.00 0.00 H new ATOM 0 HH TYR A 28 -11.039 -3.228 -8.111 1.00 0.00 H new ATOM 413 N ILE A 29 -3.198 -3.356 -9.081 1.00 0.00 N ATOM 414 CA ILE A 29 -2.909 -2.694 -10.339 1.00 0.00 C ATOM 415 C ILE A 29 -1.426 -2.958 -10.591 1.00 0.00 C ATOM 416 O ILE A 29 -0.598 -2.381 -9.884 1.00 0.00 O ATOM 417 CB ILE A 29 -3.267 -1.199 -10.238 1.00 0.00 C ATOM 418 CG1 ILE A 29 -4.751 -1.005 -9.869 1.00 0.00 C ATOM 419 CG2 ILE A 29 -2.903 -0.437 -11.519 1.00 0.00 C ATOM 420 CD1 ILE A 29 -5.787 -1.352 -10.944 1.00 0.00 C ATOM 0 H ILE A 29 -2.539 -3.090 -8.349 1.00 0.00 H new ATOM 0 HA ILE A 29 -3.498 -3.066 -11.177 1.00 0.00 H new ATOM 0 HB ILE A 29 -2.667 -0.775 -9.433 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -4.963 -1.610 -8.987 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -4.895 0.037 -9.583 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -3.172 0.613 -11.406 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -1.831 -0.520 -11.700 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -3.447 -0.862 -12.362 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -6.789 -1.171 -10.556 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -5.621 -0.730 -11.824 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -5.689 -2.402 -11.218 1.00 0.00 H new ATOM 432 N VAL A 30 -1.092 -3.871 -11.510 1.00 0.00 N ATOM 433 CA VAL A 30 0.276 -4.292 -11.824 1.00 0.00 C ATOM 434 C VAL A 30 1.182 -3.083 -12.099 1.00 0.00 C ATOM 435 O VAL A 30 0.912 -2.286 -13.004 1.00 0.00 O ATOM 436 CB VAL A 30 0.293 -5.306 -12.986 1.00 0.00 C ATOM 437 CG1 VAL A 30 0.108 -6.714 -12.418 1.00 0.00 C ATOM 438 CG2 VAL A 30 -0.743 -5.048 -14.091 1.00 0.00 C ATOM 0 H VAL A 30 -1.792 -4.353 -12.074 1.00 0.00 H new ATOM 0 HA VAL A 30 0.681 -4.800 -10.949 1.00 0.00 H new ATOM 0 HB VAL A 30 1.261 -5.192 -13.473 1.00 0.00 H new ATOM 0 HG11 VAL A 30 0.119 -7.439 -13.232 1.00 0.00 H new ATOM 0 HG12 VAL A 30 0.919 -6.936 -11.724 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -0.845 -6.772 -11.893 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -0.651 -5.814 -14.861 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -1.746 -5.080 -13.665 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -0.568 -4.067 -14.532 1.00 0.00 H new ATOM 448 N ASN A 31 2.230 -2.911 -11.284 1.00 0.00 N ATOM 449 CA ASN A 31 3.010 -1.665 -11.241 1.00 0.00 C ATOM 450 C ASN A 31 4.488 -1.805 -10.852 1.00 0.00 C ATOM 451 O ASN A 31 5.211 -0.812 -10.892 1.00 0.00 O ATOM 452 CB ASN A 31 2.329 -0.689 -10.276 1.00 0.00 C ATOM 453 CG ASN A 31 2.496 -1.103 -8.815 1.00 0.00 C ATOM 454 OD1 ASN A 31 3.563 -1.046 -8.218 1.00 0.00 O ATOM 455 ND2 ASN A 31 1.441 -1.595 -8.204 1.00 0.00 N ATOM 0 H ASN A 31 2.561 -3.627 -10.638 1.00 0.00 H new ATOM 0 HA ASN A 31 3.024 -1.302 -12.269 1.00 0.00 H new ATOM 0 HB2 ASN A 31 2.745 0.308 -10.418 1.00 0.00 H new ATOM 0 HB3 ASN A 31 1.267 -0.628 -10.514 1.00 0.00 H new ATOM 0 HD21 ASN A 31 1.517 -1.925 -7.242 1.00 0.00 H new ATOM 0 HD22 ASN A 31 0.547 -1.647 -8.692 1.00 0.00 H new ATOM 462 N SER A 32 4.953 -2.999 -10.482 1.00 0.00 N ATOM 463 CA SER A 32 6.360 -3.321 -10.226 1.00 0.00 C ATOM 464 C SER A 32 7.063 -2.525 -9.107 1.00 0.00 C ATOM 465 O SER A 32 8.291 -2.606 -8.976 1.00 0.00 O ATOM 466 CB SER A 32 7.122 -3.389 -11.555 1.00 0.00 C ATOM 467 OG SER A 32 6.636 -4.508 -12.278 1.00 0.00 O ATOM 0 H SER A 32 4.337 -3.800 -10.347 1.00 0.00 H new ATOM 0 HA SER A 32 6.370 -4.312 -9.773 1.00 0.00 H new ATOM 0 HB2 SER A 32 6.975 -2.472 -12.126 1.00 0.00 H new ATOM 0 HB3 SER A 32 8.193 -3.486 -11.377 1.00 0.00 H new ATOM 0 HG SER A 32 7.107 -4.573 -13.135 1.00 0.00 H new ATOM 473 N SER A 33 6.306 -1.847 -8.235 1.00 0.00 N ATOM 474 CA SER A 33 6.813 -1.126 -7.060 1.00 0.00 C ATOM 475 C SER A 33 6.158 -1.582 -5.742 1.00 0.00 C ATOM 476 O SER A 33 6.523 -1.083 -4.680 1.00 0.00 O ATOM 477 CB SER A 33 6.596 0.381 -7.256 1.00 0.00 C ATOM 478 OG SER A 33 7.129 0.850 -8.487 1.00 0.00 O ATOM 0 H SER A 33 5.293 -1.783 -8.331 1.00 0.00 H new ATOM 0 HA SER A 33 7.876 -1.353 -6.976 1.00 0.00 H new ATOM 0 HB2 SER A 33 5.529 0.599 -7.219 1.00 0.00 H new ATOM 0 HB3 SER A 33 7.061 0.922 -6.432 1.00 0.00 H new ATOM 0 HG SER A 33 6.966 1.813 -8.568 1.00 0.00 H new ATOM 484 N CYS A 34 5.183 -2.494 -5.790 1.00 0.00 N ATOM 485 CA CYS A 34 4.351 -2.937 -4.672 1.00 0.00 C ATOM 486 C CYS A 34 5.144 -3.691 -3.580 1.00 0.00 C ATOM 487 O CYS A 34 6.371 -3.812 -3.656 1.00 0.00 O ATOM 488 CB CYS A 34 3.230 -3.804 -5.251 1.00 0.00 C ATOM 489 SG CYS A 34 3.842 -5.375 -5.884 1.00 0.00 S ATOM 0 H CYS A 34 4.941 -2.969 -6.660 1.00 0.00 H new ATOM 0 HA CYS A 34 3.944 -2.063 -4.164 1.00 0.00 H new ATOM 0 HB2 CYS A 34 2.483 -3.991 -4.480 1.00 0.00 H new ATOM 0 HB3 CYS A 34 2.731 -3.261 -6.053 1.00 0.00 H new ATOM 0 HG CYS A 34 2.916 -5.947 -6.595 1.00 0.00 H new ATOM 494 N GLY A 35 4.446 -4.239 -2.575 1.00 0.00 N ATOM 495 CA GLY A 35 5.034 -4.913 -1.427 1.00 0.00 C ATOM 496 C GLY A 35 5.078 -3.979 -0.221 1.00 0.00 C ATOM 497 O GLY A 35 4.498 -2.890 -0.254 1.00 0.00 O ATOM 0 H GLY A 35 3.427 -4.221 -2.545 1.00 0.00 H new ATOM 0 HA2 GLY A 35 4.453 -5.803 -1.184 1.00 0.00 H new ATOM 0 HA3 GLY A 35 6.042 -5.248 -1.672 1.00 0.00 H new ATOM 501 N GLU A 36 5.687 -4.427 0.885 1.00 0.00 N ATOM 502 CA GLU A 36 5.645 -3.711 2.168 1.00 0.00 C ATOM 503 C GLU A 36 6.228 -2.302 2.059 1.00 0.00 C ATOM 504 O GLU A 36 5.757 -1.393 2.735 1.00 0.00 O ATOM 505 CB GLU A 36 6.323 -4.521 3.279 1.00 0.00 C ATOM 506 CG GLU A 36 7.861 -4.532 3.281 1.00 0.00 C ATOM 507 CD GLU A 36 8.416 -5.494 4.338 1.00 0.00 C ATOM 508 OE1 GLU A 36 7.889 -6.624 4.462 1.00 0.00 O ATOM 509 OE2 GLU A 36 9.367 -5.135 5.070 1.00 0.00 O ATOM 0 H GLU A 36 6.222 -5.295 0.916 1.00 0.00 H new ATOM 0 HA GLU A 36 4.595 -3.595 2.438 1.00 0.00 H new ATOM 0 HB2 GLU A 36 5.984 -4.133 4.239 1.00 0.00 H new ATOM 0 HB3 GLU A 36 5.975 -5.552 3.211 1.00 0.00 H new ATOM 0 HG2 GLU A 36 8.225 -4.824 2.296 1.00 0.00 H new ATOM 0 HG3 GLU A 36 8.233 -3.525 3.473 1.00 0.00 H new ATOM 516 N ILE A 37 7.205 -2.123 1.169 1.00 0.00 N ATOM 517 CA ILE A 37 7.845 -0.856 0.851 1.00 0.00 C ATOM 518 C ILE A 37 6.801 0.178 0.439 1.00 0.00 C ATOM 519 O ILE A 37 6.805 1.276 0.981 1.00 0.00 O ATOM 520 CB ILE A 37 8.923 -1.082 -0.218 1.00 0.00 C ATOM 521 CG1 ILE A 37 10.016 -1.939 0.461 1.00 0.00 C ATOM 522 CG2 ILE A 37 9.451 0.255 -0.779 1.00 0.00 C ATOM 523 CD1 ILE A 37 11.169 -2.270 -0.463 1.00 0.00 C ATOM 0 H ILE A 37 7.586 -2.898 0.627 1.00 0.00 H new ATOM 0 HA ILE A 37 8.343 -0.454 1.733 1.00 0.00 H new ATOM 0 HB ILE A 37 8.530 -1.602 -1.092 1.00 0.00 H new ATOM 0 HG12 ILE A 37 10.398 -1.407 1.333 1.00 0.00 H new ATOM 0 HG13 ILE A 37 9.570 -2.866 0.823 1.00 0.00 H new ATOM 0 HG21 ILE A 37 10.213 0.058 -1.533 1.00 0.00 H new ATOM 0 HG22 ILE A 37 8.629 0.810 -1.230 1.00 0.00 H new ATOM 0 HG23 ILE A 37 9.885 0.843 0.030 1.00 0.00 H new ATOM 0 HD11 ILE A 37 11.903 -2.873 0.072 1.00 0.00 H new ATOM 0 HD12 ILE A 37 10.798 -2.828 -1.322 1.00 0.00 H new ATOM 0 HD13 ILE A 37 11.638 -1.347 -0.805 1.00 0.00 H new ATOM 535 N CYS A 38 5.913 -0.166 -0.496 1.00 0.00 N ATOM 536 CA CYS A 38 4.938 0.773 -1.036 1.00 0.00 C ATOM 537 C CYS A 38 3.966 1.201 0.066 1.00 0.00 C ATOM 538 O CYS A 38 3.649 2.380 0.194 1.00 0.00 O ATOM 539 CB CYS A 38 4.227 0.115 -2.225 1.00 0.00 C ATOM 540 SG CYS A 38 3.506 1.257 -3.433 1.00 0.00 S ATOM 0 H CYS A 38 5.853 -1.102 -0.897 1.00 0.00 H new ATOM 0 HA CYS A 38 5.428 1.678 -1.395 1.00 0.00 H new ATOM 0 HB2 CYS A 38 4.939 -0.529 -2.740 1.00 0.00 H new ATOM 0 HB3 CYS A 38 3.435 -0.528 -1.842 1.00 0.00 H new ATOM 0 HG CYS A 38 2.351 1.671 -3.003 1.00 0.00 H new ATOM 545 N CYS A 39 3.546 0.254 0.914 1.00 0.00 N ATOM 546 CA CYS A 39 2.822 0.546 2.138 1.00 0.00 C ATOM 547 C CYS A 39 3.615 1.562 2.958 1.00 0.00 C ATOM 548 O CYS A 39 3.098 2.634 3.228 1.00 0.00 O ATOM 549 CB CYS A 39 2.579 -0.750 2.920 1.00 0.00 C ATOM 550 SG CYS A 39 2.042 -2.207 1.982 1.00 0.00 S ATOM 0 H CYS A 39 3.705 -0.742 0.760 1.00 0.00 H new ATOM 0 HA CYS A 39 1.848 0.978 1.907 1.00 0.00 H new ATOM 0 HB2 CYS A 39 3.502 -1.007 3.441 1.00 0.00 H new ATOM 0 HB3 CYS A 39 1.828 -0.546 3.684 1.00 0.00 H new ATOM 0 HG CYS A 39 0.804 -2.055 1.615 1.00 0.00 H new ATOM 555 N ASN A 40 4.857 1.242 3.320 1.00 0.00 N ATOM 556 CA ASN A 40 5.715 2.052 4.179 1.00 0.00 C ATOM 557 C ASN A 40 5.893 3.472 3.654 1.00 0.00 C ATOM 558 O ASN A 40 6.015 4.407 4.445 1.00 0.00 O ATOM 559 CB ASN A 40 7.099 1.385 4.281 1.00 0.00 C ATOM 560 CG ASN A 40 7.297 0.628 5.576 1.00 0.00 C ATOM 561 OD1 ASN A 40 8.348 0.700 6.200 1.00 0.00 O ATOM 562 ND2 ASN A 40 6.325 -0.158 6.004 1.00 0.00 N ATOM 0 H ASN A 40 5.308 0.381 3.011 1.00 0.00 H new ATOM 0 HA ASN A 40 5.233 2.116 5.155 1.00 0.00 H new ATOM 0 HB2 ASN A 40 7.229 0.700 3.443 1.00 0.00 H new ATOM 0 HB3 ASN A 40 7.872 2.149 4.191 1.00 0.00 H new ATOM 0 HD21 ASN A 40 6.450 -0.706 6.855 1.00 0.00 H new ATOM 0 HD22 ASN A 40 5.450 -0.217 5.483 1.00 0.00 H new ATOM 569 N ASP A 41 5.970 3.625 2.334 1.00 0.00 N ATOM 570 CA ASP A 41 6.287 4.890 1.689 1.00 0.00 C ATOM 571 C ASP A 41 5.066 5.797 1.608 1.00 0.00 C ATOM 572 O ASP A 41 5.208 7.014 1.735 1.00 0.00 O ATOM 573 CB ASP A 41 6.937 4.651 0.309 1.00 0.00 C ATOM 574 CG ASP A 41 8.471 4.686 0.350 1.00 0.00 C ATOM 575 OD1 ASP A 41 9.073 4.536 1.439 1.00 0.00 O ATOM 576 OD2 ASP A 41 9.099 4.921 -0.707 1.00 0.00 O ATOM 0 H ASP A 41 5.811 2.862 1.676 1.00 0.00 H new ATOM 0 HA ASP A 41 7.018 5.414 2.304 1.00 0.00 H new ATOM 0 HB2 ASP A 41 6.612 3.684 -0.076 1.00 0.00 H new ATOM 0 HB3 ASP A 41 6.581 5.408 -0.389 1.00 0.00 H new ATOM 581 N CYS A 42 3.864 5.236 1.442 1.00 0.00 N ATOM 582 CA CYS A 42 2.629 6.011 1.364 1.00 0.00 C ATOM 583 C CYS A 42 1.895 6.110 2.714 1.00 0.00 C ATOM 584 O CYS A 42 1.009 6.952 2.876 1.00 0.00 O ATOM 585 CB CYS A 42 1.709 5.400 0.300 1.00 0.00 C ATOM 586 SG CYS A 42 2.453 5.034 -1.318 1.00 0.00 S ATOM 0 H CYS A 42 3.723 4.229 1.358 1.00 0.00 H new ATOM 0 HA CYS A 42 2.901 7.029 1.086 1.00 0.00 H new ATOM 0 HB2 CYS A 42 1.295 4.474 0.700 1.00 0.00 H new ATOM 0 HB3 CYS A 42 0.873 6.081 0.143 1.00 0.00 H new ATOM 0 HG CYS A 42 3.148 3.938 -1.238 1.00 0.00 H new ATOM 591 N PHE A 43 2.217 5.256 3.685 1.00 0.00 N ATOM 592 CA PHE A 43 1.460 5.067 4.913 1.00 0.00 C ATOM 593 C PHE A 43 2.431 4.876 6.088 1.00 0.00 C ATOM 594 O PHE A 43 3.496 4.277 5.925 1.00 0.00 O ATOM 595 CB PHE A 43 0.574 3.819 4.757 1.00 0.00 C ATOM 596 CG PHE A 43 -0.516 3.867 3.694 1.00 0.00 C ATOM 597 CD1 PHE A 43 -1.788 4.321 4.066 1.00 0.00 C ATOM 598 CD2 PHE A 43 -0.346 3.296 2.412 1.00 0.00 C ATOM 599 CE1 PHE A 43 -2.868 4.251 3.172 1.00 0.00 C ATOM 600 CE2 PHE A 43 -1.436 3.184 1.532 1.00 0.00 C ATOM 601 CZ PHE A 43 -2.702 3.661 1.910 1.00 0.00 C ATOM 0 H PHE A 43 3.042 4.658 3.632 1.00 0.00 H new ATOM 0 HA PHE A 43 0.836 5.939 5.108 1.00 0.00 H new ATOM 0 HB2 PHE A 43 1.222 2.970 4.538 1.00 0.00 H new ATOM 0 HB3 PHE A 43 0.100 3.619 5.718 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -1.940 4.730 5.054 1.00 0.00 H new ATOM 0 HD2 PHE A 43 0.628 2.943 2.107 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -3.829 4.652 3.456 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -1.300 2.730 0.562 1.00 0.00 H new ATOM 0 HZ PHE A 43 -3.540 3.574 1.235 1.00 0.00 H new ATOM 611 N ASP A 44 2.029 5.263 7.308 1.00 0.00 N ATOM 612 CA ASP A 44 2.733 4.828 8.533 1.00 0.00 C ATOM 613 C ASP A 44 2.645 3.294 8.672 1.00 0.00 C ATOM 614 O ASP A 44 1.953 2.617 7.905 1.00 0.00 O ATOM 615 CB ASP A 44 2.176 5.412 9.840 1.00 0.00 C ATOM 616 CG ASP A 44 2.166 6.902 10.061 1.00 0.00 C ATOM 617 OD1 ASP A 44 3.264 7.496 10.084 1.00 0.00 O ATOM 618 OD2 ASP A 44 1.069 7.402 10.416 1.00 0.00 O ATOM 0 H ASP A 44 1.228 5.871 7.477 1.00 0.00 H new ATOM 0 HA ASP A 44 3.752 5.192 8.405 1.00 0.00 H new ATOM 0 HB2 ASP A 44 1.148 5.064 9.937 1.00 0.00 H new ATOM 0 HB3 ASP A 44 2.741 4.968 10.659 1.00 0.00 H new ATOM 623 N GLU A 45 3.262 2.743 9.721 1.00 0.00 N ATOM 624 CA GLU A 45 3.295 1.325 10.064 1.00 0.00 C ATOM 625 C GLU A 45 1.894 0.753 10.305 1.00 0.00 C ATOM 626 O GLU A 45 1.615 -0.371 9.898 1.00 0.00 O ATOM 627 CB GLU A 45 4.135 1.123 11.324 1.00 0.00 C ATOM 628 CG GLU A 45 5.638 1.345 11.120 1.00 0.00 C ATOM 629 CD GLU A 45 6.343 1.314 12.475 1.00 0.00 C ATOM 630 OE1 GLU A 45 6.150 2.275 13.253 1.00 0.00 O ATOM 631 OE2 GLU A 45 7.017 0.318 12.830 1.00 0.00 O ATOM 0 H GLU A 45 3.781 3.311 10.391 1.00 0.00 H new ATOM 0 HA GLU A 45 3.734 0.797 9.218 1.00 0.00 H new ATOM 0 HB2 GLU A 45 3.780 1.805 12.097 1.00 0.00 H new ATOM 0 HB3 GLU A 45 3.976 0.110 11.695 1.00 0.00 H new ATOM 0 HG2 GLU A 45 6.046 0.573 10.468 1.00 0.00 H new ATOM 0 HG3 GLU A 45 5.812 2.302 10.629 1.00 0.00 H new ATOM 638 N THR A 46 1.014 1.492 10.978 1.00 0.00 N ATOM 639 CA THR A 46 -0.304 1.006 11.377 1.00 0.00 C ATOM 640 C THR A 46 -1.210 0.764 10.168 1.00 0.00 C ATOM 641 O THR A 46 -1.773 -0.330 10.038 1.00 0.00 O ATOM 642 CB THR A 46 -0.891 2.019 12.360 1.00 0.00 C ATOM 643 OG1 THR A 46 -0.056 2.031 13.500 1.00 0.00 O ATOM 644 CG2 THR A 46 -2.327 1.709 12.774 1.00 0.00 C ATOM 0 H THR A 46 1.198 2.454 11.264 1.00 0.00 H new ATOM 0 HA THR A 46 -0.219 0.035 11.865 1.00 0.00 H new ATOM 0 HB THR A 46 -0.930 2.990 11.867 1.00 0.00 H new ATOM 0 HG1 THR A 46 -0.403 2.674 14.153 1.00 0.00 H new ATOM 0 HG21 THR A 46 -2.677 2.470 13.472 1.00 0.00 H new ATOM 0 HG22 THR A 46 -2.967 1.704 11.892 1.00 0.00 H new ATOM 0 HG23 THR A 46 -2.364 0.731 13.254 1.00 0.00 H new ATOM 652 N GLY A 47 -1.330 1.761 9.285 1.00 0.00 N ATOM 653 CA GLY A 47 -2.003 1.628 7.998 1.00 0.00 C ATOM 654 C GLY A 47 -1.344 0.476 7.245 1.00 0.00 C ATOM 655 O GLY A 47 -2.003 -0.474 6.810 1.00 0.00 O ATOM 0 H GLY A 47 -0.955 2.695 9.451 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -3.066 1.433 8.141 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -1.923 2.553 7.427 1.00 0.00 H new ATOM 659 N THR A 48 -0.007 0.533 7.163 1.00 0.00 N ATOM 660 CA THR A 48 0.816 -0.486 6.538 1.00 0.00 C ATOM 661 C THR A 48 0.403 -1.880 6.973 1.00 0.00 C ATOM 662 O THR A 48 0.227 -2.705 6.088 1.00 0.00 O ATOM 663 CB THR A 48 2.310 -0.186 6.751 1.00 0.00 C ATOM 664 OG1 THR A 48 2.711 0.849 5.884 1.00 0.00 O ATOM 665 CG2 THR A 48 3.249 -1.376 6.556 1.00 0.00 C ATOM 0 H THR A 48 0.534 1.310 7.541 1.00 0.00 H new ATOM 0 HA THR A 48 0.650 -0.459 5.461 1.00 0.00 H new ATOM 0 HB THR A 48 2.396 0.098 7.800 1.00 0.00 H new ATOM 0 HG1 THR A 48 2.596 1.713 6.331 1.00 0.00 H new ATOM 0 HG21 THR A 48 4.278 -1.060 6.729 1.00 0.00 H new ATOM 0 HG22 THR A 48 2.988 -2.165 7.262 1.00 0.00 H new ATOM 0 HG23 THR A 48 3.152 -1.753 5.538 1.00 0.00 H new ATOM 673 N GLY A 49 0.218 -2.185 8.258 1.00 0.00 N ATOM 674 CA GLY A 49 -0.023 -3.555 8.684 1.00 0.00 C ATOM 675 C GLY A 49 -1.182 -4.219 7.925 1.00 0.00 C ATOM 676 O GLY A 49 -1.086 -5.395 7.563 1.00 0.00 O ATOM 0 H GLY A 49 0.231 -1.502 9.015 1.00 0.00 H new ATOM 0 HA2 GLY A 49 0.884 -4.141 8.538 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -0.241 -3.566 9.752 1.00 0.00 H new ATOM 680 N ALA A 50 -2.232 -3.452 7.614 1.00 0.00 N ATOM 681 CA ALA A 50 -3.376 -3.864 6.809 1.00 0.00 C ATOM 682 C ALA A 50 -3.033 -4.017 5.337 1.00 0.00 C ATOM 683 O ALA A 50 -3.394 -5.025 4.724 1.00 0.00 O ATOM 684 CB ALA A 50 -4.460 -2.792 6.948 1.00 0.00 C ATOM 0 H ALA A 50 -2.307 -2.486 7.933 1.00 0.00 H new ATOM 0 HA ALA A 50 -3.709 -4.837 7.169 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -5.330 -3.075 6.355 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -4.749 -2.701 7.995 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -4.074 -1.836 6.593 1.00 0.00 H new ATOM 690 N CYS A 51 -2.387 -3.006 4.765 1.00 0.00 N ATOM 691 CA CYS A 51 -2.017 -2.947 3.369 1.00 0.00 C ATOM 692 C CYS A 51 -1.046 -4.082 3.066 1.00 0.00 C ATOM 693 O CYS A 51 -1.140 -4.726 2.025 1.00 0.00 O ATOM 694 CB CYS A 51 -1.416 -1.571 3.125 1.00 0.00 C ATOM 695 SG CYS A 51 -1.154 -1.062 1.414 1.00 0.00 S ATOM 0 H CYS A 51 -2.099 -2.178 5.287 1.00 0.00 H new ATOM 0 HA CYS A 51 -2.870 -3.078 2.703 1.00 0.00 H new ATOM 0 HB2 CYS A 51 -2.064 -0.833 3.599 1.00 0.00 H new ATOM 0 HB3 CYS A 51 -0.455 -1.529 3.638 1.00 0.00 H new ATOM 0 HG CYS A 51 -2.249 -0.543 0.943 1.00 0.00 H new ATOM 700 N ARG A 52 -0.172 -4.412 4.023 1.00 0.00 N ATOM 701 CA ARG A 52 0.739 -5.524 3.917 1.00 0.00 C ATOM 702 C ARG A 52 -0.037 -6.799 3.699 1.00 0.00 C ATOM 703 O ARG A 52 0.272 -7.471 2.732 1.00 0.00 O ATOM 704 CB ARG A 52 1.701 -5.680 5.087 1.00 0.00 C ATOM 705 CG ARG A 52 2.755 -4.579 5.144 1.00 0.00 C ATOM 706 CD ARG A 52 3.797 -4.770 6.244 1.00 0.00 C ATOM 707 NE ARG A 52 4.745 -5.849 5.936 1.00 0.00 N ATOM 708 CZ ARG A 52 5.194 -6.771 6.797 1.00 0.00 C ATOM 709 NH1 ARG A 52 4.548 -7.014 7.935 1.00 0.00 N ATOM 710 NH2 ARG A 52 6.274 -7.481 6.497 1.00 0.00 N ATOM 0 H ARG A 52 -0.088 -3.898 4.900 1.00 0.00 H new ATOM 0 HA ARG A 52 1.373 -5.307 3.058 1.00 0.00 H new ATOM 0 HB2 ARG A 52 1.134 -5.681 6.018 1.00 0.00 H new ATOM 0 HB3 ARG A 52 2.198 -6.647 5.015 1.00 0.00 H new ATOM 0 HG2 ARG A 52 3.264 -4.528 4.181 1.00 0.00 H new ATOM 0 HG3 ARG A 52 2.257 -3.621 5.293 1.00 0.00 H new ATOM 0 HD2 ARG A 52 4.345 -3.839 6.387 1.00 0.00 H new ATOM 0 HD3 ARG A 52 3.292 -4.991 7.184 1.00 0.00 H new ATOM 0 HE ARG A 52 5.093 -5.901 4.979 1.00 0.00 H new ATOM 0 HH11 ARG A 52 3.699 -6.495 8.161 1.00 0.00 H new ATOM 0 HH12 ARG A 52 4.902 -7.719 8.582 1.00 0.00 H new ATOM 0 HH21 ARG A 52 6.759 -7.323 5.613 1.00 0.00 H new ATOM 0 HH22 ARG A 52 6.620 -8.184 7.150 1.00 0.00 H new ATOM 724 N ALA A 53 -1.046 -7.131 4.515 1.00 0.00 N ATOM 725 CA ALA A 53 -1.840 -8.341 4.279 1.00 0.00 C ATOM 726 C ALA A 53 -2.393 -8.356 2.851 1.00 0.00 C ATOM 727 O ALA A 53 -2.397 -9.396 2.189 1.00 0.00 O ATOM 728 CB ALA A 53 -2.987 -8.467 5.285 1.00 0.00 C ATOM 0 H ALA A 53 -1.328 -6.588 5.331 1.00 0.00 H new ATOM 0 HA ALA A 53 -1.177 -9.196 4.412 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -3.553 -9.375 5.079 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -2.581 -8.514 6.296 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -3.644 -7.602 5.198 1.00 0.00 H new ATOM 734 N GLN A 54 -2.845 -7.200 2.360 1.00 0.00 N ATOM 735 CA GLN A 54 -3.361 -7.084 0.998 1.00 0.00 C ATOM 736 C GLN A 54 -2.287 -7.101 -0.109 1.00 0.00 C ATOM 737 O GLN A 54 -2.633 -7.189 -1.283 1.00 0.00 O ATOM 738 CB GLN A 54 -4.251 -5.843 0.899 1.00 0.00 C ATOM 739 CG GLN A 54 -5.276 -5.930 -0.241 1.00 0.00 C ATOM 740 CD GLN A 54 -6.399 -6.932 0.022 1.00 0.00 C ATOM 741 OE1 GLN A 54 -6.380 -7.699 0.985 1.00 0.00 O ATOM 742 NE2 GLN A 54 -7.389 -6.986 -0.847 1.00 0.00 N ATOM 0 H GLN A 54 -2.863 -6.328 2.890 1.00 0.00 H new ATOM 0 HA GLN A 54 -3.946 -7.985 0.811 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -4.777 -5.703 1.843 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -3.624 -4.964 0.750 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -5.711 -4.944 -0.404 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -4.761 -6.207 -1.161 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -7.403 -6.350 -1.644 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -8.141 -7.664 -0.722 1.00 0.00 H new ATOM 751 N ALA A 55 -0.997 -7.077 0.192 1.00 0.00 N ATOM 752 CA ALA A 55 0.034 -7.350 -0.808 1.00 0.00 C ATOM 753 C ALA A 55 0.602 -8.752 -0.612 1.00 0.00 C ATOM 754 O ALA A 55 0.728 -9.488 -1.580 1.00 0.00 O ATOM 755 CB ALA A 55 1.112 -6.268 -0.734 1.00 0.00 C ATOM 0 H ALA A 55 -0.635 -6.871 1.123 1.00 0.00 H new ATOM 0 HA ALA A 55 -0.398 -7.321 -1.808 1.00 0.00 H new ATOM 0 HB1 ALA A 55 1.882 -6.470 -1.479 1.00 0.00 H new ATOM 0 HB2 ALA A 55 0.664 -5.294 -0.930 1.00 0.00 H new ATOM 0 HB3 ALA A 55 1.560 -6.268 0.260 1.00 0.00 H new ATOM 761 N PHE A 56 0.883 -9.108 0.639 1.00 0.00 N ATOM 762 CA PHE A 56 1.499 -10.318 1.150 1.00 0.00 C ATOM 763 C PHE A 56 0.776 -11.564 0.657 1.00 0.00 C ATOM 764 O PHE A 56 1.400 -12.482 0.130 1.00 0.00 O ATOM 765 CB PHE A 56 1.403 -10.275 2.685 1.00 0.00 C ATOM 766 CG PHE A 56 2.014 -11.483 3.367 1.00 0.00 C ATOM 767 CD1 PHE A 56 3.336 -11.874 3.087 1.00 0.00 C ATOM 768 CD2 PHE A 56 1.236 -12.262 4.242 1.00 0.00 C ATOM 769 CE1 PHE A 56 3.905 -12.978 3.739 1.00 0.00 C ATOM 770 CE2 PHE A 56 1.803 -13.377 4.880 1.00 0.00 C ATOM 771 CZ PHE A 56 3.142 -13.727 4.642 1.00 0.00 C ATOM 0 H PHE A 56 0.655 -8.475 1.406 1.00 0.00 H new ATOM 0 HA PHE A 56 2.532 -10.365 0.805 1.00 0.00 H new ATOM 0 HB2 PHE A 56 1.900 -9.375 3.046 1.00 0.00 H new ATOM 0 HB3 PHE A 56 0.355 -10.198 2.973 1.00 0.00 H new ATOM 0 HD1 PHE A 56 3.917 -11.320 2.365 1.00 0.00 H new ATOM 0 HD2 PHE A 56 0.203 -12.003 4.423 1.00 0.00 H new ATOM 0 HE1 PHE A 56 4.932 -13.250 3.544 1.00 0.00 H new ATOM 0 HE2 PHE A 56 1.206 -13.969 5.558 1.00 0.00 H new ATOM 0 HZ PHE A 56 3.581 -14.571 5.154 1.00 0.00 H new ATOM 781 N GLY A 57 -0.530 -11.602 0.920 1.00 0.00 N ATOM 782 CA GLY A 57 -1.366 -12.772 0.740 1.00 0.00 C ATOM 783 C GLY A 57 -2.751 -12.350 0.286 1.00 0.00 C ATOM 784 O GLY A 57 -3.744 -12.595 0.976 1.00 0.00 O ATOM 0 H GLY A 57 -1.042 -10.794 1.273 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -0.919 -13.439 0.003 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -1.434 -13.329 1.674 1.00 0.00 H new ATOM 788 N ASN A 58 -2.791 -11.653 -0.847 1.00 0.00 N ATOM 789 CA ASN A 58 -3.970 -11.278 -1.604 1.00 0.00 C ATOM 790 C ASN A 58 -3.677 -11.301 -3.107 1.00 0.00 C ATOM 791 O ASN A 58 -4.376 -11.980 -3.856 1.00 0.00 O ATOM 792 CB ASN A 58 -4.351 -9.870 -1.189 1.00 0.00 C ATOM 793 CG ASN A 58 -5.285 -9.224 -2.209 1.00 0.00 C ATOM 794 OD1 ASN A 58 -6.382 -9.698 -2.491 1.00 0.00 O ATOM 795 ND2 ASN A 58 -4.814 -8.156 -2.816 1.00 0.00 N ATOM 0 H ASN A 58 -1.936 -11.314 -1.287 1.00 0.00 H new ATOM 0 HA ASN A 58 -4.779 -11.981 -1.404 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -4.836 -9.895 -0.213 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -3.451 -9.264 -1.082 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -5.364 -7.698 -3.543 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -3.899 -7.786 -2.560 1.00 0.00 H new ATOM 802 N SER A 59 -2.697 -10.506 -3.554 1.00 0.00 N ATOM 803 CA SER A 59 -2.306 -10.457 -4.958 1.00 0.00 C ATOM 804 C SER A 59 -0.813 -10.759 -5.155 1.00 0.00 C ATOM 805 O SER A 59 -0.499 -11.758 -5.805 1.00 0.00 O ATOM 806 CB SER A 59 -2.771 -9.121 -5.534 1.00 0.00 C ATOM 807 OG SER A 59 -2.394 -8.958 -6.880 1.00 0.00 O ATOM 0 H SER A 59 -2.158 -9.884 -2.952 1.00 0.00 H new ATOM 0 HA SER A 59 -2.798 -11.250 -5.521 1.00 0.00 H new ATOM 0 HB2 SER A 59 -3.856 -9.051 -5.452 1.00 0.00 H new ATOM 0 HB3 SER A 59 -2.353 -8.307 -4.941 1.00 0.00 H new ATOM 0 HG SER A 59 -2.960 -8.275 -7.298 1.00 0.00 H new ATOM 813 N CYS A 60 0.109 -9.946 -4.622 1.00 0.00 N ATOM 814 CA CYS A 60 1.536 -10.120 -4.911 1.00 0.00 C ATOM 815 C CYS A 60 2.028 -11.455 -4.352 1.00 0.00 C ATOM 816 O CYS A 60 1.555 -11.897 -3.305 1.00 0.00 O ATOM 817 CB CYS A 60 2.365 -8.985 -4.302 1.00 0.00 C ATOM 818 SG CYS A 60 3.922 -8.711 -5.165 1.00 0.00 S ATOM 0 H CYS A 60 -0.106 -9.170 -3.996 1.00 0.00 H new ATOM 0 HA CYS A 60 1.660 -10.105 -5.994 1.00 0.00 H new ATOM 0 HB2 CYS A 60 1.780 -8.066 -4.319 1.00 0.00 H new ATOM 0 HB3 CYS A 60 2.571 -9.213 -3.256 1.00 0.00 H new ATOM 0 HG CYS A 60 4.066 -7.442 -5.408 1.00 0.00 H new ATOM 823 N LEU A 61 2.996 -12.098 -5.003 1.00 0.00 N ATOM 824 CA LEU A 61 3.514 -13.371 -4.512 1.00 0.00 C ATOM 825 C LEU A 61 4.310 -13.160 -3.225 1.00 0.00 C ATOM 826 O LEU A 61 4.182 -13.940 -2.283 1.00 0.00 O ATOM 827 CB LEU A 61 4.358 -14.074 -5.595 1.00 0.00 C ATOM 828 CG LEU A 61 4.196 -15.604 -5.624 1.00 0.00 C ATOM 829 CD1 LEU A 61 4.488 -16.289 -4.283 1.00 0.00 C ATOM 830 CD2 LEU A 61 2.797 -15.988 -6.133 1.00 0.00 C ATOM 0 H LEU A 61 3.432 -11.762 -5.862 1.00 0.00 H new ATOM 0 HA LEU A 61 2.673 -14.025 -4.281 1.00 0.00 H new ATOM 0 HB2 LEU A 61 4.085 -13.672 -6.571 1.00 0.00 H new ATOM 0 HB3 LEU A 61 5.409 -13.834 -5.434 1.00 0.00 H new ATOM 0 HG LEU A 61 4.953 -15.971 -6.317 1.00 0.00 H new ATOM 0 HD11 LEU A 61 4.352 -17.365 -4.387 1.00 0.00 H new ATOM 0 HD12 LEU A 61 5.515 -16.081 -3.984 1.00 0.00 H new ATOM 0 HD13 LEU A 61 3.805 -15.908 -3.524 1.00 0.00 H new ATOM 0 HD21 LEU A 61 2.700 -17.074 -6.147 1.00 0.00 H new ATOM 0 HD22 LEU A 61 2.041 -15.565 -5.472 1.00 0.00 H new ATOM 0 HD23 LEU A 61 2.657 -15.598 -7.141 1.00 0.00 H new ATOM 842 N ASN A 62 5.104 -12.089 -3.167 1.00 0.00 N ATOM 843 CA ASN A 62 5.933 -11.741 -2.021 1.00 0.00 C ATOM 844 C ASN A 62 5.702 -10.266 -1.726 1.00 0.00 C ATOM 845 O ASN A 62 5.641 -9.462 -2.660 1.00 0.00 O ATOM 846 CB ASN A 62 7.415 -12.013 -2.318 1.00 0.00 C ATOM 847 CG ASN A 62 7.720 -13.499 -2.453 1.00 0.00 C ATOM 848 OD1 ASN A 62 7.832 -14.214 -1.463 1.00 0.00 O ATOM 849 ND2 ASN A 62 7.872 -14.000 -3.669 1.00 0.00 N ATOM 0 H ASN A 62 5.187 -11.426 -3.937 1.00 0.00 H new ATOM 0 HA ASN A 62 5.665 -12.349 -1.157 1.00 0.00 H new ATOM 0 HB2 ASN A 62 7.697 -11.502 -3.239 1.00 0.00 H new ATOM 0 HB3 ASN A 62 8.026 -11.591 -1.520 1.00 0.00 H new ATOM 0 HD21 ASN A 62 8.085 -14.990 -3.790 1.00 0.00 H new ATOM 0 HD22 ASN A 62 7.777 -13.396 -4.485 1.00 0.00 H new ATOM 856 N TRP A 63 5.553 -9.903 -0.451 1.00 0.00 N ATOM 857 CA TRP A 63 5.596 -8.508 -0.028 1.00 0.00 C ATOM 858 C TRP A 63 7.029 -7.978 -0.050 1.00 0.00 C ATOM 859 O TRP A 63 7.148 -6.753 0.136 1.00 0.00 O ATOM 860 CB TRP A 63 5.004 -8.342 1.380 1.00 0.00 C ATOM 861 CG TRP A 63 5.487 -9.175 2.527 1.00 0.00 C ATOM 862 CD1 TRP A 63 6.519 -10.036 2.547 1.00 0.00 C ATOM 863 CD2 TRP A 63 4.914 -9.259 3.862 1.00 0.00 C ATOM 864 NE1 TRP A 63 6.625 -10.624 3.794 1.00 0.00 N ATOM 865 CE2 TRP A 63 5.620 -10.219 4.639 1.00 0.00 C ATOM 866 CE3 TRP A 63 3.800 -8.655 4.458 1.00 0.00 C ATOM 867 CZ2 TRP A 63 5.219 -10.576 5.938 1.00 0.00 C ATOM 868 CZ3 TRP A 63 3.357 -9.011 5.747 1.00 0.00 C ATOM 869 CH2 TRP A 63 4.069 -9.977 6.486 1.00 0.00 C ATOM 0 H TRP A 63 5.400 -10.565 0.310 1.00 0.00 H new ATOM 0 HA TRP A 63 4.995 -7.932 -0.731 1.00 0.00 H new ATOM 0 HB2 TRP A 63 5.144 -7.299 1.663 1.00 0.00 H new ATOM 0 HB3 TRP A 63 3.930 -8.508 1.296 1.00 0.00 H new ATOM 0 HD1 TRP A 63 7.171 -10.239 1.710 1.00 0.00 H new ATOM 0 HE1 TRP A 63 7.361 -11.280 4.055 1.00 0.00 H new ATOM 0 HE3 TRP A 63 3.264 -7.893 3.912 1.00 0.00 H new ATOM 0 HZ2 TRP A 63 5.785 -11.299 6.507 1.00 0.00 H new ATOM 0 HZ3 TRP A 63 2.477 -8.546 6.166 1.00 0.00 H new ATOM 0 HH2 TRP A 63 3.732 -10.258 7.473 1.00 0.00 H new