USER MOD reduce.3.24.130724 H: found=0, std=0, add=733, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 735 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 71 SER OG : rot -67:sc= -0.718 USER MOD Set 1.2: A 88 ASN : amide:sc= -0.805! C(o=-1.5!,f=-1.7!) USER MOD Set 2.1: A 36 SER OG : rot 180:sc= -0.911 USER MOD Set 2.2: A 54 LYS NZ :NH3+ 169:sc= -1.72 (180deg=-1.87) USER MOD Single : A 4 GLN : amide:sc= -1.36! C(o=-1.4!,f=-4.2!) USER MOD Single : A 6 THR OG1 : rot -150:sc= -0.0992 USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 ASN : amide:sc= -2.87! C(o=-2.9!,f=-4.7!) USER MOD Single : A 16 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 19 ASN : amide:sc= 0.197 K(o=0.2,f=-6.5!) USER MOD Single : A 21 LYS NZ :NH3+ -117:sc= -2.22 (180deg=-5.09!) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 GLN : amide:sc= -3.95! C(o=-4!,f=-3.6!) USER MOD Single : A 34 SER OG : rot 180:sc= -0.0162 USER MOD Single : A 37 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 45 THR OG1 : rot -160:sc= -0.24 USER MOD Single : A 49 LYS NZ :NH3+ -137:sc= 0.438 (180deg=-0.353!) USER MOD Single : A 51 THR OG1 : rot 180:sc= -1.23 USER MOD Single : A 63 GLN : amide:sc= -7.96! C(o=-8!,f=-7.3!) USER MOD Single : A 66 SER OG : rot 180:sc= -0.597 USER MOD Single : A 67 TYR OH : rot 0:sc= 0.353! USER MOD Single : A 77 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 ASN : amide:sc= -0.0482 K(o=-0.048,f=-2!) USER MOD Single : A 82 GLN : amide:sc= -2.86! C(o=-2.9!,f=-4.1!) USER MOD Single : A 84 GLN : amide:sc= -0.295 K(o=-0.29,f=-1.2) USER MOD Single : A 86 ASN : amide:sc= -5.29! K(o=-5.3!,f=-1.4) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 SER OG : rot 100:sc= -3.43! USER MOD Single : A 90 SER OG : rot 180:sc= -0.566 USER MOD Single : A 93 LYS NZ :NH3+ -109:sc= 0.318 (180deg=0) USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 35 N PRO A 3 -12.031 4.611 -8.527 1.00 0.00 N ATOM 36 CA PRO A 3 -11.418 3.959 -7.327 1.00 0.00 C ATOM 37 C PRO A 3 -11.516 4.839 -6.071 1.00 0.00 C ATOM 38 O PRO A 3 -11.403 6.050 -6.130 1.00 0.00 O ATOM 39 CB PRO A 3 -9.950 3.738 -7.742 1.00 0.00 C ATOM 40 CG PRO A 3 -9.707 4.726 -8.839 1.00 0.00 C ATOM 41 CD PRO A 3 -11.033 4.855 -9.580 1.00 0.00 C ATOM 0 HA PRO A 3 -11.930 3.035 -7.056 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -9.273 3.904 -6.904 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -9.786 2.717 -8.087 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -9.389 5.688 -8.436 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -8.917 4.383 -9.507 1.00 0.00 H new ATOM 0 HD2 PRO A 3 -11.151 5.843 -10.026 1.00 0.00 H new ATOM 0 HD3 PRO A 3 -11.115 4.129 -10.389 1.00 0.00 H new ATOM 49 N GLN A 4 -11.724 4.238 -4.934 1.00 0.00 N ATOM 50 CA GLN A 4 -11.838 5.036 -3.682 1.00 0.00 C ATOM 51 C GLN A 4 -10.446 5.316 -3.123 1.00 0.00 C ATOM 52 O GLN A 4 -9.921 4.569 -2.322 1.00 0.00 O ATOM 53 CB GLN A 4 -12.657 4.246 -2.659 1.00 0.00 C ATOM 54 CG GLN A 4 -14.117 4.181 -3.115 1.00 0.00 C ATOM 55 CD GLN A 4 -14.230 3.269 -4.341 1.00 0.00 C ATOM 56 OE1 GLN A 4 -13.563 2.257 -4.422 1.00 0.00 O ATOM 57 NE2 GLN A 4 -15.054 3.587 -5.302 1.00 0.00 N ATOM 0 H GLN A 4 -11.820 3.229 -4.817 1.00 0.00 H new ATOM 0 HA GLN A 4 -12.333 5.984 -3.894 1.00 0.00 H new ATOM 0 HB2 GLN A 4 -12.253 3.239 -2.553 1.00 0.00 H new ATOM 0 HB3 GLN A 4 -12.591 4.721 -1.680 1.00 0.00 H new ATOM 0 HG2 GLN A 4 -14.744 3.803 -2.308 1.00 0.00 H new ATOM 0 HG3 GLN A 4 -14.478 5.180 -3.358 1.00 0.00 H new ATOM 0 HE21 GLN A 4 -15.614 4.437 -5.233 1.00 0.00 H new ATOM 0 HE22 GLN A 4 -15.138 2.986 -6.122 1.00 0.00 H new ATOM 66 N LEU A 5 -9.850 6.398 -3.535 1.00 0.00 N ATOM 67 CA LEU A 5 -8.491 6.744 -3.027 1.00 0.00 C ATOM 68 C LEU A 5 -8.600 7.238 -1.587 1.00 0.00 C ATOM 69 O LEU A 5 -9.530 7.926 -1.223 1.00 0.00 O ATOM 70 CB LEU A 5 -7.881 7.844 -3.911 1.00 0.00 C ATOM 71 CG LEU A 5 -7.185 7.221 -5.131 1.00 0.00 C ATOM 72 CD1 LEU A 5 -5.903 6.473 -4.703 1.00 0.00 C ATOM 73 CD2 LEU A 5 -8.147 6.249 -5.826 1.00 0.00 C ATOM 0 H LEU A 5 -10.244 7.060 -4.203 1.00 0.00 H new ATOM 0 HA LEU A 5 -7.851 5.862 -3.057 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -8.661 8.530 -4.240 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -7.165 8.429 -3.334 1.00 0.00 H new ATOM 0 HG LEU A 5 -6.906 8.017 -5.821 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -5.425 6.039 -5.581 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -5.217 7.172 -4.224 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -6.162 5.680 -4.001 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -7.654 5.806 -6.692 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -8.434 5.461 -5.130 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -9.037 6.788 -6.151 1.00 0.00 H new ATOM 85 N THR A 6 -7.646 6.876 -0.767 1.00 0.00 N ATOM 86 CA THR A 6 -7.664 7.303 0.669 1.00 0.00 C ATOM 87 C THR A 6 -6.379 8.062 1.000 1.00 0.00 C ATOM 88 O THR A 6 -5.284 7.608 0.735 1.00 0.00 O ATOM 89 CB THR A 6 -7.772 6.066 1.559 1.00 0.00 C ATOM 90 OG1 THR A 6 -8.984 5.385 1.265 1.00 0.00 O ATOM 91 CG2 THR A 6 -7.766 6.493 3.028 1.00 0.00 C ATOM 0 H THR A 6 -6.848 6.298 -1.031 1.00 0.00 H new ATOM 0 HA THR A 6 -8.519 7.957 0.843 1.00 0.00 H new ATOM 0 HB THR A 6 -6.926 5.404 1.373 1.00 0.00 H new ATOM 0 HG1 THR A 6 -9.304 4.924 2.069 1.00 0.00 H new ATOM 0 HG21 THR A 6 -7.843 5.611 3.664 1.00 0.00 H new ATOM 0 HG22 THR A 6 -6.838 7.020 3.250 1.00 0.00 H new ATOM 0 HG23 THR A 6 -8.613 7.153 3.219 1.00 0.00 H new ATOM 99 N LYS A 7 -6.517 9.220 1.584 1.00 0.00 N ATOM 100 CA LYS A 7 -5.324 10.038 1.947 1.00 0.00 C ATOM 101 C LYS A 7 -4.787 9.605 3.311 1.00 0.00 C ATOM 102 O LYS A 7 -5.480 9.004 4.106 1.00 0.00 O ATOM 103 CB LYS A 7 -5.728 11.511 2.006 1.00 0.00 C ATOM 104 CG LYS A 7 -6.044 12.012 0.594 1.00 0.00 C ATOM 105 CD LYS A 7 -6.469 13.480 0.657 1.00 0.00 C ATOM 106 CE LYS A 7 -6.758 13.986 -0.758 1.00 0.00 C ATOM 107 NZ LYS A 7 -7.186 15.413 -0.699 1.00 0.00 N ATOM 0 H LYS A 7 -7.414 9.639 1.828 1.00 0.00 H new ATOM 0 HA LYS A 7 -4.546 9.894 1.197 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -6.598 11.635 2.650 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -4.923 12.103 2.441 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -5.169 11.903 -0.046 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -6.839 11.411 0.153 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -7.356 13.587 1.282 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -5.682 14.079 1.116 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -5.868 13.888 -1.379 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -7.538 13.380 -1.220 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -7.382 15.757 -1.661 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -8.046 15.494 -0.120 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -6.428 15.985 -0.275 1.00 0.00 H new ATOM 121 N ILE A 8 -3.551 9.909 3.586 1.00 0.00 N ATOM 122 CA ILE A 8 -2.954 9.525 4.894 1.00 0.00 C ATOM 123 C ILE A 8 -3.693 10.253 6.017 1.00 0.00 C ATOM 124 O ILE A 8 -4.002 9.681 7.044 1.00 0.00 O ATOM 125 CB ILE A 8 -1.478 9.929 4.912 1.00 0.00 C ATOM 126 CG1 ILE A 8 -0.778 9.373 3.664 1.00 0.00 C ATOM 127 CG2 ILE A 8 -0.807 9.381 6.173 1.00 0.00 C ATOM 128 CD1 ILE A 8 -1.014 7.862 3.543 1.00 0.00 C ATOM 0 H ILE A 8 -2.924 10.410 2.957 1.00 0.00 H new ATOM 0 HA ILE A 8 -3.040 8.448 5.037 1.00 0.00 H new ATOM 0 HB ILE A 8 -1.401 11.016 4.913 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -1.154 9.878 2.774 1.00 0.00 H new ATOM 0 HG13 ILE A 8 0.291 9.577 3.719 1.00 0.00 H new ATOM 0 HG21 ILE A 8 0.244 9.671 6.181 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -1.303 9.787 7.055 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -0.883 8.294 6.182 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -0.511 7.485 2.653 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -0.616 7.360 4.425 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -2.083 7.666 3.465 1.00 0.00 H new ATOM 140 N VAL A 9 -3.968 11.512 5.831 1.00 0.00 N ATOM 141 CA VAL A 9 -4.679 12.288 6.882 1.00 0.00 C ATOM 142 C VAL A 9 -6.095 11.728 7.063 1.00 0.00 C ATOM 143 O VAL A 9 -6.709 11.897 8.099 1.00 0.00 O ATOM 144 CB VAL A 9 -4.740 13.760 6.468 1.00 0.00 C ATOM 145 CG1 VAL A 9 -5.608 13.911 5.219 1.00 0.00 C ATOM 146 CG2 VAL A 9 -5.333 14.590 7.609 1.00 0.00 C ATOM 0 H VAL A 9 -3.729 12.040 4.991 1.00 0.00 H new ATOM 0 HA VAL A 9 -4.144 12.205 7.828 1.00 0.00 H new ATOM 0 HB VAL A 9 -3.732 14.113 6.249 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -5.648 14.961 4.929 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -5.180 13.325 4.405 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -6.616 13.555 5.431 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -5.376 15.638 7.312 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -6.339 14.235 7.833 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -4.707 14.489 8.496 1.00 0.00 H new ATOM 156 N ASP A 10 -6.617 11.056 6.071 1.00 0.00 N ATOM 157 CA ASP A 10 -7.986 10.481 6.203 1.00 0.00 C ATOM 158 C ASP A 10 -7.931 9.250 7.110 1.00 0.00 C ATOM 159 O ASP A 10 -8.947 8.688 7.467 1.00 0.00 O ATOM 160 CB ASP A 10 -8.510 10.065 4.825 1.00 0.00 C ATOM 161 CG ASP A 10 -8.812 11.308 3.989 1.00 0.00 C ATOM 162 OD1 ASP A 10 -8.908 12.378 4.566 1.00 0.00 O ATOM 163 OD2 ASP A 10 -8.946 11.168 2.784 1.00 0.00 O ATOM 0 H ASP A 10 -6.156 10.881 5.178 1.00 0.00 H new ATOM 0 HA ASP A 10 -8.651 11.231 6.632 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -7.772 9.445 4.317 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -9.411 9.462 4.935 1.00 0.00 H new ATOM 168 N ILE A 11 -6.754 8.826 7.487 1.00 0.00 N ATOM 169 CA ILE A 11 -6.641 7.631 8.374 1.00 0.00 C ATOM 170 C ILE A 11 -6.838 8.058 9.829 1.00 0.00 C ATOM 171 O ILE A 11 -6.112 8.880 10.350 1.00 0.00 O ATOM 172 CB ILE A 11 -5.259 6.993 8.204 1.00 0.00 C ATOM 173 CG1 ILE A 11 -5.130 6.433 6.784 1.00 0.00 C ATOM 174 CG2 ILE A 11 -5.089 5.859 9.216 1.00 0.00 C ATOM 175 CD1 ILE A 11 -3.678 6.030 6.520 1.00 0.00 C ATOM 0 H ILE A 11 -5.868 9.254 7.220 1.00 0.00 H new ATOM 0 HA ILE A 11 -7.406 6.903 8.104 1.00 0.00 H new ATOM 0 HB ILE A 11 -4.489 7.746 8.372 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -5.785 5.570 6.662 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -5.448 7.181 6.057 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -4.105 5.406 9.093 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -5.182 6.256 10.227 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -5.858 5.105 9.050 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -3.589 5.632 5.509 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -3.033 6.903 6.624 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -3.376 5.268 7.238 1.00 0.00 H new ATOM 187 N VAL A 12 -7.824 7.503 10.490 1.00 0.00 N ATOM 188 CA VAL A 12 -8.089 7.864 11.920 1.00 0.00 C ATOM 189 C VAL A 12 -8.340 6.594 12.735 1.00 0.00 C ATOM 190 O VAL A 12 -8.090 6.558 13.924 1.00 0.00 O ATOM 191 CB VAL A 12 -9.324 8.766 11.999 1.00 0.00 C ATOM 192 CG1 VAL A 12 -8.998 10.136 11.405 1.00 0.00 C ATOM 193 CG2 VAL A 12 -10.470 8.130 11.211 1.00 0.00 C ATOM 0 H VAL A 12 -8.462 6.810 10.098 1.00 0.00 H new ATOM 0 HA VAL A 12 -7.224 8.390 12.323 1.00 0.00 H new ATOM 0 HB VAL A 12 -9.619 8.884 13.042 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -9.878 10.776 11.462 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -8.181 10.591 11.966 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -8.701 10.019 10.363 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -11.350 8.771 11.267 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -10.173 8.011 10.169 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -10.705 7.154 11.635 1.00 0.00 H new ATOM 203 N GLU A 13 -8.842 5.552 12.114 1.00 0.00 N ATOM 204 CA GLU A 13 -9.122 4.282 12.864 1.00 0.00 C ATOM 205 C GLU A 13 -8.624 3.073 12.069 1.00 0.00 C ATOM 206 O GLU A 13 -8.534 3.096 10.858 1.00 0.00 O ATOM 207 CB GLU A 13 -10.624 4.154 13.105 1.00 0.00 C ATOM 208 CG GLU A 13 -11.058 5.220 14.113 1.00 0.00 C ATOM 209 CD GLU A 13 -12.574 5.154 14.307 1.00 0.00 C ATOM 210 OE1 GLU A 13 -13.196 4.312 13.679 1.00 0.00 O ATOM 211 OE2 GLU A 13 -13.086 5.947 15.078 1.00 0.00 O ATOM 0 H GLU A 13 -9.070 5.525 11.120 1.00 0.00 H new ATOM 0 HA GLU A 13 -8.598 4.313 13.819 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -11.168 4.278 12.168 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -10.862 3.159 13.483 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -10.552 5.062 15.065 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -10.769 6.209 13.759 1.00 0.00 H new ATOM 218 N ASN A 14 -8.284 2.021 12.762 1.00 0.00 N ATOM 219 CA ASN A 14 -7.769 0.796 12.085 1.00 0.00 C ATOM 220 C ASN A 14 -8.921 -0.019 11.495 1.00 0.00 C ATOM 221 O ASN A 14 -10.075 0.190 11.810 1.00 0.00 O ATOM 222 CB ASN A 14 -7.022 -0.062 13.110 1.00 0.00 C ATOM 223 CG ASN A 14 -7.988 -0.507 14.210 1.00 0.00 C ATOM 224 OD1 ASN A 14 -9.189 -0.363 14.078 1.00 0.00 O ATOM 225 ND2 ASN A 14 -7.513 -1.047 15.299 1.00 0.00 N ATOM 0 H ASN A 14 -8.341 1.957 13.778 1.00 0.00 H new ATOM 0 HA ASN A 14 -7.100 1.094 11.277 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -6.586 -0.933 12.621 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -6.199 0.506 13.543 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -8.148 -1.348 16.038 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -6.506 -1.168 15.411 1.00 0.00 H new ATOM 232 N GLY A 15 -8.605 -0.955 10.642 1.00 0.00 N ATOM 233 CA GLY A 15 -9.661 -1.807 10.025 1.00 0.00 C ATOM 234 C GLY A 15 -10.485 -0.991 9.026 1.00 0.00 C ATOM 235 O GLY A 15 -11.459 -0.360 9.383 1.00 0.00 O ATOM 0 H GLY A 15 -7.653 -1.167 10.344 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -9.203 -2.657 9.520 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -10.312 -2.210 10.801 1.00 0.00 H new ATOM 239 N GLN A 16 -10.110 -1.013 7.778 1.00 0.00 N ATOM 240 CA GLN A 16 -10.880 -0.252 6.752 1.00 0.00 C ATOM 241 C GLN A 16 -10.405 -0.665 5.359 1.00 0.00 C ATOM 242 O GLN A 16 -9.223 -0.706 5.078 1.00 0.00 O ATOM 243 CB GLN A 16 -10.674 1.253 6.942 1.00 0.00 C ATOM 244 CG GLN A 16 -11.461 2.009 5.866 1.00 0.00 C ATOM 245 CD GLN A 16 -11.411 3.512 6.148 1.00 0.00 C ATOM 246 OE1 GLN A 16 -12.432 4.135 6.367 1.00 0.00 O ATOM 247 NE2 GLN A 16 -10.260 4.125 6.144 1.00 0.00 N ATOM 0 H GLN A 16 -9.303 -1.525 7.422 1.00 0.00 H new ATOM 0 HA GLN A 16 -11.941 -0.476 6.862 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -11.009 1.556 7.934 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -9.614 1.499 6.874 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -11.042 1.800 4.882 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -12.496 1.667 5.851 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -9.404 3.602 5.960 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -10.216 5.128 6.325 1.00 0.00 H new ATOM 256 N TRP A 17 -11.324 -0.980 4.485 1.00 0.00 N ATOM 257 CA TRP A 17 -10.945 -1.402 3.101 1.00 0.00 C ATOM 258 C TRP A 17 -11.008 -0.201 2.159 1.00 0.00 C ATOM 259 O TRP A 17 -11.963 0.550 2.159 1.00 0.00 O ATOM 260 CB TRP A 17 -11.934 -2.467 2.620 1.00 0.00 C ATOM 261 CG TRP A 17 -11.653 -3.759 3.312 1.00 0.00 C ATOM 262 CD1 TRP A 17 -12.320 -4.226 4.392 1.00 0.00 C ATOM 263 CD2 TRP A 17 -10.644 -4.757 2.990 1.00 0.00 C ATOM 264 NE1 TRP A 17 -11.782 -5.448 4.755 1.00 0.00 N ATOM 265 CE2 TRP A 17 -10.747 -5.819 3.919 1.00 0.00 C ATOM 266 CE3 TRP A 17 -9.659 -4.843 1.990 1.00 0.00 C ATOM 267 CZ2 TRP A 17 -9.900 -6.926 3.860 1.00 0.00 C ATOM 268 CZ3 TRP A 17 -8.805 -5.955 1.926 1.00 0.00 C ATOM 269 CH2 TRP A 17 -8.926 -6.995 2.859 1.00 0.00 C ATOM 0 H TRP A 17 -12.327 -0.964 4.670 1.00 0.00 H new ATOM 0 HA TRP A 17 -9.932 -1.803 3.107 1.00 0.00 H new ATOM 0 HB2 TRP A 17 -12.956 -2.148 2.825 1.00 0.00 H new ATOM 0 HB3 TRP A 17 -11.850 -2.595 1.541 1.00 0.00 H new ATOM 0 HD1 TRP A 17 -13.138 -3.727 4.889 1.00 0.00 H new ATOM 0 HE1 TRP A 17 -12.110 -6.006 5.543 1.00 0.00 H new ATOM 0 HE3 TRP A 17 -9.559 -4.048 1.266 1.00 0.00 H new ATOM 0 HZ2 TRP A 17 -9.996 -7.724 4.582 1.00 0.00 H new ATOM 0 HZ3 TRP A 17 -8.051 -6.010 1.155 1.00 0.00 H new ATOM 0 HH2 TRP A 17 -8.267 -7.849 2.804 1.00 0.00 H new ATOM 280 N ALA A 18 -10.003 -0.017 1.346 1.00 0.00 N ATOM 281 CA ALA A 18 -10.023 1.137 0.398 1.00 0.00 C ATOM 282 C ALA A 18 -8.807 1.069 -0.523 1.00 0.00 C ATOM 283 O ALA A 18 -7.960 0.210 -0.389 1.00 0.00 O ATOM 284 CB ALA A 18 -9.995 2.454 1.175 1.00 0.00 C ATOM 0 H ALA A 18 -9.175 -0.610 1.296 1.00 0.00 H new ATOM 0 HA ALA A 18 -10.935 1.089 -0.196 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -10.010 3.290 0.475 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -10.867 2.511 1.826 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -9.088 2.502 1.778 1.00 0.00 H new ATOM 290 N ASN A 19 -8.716 1.976 -1.460 1.00 0.00 N ATOM 291 CA ASN A 19 -7.557 1.986 -2.405 1.00 0.00 C ATOM 292 C ASN A 19 -6.597 3.100 -2.004 1.00 0.00 C ATOM 293 O ASN A 19 -7.005 4.146 -1.544 1.00 0.00 O ATOM 294 CB ASN A 19 -8.062 2.251 -3.820 1.00 0.00 C ATOM 295 CG ASN A 19 -8.864 1.045 -4.299 1.00 0.00 C ATOM 296 OD1 ASN A 19 -8.798 -0.016 -3.709 1.00 0.00 O ATOM 297 ND2 ASN A 19 -9.623 1.160 -5.351 1.00 0.00 N ATOM 0 H ASN A 19 -9.400 2.717 -1.613 1.00 0.00 H new ATOM 0 HA ASN A 19 -7.047 1.024 -2.370 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -8.684 3.146 -3.836 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -7.222 2.434 -4.491 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -10.163 0.360 -5.680 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -9.678 2.050 -5.845 1.00 0.00 H new ATOM 304 N LEU A 20 -5.319 2.885 -2.171 1.00 0.00 N ATOM 305 CA LEU A 20 -4.326 3.935 -1.794 1.00 0.00 C ATOM 306 C LEU A 20 -3.186 3.962 -2.810 1.00 0.00 C ATOM 307 O LEU A 20 -2.644 2.942 -3.180 1.00 0.00 O ATOM 308 CB LEU A 20 -3.766 3.630 -0.402 1.00 0.00 C ATOM 309 CG LEU A 20 -2.695 4.689 -0.014 1.00 0.00 C ATOM 310 CD1 LEU A 20 -2.867 5.102 1.451 1.00 0.00 C ATOM 311 CD2 LEU A 20 -1.282 4.111 -0.205 1.00 0.00 C ATOM 0 H LEU A 20 -4.919 2.028 -2.552 1.00 0.00 H new ATOM 0 HA LEU A 20 -4.818 4.908 -1.785 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -4.572 3.631 0.331 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -3.325 2.633 -0.389 1.00 0.00 H new ATOM 0 HG LEU A 20 -2.825 5.559 -0.658 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -2.112 5.844 1.711 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -3.859 5.529 1.594 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -2.752 4.227 2.091 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -0.541 4.862 0.070 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -1.160 3.232 0.428 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -1.142 3.829 -1.249 1.00 0.00 H new ATOM 323 N LYS A 21 -2.818 5.137 -3.254 1.00 0.00 N ATOM 324 CA LYS A 21 -1.705 5.277 -4.244 1.00 0.00 C ATOM 325 C LYS A 21 -0.574 6.074 -3.601 1.00 0.00 C ATOM 326 O LYS A 21 -0.806 7.007 -2.859 1.00 0.00 O ATOM 327 CB LYS A 21 -2.212 6.032 -5.471 1.00 0.00 C ATOM 328 CG LYS A 21 -1.149 5.997 -6.568 1.00 0.00 C ATOM 329 CD LYS A 21 -1.548 6.956 -7.695 1.00 0.00 C ATOM 330 CE LYS A 21 -2.806 6.444 -8.407 1.00 0.00 C ATOM 331 NZ LYS A 21 -4.014 6.852 -7.634 1.00 0.00 N ATOM 0 H LYS A 21 -3.247 6.018 -2.969 1.00 0.00 H new ATOM 0 HA LYS A 21 -1.348 4.291 -4.543 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -3.137 5.581 -5.832 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -2.442 7.064 -5.206 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -0.180 6.282 -6.159 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -1.046 4.984 -6.957 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -1.731 7.950 -7.288 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -0.730 7.050 -8.409 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -2.854 6.848 -9.418 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -2.769 5.358 -8.499 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -4.513 6.004 -7.296 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -3.726 7.432 -6.820 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -4.647 7.405 -8.246 1.00 0.00 H new ATOM 345 N ALA A 22 0.653 5.718 -3.866 1.00 0.00 N ATOM 346 CA ALA A 22 1.779 6.473 -3.246 1.00 0.00 C ATOM 347 C ALA A 22 3.087 6.165 -3.970 1.00 0.00 C ATOM 348 O ALA A 22 3.116 5.439 -4.943 1.00 0.00 O ATOM 349 CB ALA A 22 1.910 6.072 -1.782 1.00 0.00 C ATOM 0 H ALA A 22 0.923 4.947 -4.477 1.00 0.00 H new ATOM 0 HA ALA A 22 1.573 7.541 -3.324 1.00 0.00 H new ATOM 0 HB1 ALA A 22 2.733 6.623 -1.326 1.00 0.00 H new ATOM 0 HB2 ALA A 22 0.983 6.304 -1.257 1.00 0.00 H new ATOM 0 HB3 ALA A 22 2.108 5.002 -1.714 1.00 0.00 H new ATOM 355 N LYS A 23 4.177 6.720 -3.492 1.00 0.00 N ATOM 356 CA LYS A 23 5.510 6.482 -4.132 1.00 0.00 C ATOM 357 C LYS A 23 6.389 5.662 -3.189 1.00 0.00 C ATOM 358 O LYS A 23 6.423 5.890 -1.998 1.00 0.00 O ATOM 359 CB LYS A 23 6.175 7.828 -4.415 1.00 0.00 C ATOM 360 CG LYS A 23 7.507 7.602 -5.132 1.00 0.00 C ATOM 361 CD LYS A 23 8.141 8.953 -5.465 1.00 0.00 C ATOM 362 CE LYS A 23 9.462 8.728 -6.198 1.00 0.00 C ATOM 363 NZ LYS A 23 10.065 10.044 -6.551 1.00 0.00 N ATOM 0 H LYS A 23 4.199 7.334 -2.678 1.00 0.00 H new ATOM 0 HA LYS A 23 5.379 5.935 -5.066 1.00 0.00 H new ATOM 0 HB2 LYS A 23 5.520 8.446 -5.029 1.00 0.00 H new ATOM 0 HB3 LYS A 23 6.340 8.367 -3.482 1.00 0.00 H new ATOM 0 HG2 LYS A 23 8.178 7.019 -4.501 1.00 0.00 H new ATOM 0 HG3 LYS A 23 7.348 7.028 -6.045 1.00 0.00 H new ATOM 0 HD2 LYS A 23 7.464 9.541 -6.085 1.00 0.00 H new ATOM 0 HD3 LYS A 23 8.312 9.522 -4.551 1.00 0.00 H new ATOM 0 HE2 LYS A 23 10.147 8.159 -5.569 1.00 0.00 H new ATOM 0 HE3 LYS A 23 9.294 8.139 -7.100 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 10.964 9.891 -7.050 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 9.413 10.571 -7.166 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 10.239 10.590 -5.683 1.00 0.00 H new ATOM 377 N VAL A 24 7.097 4.699 -3.716 1.00 0.00 N ATOM 378 CA VAL A 24 7.971 3.851 -2.853 1.00 0.00 C ATOM 379 C VAL A 24 9.317 4.543 -2.622 1.00 0.00 C ATOM 380 O VAL A 24 10.220 4.457 -3.430 1.00 0.00 O ATOM 381 CB VAL A 24 8.187 2.501 -3.541 1.00 0.00 C ATOM 382 CG1 VAL A 24 9.204 1.673 -2.753 1.00 0.00 C ATOM 383 CG2 VAL A 24 6.853 1.747 -3.602 1.00 0.00 C ATOM 0 H VAL A 24 7.108 4.462 -4.708 1.00 0.00 H new ATOM 0 HA VAL A 24 7.492 3.699 -1.886 1.00 0.00 H new ATOM 0 HB VAL A 24 8.565 2.666 -4.550 1.00 0.00 H new ATOM 0 HG11 VAL A 24 9.353 0.713 -3.248 1.00 0.00 H new ATOM 0 HG12 VAL A 24 10.152 2.209 -2.707 1.00 0.00 H new ATOM 0 HG13 VAL A 24 8.832 1.506 -1.742 1.00 0.00 H new ATOM 0 HG21 VAL A 24 7.001 0.784 -4.091 1.00 0.00 H new ATOM 0 HG22 VAL A 24 6.479 1.586 -2.591 1.00 0.00 H new ATOM 0 HG23 VAL A 24 6.129 2.334 -4.167 1.00 0.00 H new ATOM 393 N ILE A 25 9.455 5.226 -1.516 1.00 0.00 N ATOM 394 CA ILE A 25 10.739 5.923 -1.218 1.00 0.00 C ATOM 395 C ILE A 25 11.847 4.887 -1.023 1.00 0.00 C ATOM 396 O ILE A 25 12.938 5.021 -1.543 1.00 0.00 O ATOM 397 CB ILE A 25 10.578 6.735 0.071 1.00 0.00 C ATOM 398 CG1 ILE A 25 9.589 7.879 -0.168 1.00 0.00 C ATOM 399 CG2 ILE A 25 11.935 7.311 0.493 1.00 0.00 C ATOM 400 CD1 ILE A 25 9.223 8.538 1.168 1.00 0.00 C ATOM 0 H ILE A 25 8.731 5.331 -0.805 1.00 0.00 H new ATOM 0 HA ILE A 25 10.999 6.584 -2.045 1.00 0.00 H new ATOM 0 HB ILE A 25 10.201 6.086 0.862 1.00 0.00 H new ATOM 0 HG12 ILE A 25 10.028 8.617 -0.840 1.00 0.00 H new ATOM 0 HG13 ILE A 25 8.691 7.499 -0.655 1.00 0.00 H new ATOM 0 HG21 ILE A 25 11.816 7.888 1.410 1.00 0.00 H new ATOM 0 HG22 ILE A 25 12.638 6.496 0.665 1.00 0.00 H new ATOM 0 HG23 ILE A 25 12.317 7.959 -0.296 1.00 0.00 H new ATOM 0 HD11 ILE A 25 8.519 9.351 0.992 1.00 0.00 H new ATOM 0 HD12 ILE A 25 8.766 7.798 1.825 1.00 0.00 H new ATOM 0 HD13 ILE A 25 10.124 8.933 1.638 1.00 0.00 H new ATOM 412 N GLN A 26 11.572 3.852 -0.276 1.00 0.00 N ATOM 413 CA GLN A 26 12.605 2.807 -0.042 1.00 0.00 C ATOM 414 C GLN A 26 11.973 1.604 0.659 1.00 0.00 C ATOM 415 O GLN A 26 11.040 1.732 1.440 1.00 0.00 O ATOM 416 CB GLN A 26 13.728 3.379 0.820 1.00 0.00 C ATOM 417 CG GLN A 26 13.166 3.823 2.165 1.00 0.00 C ATOM 418 CD GLN A 26 14.245 4.580 2.937 1.00 0.00 C ATOM 419 OE1 GLN A 26 15.032 5.301 2.355 1.00 0.00 O ATOM 420 NE2 GLN A 26 14.317 4.446 4.229 1.00 0.00 N ATOM 0 H GLN A 26 10.676 3.686 0.182 1.00 0.00 H new ATOM 0 HA GLN A 26 13.016 2.486 -0.999 1.00 0.00 H new ATOM 0 HB2 GLN A 26 14.504 2.628 0.969 1.00 0.00 H new ATOM 0 HB3 GLN A 26 14.195 4.224 0.313 1.00 0.00 H new ATOM 0 HG2 GLN A 26 12.295 4.460 2.016 1.00 0.00 H new ATOM 0 HG3 GLN A 26 12.833 2.957 2.737 1.00 0.00 H new ATOM 0 HE21 GLN A 26 13.656 3.841 4.717 1.00 0.00 H new ATOM 0 HE22 GLN A 26 15.034 4.946 4.754 1.00 0.00 H new ATOM 429 N LEU A 27 12.483 0.429 0.387 1.00 0.00 N ATOM 430 CA LEU A 27 11.937 -0.802 1.031 1.00 0.00 C ATOM 431 C LEU A 27 13.085 -1.774 1.318 1.00 0.00 C ATOM 432 O LEU A 27 13.964 -1.967 0.502 1.00 0.00 O ATOM 433 CB LEU A 27 10.881 -1.466 0.116 1.00 0.00 C ATOM 434 CG LEU A 27 11.120 -1.090 -1.353 1.00 0.00 C ATOM 435 CD1 LEU A 27 12.499 -1.591 -1.809 1.00 0.00 C ATOM 436 CD2 LEU A 27 10.033 -1.744 -2.214 1.00 0.00 C ATOM 0 H LEU A 27 13.258 0.270 -0.257 1.00 0.00 H new ATOM 0 HA LEU A 27 11.451 -0.533 1.969 1.00 0.00 H new ATOM 0 HB2 LEU A 27 10.923 -2.549 0.230 1.00 0.00 H new ATOM 0 HB3 LEU A 27 9.882 -1.152 0.419 1.00 0.00 H new ATOM 0 HG LEU A 27 11.084 -0.006 -1.460 1.00 0.00 H new ATOM 0 HD11 LEU A 27 12.658 -1.319 -2.852 1.00 0.00 H new ATOM 0 HD12 LEU A 27 13.274 -1.135 -1.193 1.00 0.00 H new ATOM 0 HD13 LEU A 27 12.545 -2.675 -1.706 1.00 0.00 H new ATOM 0 HD21 LEU A 27 10.192 -1.484 -3.260 1.00 0.00 H new ATOM 0 HD22 LEU A 27 10.079 -2.827 -2.098 1.00 0.00 H new ATOM 0 HD23 LEU A 27 9.053 -1.387 -1.896 1.00 0.00 H new ATOM 448 N TRP A 28 13.080 -2.383 2.480 1.00 0.00 N ATOM 449 CA TRP A 28 14.168 -3.345 2.846 1.00 0.00 C ATOM 450 C TRP A 28 13.574 -4.736 3.060 1.00 0.00 C ATOM 451 O TRP A 28 12.459 -4.891 3.517 1.00 0.00 O ATOM 452 CB TRP A 28 14.849 -2.872 4.128 1.00 0.00 C ATOM 453 CG TRP A 28 15.329 -1.472 3.935 1.00 0.00 C ATOM 454 CD1 TRP A 28 16.106 -1.050 2.909 1.00 0.00 C ATOM 455 CD2 TRP A 28 15.073 -0.301 4.761 1.00 0.00 C ATOM 456 NE1 TRP A 28 16.344 0.303 3.057 1.00 0.00 N ATOM 457 CE2 TRP A 28 15.730 0.811 4.183 1.00 0.00 C ATOM 458 CE3 TRP A 28 14.342 -0.097 5.945 1.00 0.00 C ATOM 459 CZ2 TRP A 28 15.664 2.079 4.760 1.00 0.00 C ATOM 460 CZ3 TRP A 28 14.274 1.179 6.529 1.00 0.00 C ATOM 461 CH2 TRP A 28 14.933 2.264 5.936 1.00 0.00 C ATOM 0 H TRP A 28 12.364 -2.254 3.195 1.00 0.00 H new ATOM 0 HA TRP A 28 14.901 -3.390 2.041 1.00 0.00 H new ATOM 0 HB2 TRP A 28 14.151 -2.919 4.964 1.00 0.00 H new ATOM 0 HB3 TRP A 28 15.685 -3.526 4.374 1.00 0.00 H new ATOM 0 HD1 TRP A 28 16.479 -1.670 2.107 1.00 0.00 H new ATOM 0 HE1 TRP A 28 16.906 0.859 2.412 1.00 0.00 H new ATOM 0 HE3 TRP A 28 13.829 -0.927 6.409 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 16.175 2.912 4.301 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 13.711 1.324 7.439 1.00 0.00 H new ATOM 0 HH2 TRP A 28 14.876 3.243 6.388 1.00 0.00 H new ATOM 472 N GLU A 29 14.318 -5.747 2.715 1.00 0.00 N ATOM 473 CA GLU A 29 13.824 -7.145 2.868 1.00 0.00 C ATOM 474 C GLU A 29 13.583 -7.472 4.345 1.00 0.00 C ATOM 475 O GLU A 29 14.293 -7.021 5.221 1.00 0.00 O ATOM 476 CB GLU A 29 14.858 -8.116 2.281 1.00 0.00 C ATOM 477 CG GLU A 29 16.246 -7.844 2.881 1.00 0.00 C ATOM 478 CD GLU A 29 16.890 -6.637 2.192 1.00 0.00 C ATOM 479 OE1 GLU A 29 16.755 -6.526 0.985 1.00 0.00 O ATOM 480 OE2 GLU A 29 17.504 -5.842 2.886 1.00 0.00 O ATOM 0 H GLU A 29 15.259 -5.665 2.329 1.00 0.00 H new ATOM 0 HA GLU A 29 12.879 -7.247 2.334 1.00 0.00 H new ATOM 0 HB2 GLU A 29 14.560 -9.144 2.488 1.00 0.00 H new ATOM 0 HB3 GLU A 29 14.895 -8.007 1.197 1.00 0.00 H new ATOM 0 HG2 GLU A 29 16.158 -7.657 3.951 1.00 0.00 H new ATOM 0 HG3 GLU A 29 16.881 -8.722 2.762 1.00 0.00 H new ATOM 547 N SER A 34 6.692 -15.259 6.562 1.00 0.00 N ATOM 548 CA SER A 34 5.307 -14.809 6.242 1.00 0.00 C ATOM 549 C SER A 34 5.344 -13.478 5.488 1.00 0.00 C ATOM 550 O SER A 34 4.597 -13.267 4.554 1.00 0.00 O ATOM 551 CB SER A 34 4.515 -14.632 7.536 1.00 0.00 C ATOM 552 OG SER A 34 3.339 -13.881 7.264 1.00 0.00 O ATOM 0 HA SER A 34 4.829 -15.562 5.616 1.00 0.00 H new ATOM 0 HB2 SER A 34 4.252 -15.605 7.952 1.00 0.00 H new ATOM 0 HB3 SER A 34 5.123 -14.121 8.282 1.00 0.00 H new ATOM 0 HG SER A 34 2.826 -13.765 8.091 1.00 0.00 H new ATOM 558 N ILE A 35 6.190 -12.572 5.898 1.00 0.00 N ATOM 559 CA ILE A 35 6.263 -11.237 5.222 1.00 0.00 C ATOM 560 C ILE A 35 7.422 -11.214 4.223 1.00 0.00 C ATOM 561 O ILE A 35 8.521 -11.638 4.513 1.00 0.00 O ATOM 562 CB ILE A 35 6.473 -10.153 6.277 1.00 0.00 C ATOM 563 CG1 ILE A 35 5.279 -10.149 7.237 1.00 0.00 C ATOM 564 CG2 ILE A 35 6.578 -8.791 5.590 1.00 0.00 C ATOM 565 CD1 ILE A 35 5.600 -9.280 8.453 1.00 0.00 C ATOM 0 H ILE A 35 6.838 -12.696 6.676 1.00 0.00 H new ATOM 0 HA ILE A 35 5.333 -11.054 4.684 1.00 0.00 H new ATOM 0 HB ILE A 35 7.390 -10.351 6.832 1.00 0.00 H new ATOM 0 HG12 ILE A 35 4.393 -9.768 6.729 1.00 0.00 H new ATOM 0 HG13 ILE A 35 5.052 -11.167 7.555 1.00 0.00 H new ATOM 0 HG21 ILE A 35 6.728 -8.015 6.341 1.00 0.00 H new ATOM 0 HG22 ILE A 35 7.422 -8.796 4.900 1.00 0.00 H new ATOM 0 HG23 ILE A 35 5.659 -8.590 5.039 1.00 0.00 H new ATOM 0 HD11 ILE A 35 4.749 -9.279 9.134 1.00 0.00 H new ATOM 0 HD12 ILE A 35 6.475 -9.680 8.966 1.00 0.00 H new ATOM 0 HD13 ILE A 35 5.805 -8.260 8.127 1.00 0.00 H new ATOM 577 N SER A 36 7.169 -10.724 3.041 1.00 0.00 N ATOM 578 CA SER A 36 8.232 -10.666 1.997 1.00 0.00 C ATOM 579 C SER A 36 9.123 -9.440 2.220 1.00 0.00 C ATOM 580 O SER A 36 10.276 -9.556 2.597 1.00 0.00 O ATOM 581 CB SER A 36 7.576 -10.570 0.620 1.00 0.00 C ATOM 582 OG SER A 36 7.038 -11.838 0.270 1.00 0.00 O ATOM 0 H SER A 36 6.262 -10.358 2.751 1.00 0.00 H new ATOM 0 HA SER A 36 8.844 -11.566 2.057 1.00 0.00 H new ATOM 0 HB2 SER A 36 6.788 -9.817 0.631 1.00 0.00 H new ATOM 0 HB3 SER A 36 8.308 -10.254 -0.124 1.00 0.00 H new ATOM 0 HG SER A 36 6.614 -11.781 -0.612 1.00 0.00 H new ATOM 588 N GLN A 37 8.601 -8.264 1.972 1.00 0.00 N ATOM 589 CA GLN A 37 9.416 -7.019 2.145 1.00 0.00 C ATOM 590 C GLN A 37 8.614 -5.987 2.931 1.00 0.00 C ATOM 591 O GLN A 37 7.400 -6.007 2.953 1.00 0.00 O ATOM 592 CB GLN A 37 9.755 -6.447 0.766 1.00 0.00 C ATOM 593 CG GLN A 37 10.603 -7.459 -0.006 1.00 0.00 C ATOM 594 CD GLN A 37 11.048 -6.854 -1.338 1.00 0.00 C ATOM 595 OE1 GLN A 37 12.225 -6.636 -1.555 1.00 0.00 O ATOM 596 NE2 GLN A 37 10.154 -6.571 -2.244 1.00 0.00 N ATOM 0 H GLN A 37 7.643 -8.111 1.656 1.00 0.00 H new ATOM 0 HA GLN A 37 10.332 -7.256 2.686 1.00 0.00 H new ATOM 0 HB2 GLN A 37 8.840 -6.227 0.216 1.00 0.00 H new ATOM 0 HB3 GLN A 37 10.297 -5.507 0.872 1.00 0.00 H new ATOM 0 HG2 GLN A 37 11.474 -7.742 0.584 1.00 0.00 H new ATOM 0 HG3 GLN A 37 10.029 -8.368 -0.183 1.00 0.00 H new ATOM 0 HE21 GLN A 37 9.167 -6.754 -2.062 1.00 0.00 H new ATOM 0 HE22 GLN A 37 10.441 -6.167 -3.135 1.00 0.00 H new ATOM 605 N VAL A 38 9.293 -5.082 3.584 1.00 0.00 N ATOM 606 CA VAL A 38 8.597 -4.032 4.386 1.00 0.00 C ATOM 607 C VAL A 38 9.281 -2.687 4.138 1.00 0.00 C ATOM 608 O VAL A 38 10.487 -2.608 4.017 1.00 0.00 O ATOM 609 CB VAL A 38 8.676 -4.396 5.870 1.00 0.00 C ATOM 610 CG1 VAL A 38 10.139 -4.470 6.316 1.00 0.00 C ATOM 611 CG2 VAL A 38 7.944 -3.334 6.690 1.00 0.00 C ATOM 0 H VAL A 38 10.311 -5.024 3.596 1.00 0.00 H new ATOM 0 HA VAL A 38 7.549 -3.965 4.092 1.00 0.00 H new ATOM 0 HB VAL A 38 8.209 -5.368 6.026 1.00 0.00 H new ATOM 0 HG11 VAL A 38 10.184 -4.730 7.374 1.00 0.00 H new ATOM 0 HG12 VAL A 38 10.659 -5.230 5.733 1.00 0.00 H new ATOM 0 HG13 VAL A 38 10.617 -3.503 6.159 1.00 0.00 H new ATOM 0 HG21 VAL A 38 7.998 -3.590 7.748 1.00 0.00 H new ATOM 0 HG22 VAL A 38 8.411 -2.363 6.527 1.00 0.00 H new ATOM 0 HG23 VAL A 38 6.900 -3.291 6.380 1.00 0.00 H new ATOM 621 N GLY A 39 8.524 -1.631 4.043 1.00 0.00 N ATOM 622 CA GLY A 39 9.149 -0.303 3.781 1.00 0.00 C ATOM 623 C GLY A 39 8.150 0.810 4.055 1.00 0.00 C ATOM 624 O GLY A 39 7.187 0.630 4.773 1.00 0.00 O ATOM 0 H GLY A 39 7.508 -1.627 4.134 1.00 0.00 H new ATOM 0 HA2 GLY A 39 10.028 -0.176 4.412 1.00 0.00 H new ATOM 0 HA3 GLY A 39 9.489 -0.250 2.747 1.00 0.00 H new ATOM 628 N LEU A 40 8.372 1.969 3.481 1.00 0.00 N ATOM 629 CA LEU A 40 7.428 3.111 3.702 1.00 0.00 C ATOM 630 C LEU A 40 7.141 3.808 2.374 1.00 0.00 C ATOM 631 O LEU A 40 7.939 3.789 1.461 1.00 0.00 O ATOM 632 CB LEU A 40 8.020 4.101 4.721 1.00 0.00 C ATOM 633 CG LEU A 40 9.538 4.253 4.521 1.00 0.00 C ATOM 634 CD1 LEU A 40 9.843 4.937 3.170 1.00 0.00 C ATOM 635 CD2 LEU A 40 10.103 5.091 5.672 1.00 0.00 C ATOM 0 H LEU A 40 9.164 2.173 2.871 1.00 0.00 H new ATOM 0 HA LEU A 40 6.490 2.728 4.105 1.00 0.00 H new ATOM 0 HB2 LEU A 40 7.536 5.072 4.614 1.00 0.00 H new ATOM 0 HB3 LEU A 40 7.816 3.753 5.733 1.00 0.00 H new ATOM 0 HG LEU A 40 10.003 3.267 4.513 1.00 0.00 H new ATOM 0 HD11 LEU A 40 10.922 5.035 3.047 1.00 0.00 H new ATOM 0 HD12 LEU A 40 9.439 4.334 2.357 1.00 0.00 H new ATOM 0 HD13 LEU A 40 9.384 5.925 3.151 1.00 0.00 H new ATOM 0 HD21 LEU A 40 11.179 5.207 5.543 1.00 0.00 H new ATOM 0 HD22 LEU A 40 9.630 6.073 5.674 1.00 0.00 H new ATOM 0 HD23 LEU A 40 9.903 4.590 6.619 1.00 0.00 H new ATOM 647 N LEU A 41 5.982 4.409 2.257 1.00 0.00 N ATOM 648 CA LEU A 41 5.600 5.101 0.985 1.00 0.00 C ATOM 649 C LEU A 41 5.470 6.599 1.247 1.00 0.00 C ATOM 650 O LEU A 41 4.965 7.022 2.269 1.00 0.00 O ATOM 651 CB LEU A 41 4.255 4.562 0.503 1.00 0.00 C ATOM 652 CG LEU A 41 4.292 3.034 0.452 1.00 0.00 C ATOM 653 CD1 LEU A 41 2.917 2.511 0.031 1.00 0.00 C ATOM 654 CD2 LEU A 41 5.343 2.568 -0.561 1.00 0.00 C ATOM 0 H LEU A 41 5.278 4.450 2.994 1.00 0.00 H new ATOM 0 HA LEU A 41 6.363 4.922 0.228 1.00 0.00 H new ATOM 0 HB2 LEU A 41 3.461 4.893 1.172 1.00 0.00 H new ATOM 0 HB3 LEU A 41 4.027 4.962 -0.485 1.00 0.00 H new ATOM 0 HG LEU A 41 4.551 2.648 1.438 1.00 0.00 H new ATOM 0 HD11 LEU A 41 2.938 1.422 -0.007 1.00 0.00 H new ATOM 0 HD12 LEU A 41 2.168 2.835 0.754 1.00 0.00 H new ATOM 0 HD13 LEU A 41 2.664 2.904 -0.954 1.00 0.00 H new ATOM 0 HD21 LEU A 41 5.362 1.479 -0.590 1.00 0.00 H new ATOM 0 HD22 LEU A 41 5.092 2.953 -1.549 1.00 0.00 H new ATOM 0 HD23 LEU A 41 6.324 2.940 -0.265 1.00 0.00 H new ATOM 666 N GLY A 42 5.932 7.405 0.330 1.00 0.00 N ATOM 667 CA GLY A 42 5.851 8.885 0.513 1.00 0.00 C ATOM 668 C GLY A 42 4.592 9.435 -0.155 1.00 0.00 C ATOM 669 O GLY A 42 4.337 9.200 -1.320 1.00 0.00 O ATOM 0 H GLY A 42 6.364 7.102 -0.543 1.00 0.00 H new ATOM 0 HA2 GLY A 42 5.842 9.127 1.576 1.00 0.00 H new ATOM 0 HA3 GLY A 42 6.734 9.360 0.086 1.00 0.00 H new ATOM 673 N ASP A 43 3.813 10.183 0.584 1.00 0.00 N ATOM 674 CA ASP A 43 2.562 10.795 0.028 1.00 0.00 C ATOM 675 C ASP A 43 2.565 12.293 0.336 1.00 0.00 C ATOM 676 O ASP A 43 2.990 12.723 1.390 1.00 0.00 O ATOM 677 CB ASP A 43 1.330 10.139 0.668 1.00 0.00 C ATOM 678 CG ASP A 43 1.049 8.788 0.004 1.00 0.00 C ATOM 679 OD1 ASP A 43 1.509 8.588 -1.107 1.00 0.00 O ATOM 680 OD2 ASP A 43 0.377 7.978 0.619 1.00 0.00 O ATOM 0 H ASP A 43 3.991 10.400 1.564 1.00 0.00 H new ATOM 0 HA ASP A 43 2.525 10.638 -1.050 1.00 0.00 H new ATOM 0 HB2 ASP A 43 1.496 10.000 1.736 1.00 0.00 H new ATOM 0 HB3 ASP A 43 0.464 10.792 0.562 1.00 0.00 H new ATOM 685 N GLU A 44 2.091 13.087 -0.578 1.00 0.00 N ATOM 686 CA GLU A 44 2.058 14.558 -0.355 1.00 0.00 C ATOM 687 C GLU A 44 1.271 14.864 0.920 1.00 0.00 C ATOM 688 O GLU A 44 1.331 15.957 1.448 1.00 0.00 O ATOM 689 CB GLU A 44 1.382 15.229 -1.551 1.00 0.00 C ATOM 690 CG GLU A 44 2.282 15.091 -2.779 1.00 0.00 C ATOM 691 CD GLU A 44 1.567 15.662 -4.004 1.00 0.00 C ATOM 692 OE1 GLU A 44 0.457 16.141 -3.847 1.00 0.00 O ATOM 693 OE2 GLU A 44 2.143 15.608 -5.079 1.00 0.00 O ATOM 0 H GLU A 44 1.722 12.779 -1.478 1.00 0.00 H new ATOM 0 HA GLU A 44 3.074 14.938 -0.248 1.00 0.00 H new ATOM 0 HB2 GLU A 44 0.413 14.768 -1.742 1.00 0.00 H new ATOM 0 HB3 GLU A 44 1.198 16.282 -1.337 1.00 0.00 H new ATOM 0 HG2 GLU A 44 3.222 15.618 -2.615 1.00 0.00 H new ATOM 0 HG3 GLU A 44 2.530 14.043 -2.945 1.00 0.00 H new ATOM 700 N THR A 45 0.529 13.909 1.417 1.00 0.00 N ATOM 701 CA THR A 45 -0.271 14.140 2.658 1.00 0.00 C ATOM 702 C THR A 45 0.469 13.560 3.867 1.00 0.00 C ATOM 703 O THR A 45 0.084 13.777 4.999 1.00 0.00 O ATOM 704 CB THR A 45 -1.633 13.454 2.509 1.00 0.00 C ATOM 705 OG1 THR A 45 -1.446 12.137 2.010 1.00 0.00 O ATOM 706 CG2 THR A 45 -2.502 14.253 1.534 1.00 0.00 C ATOM 0 H THR A 45 0.442 12.975 1.016 1.00 0.00 H new ATOM 0 HA THR A 45 -0.412 15.210 2.809 1.00 0.00 H new ATOM 0 HB THR A 45 -2.127 13.408 3.480 1.00 0.00 H new ATOM 0 HG1 THR A 45 -2.284 11.813 1.619 1.00 0.00 H new ATOM 0 HG21 THR A 45 -3.471 13.766 1.427 1.00 0.00 H new ATOM 0 HG22 THR A 45 -2.644 15.263 1.917 1.00 0.00 H new ATOM 0 HG23 THR A 45 -2.010 14.299 0.562 1.00 0.00 H new ATOM 714 N GLY A 46 1.537 12.834 3.647 1.00 0.00 N ATOM 715 CA GLY A 46 2.298 12.262 4.804 1.00 0.00 C ATOM 716 C GLY A 46 3.047 10.998 4.373 1.00 0.00 C ATOM 717 O GLY A 46 3.174 10.706 3.205 1.00 0.00 O ATOM 0 H GLY A 46 1.914 12.613 2.725 1.00 0.00 H new ATOM 0 HA2 GLY A 46 3.004 13.000 5.184 1.00 0.00 H new ATOM 0 HA3 GLY A 46 1.613 12.027 5.619 1.00 0.00 H new ATOM 721 N ILE A 47 3.542 10.247 5.326 1.00 0.00 N ATOM 722 CA ILE A 47 4.292 8.985 5.015 1.00 0.00 C ATOM 723 C ILE A 47 3.646 7.831 5.781 1.00 0.00 C ATOM 724 O ILE A 47 3.336 7.958 6.948 1.00 0.00 O ATOM 725 CB ILE A 47 5.747 9.131 5.469 1.00 0.00 C ATOM 726 CG1 ILE A 47 6.426 10.226 4.646 1.00 0.00 C ATOM 727 CG2 ILE A 47 6.480 7.804 5.264 1.00 0.00 C ATOM 728 CD1 ILE A 47 7.786 10.561 5.259 1.00 0.00 C ATOM 0 H ILE A 47 3.458 10.456 6.321 1.00 0.00 H new ATOM 0 HA ILE A 47 4.262 8.792 3.943 1.00 0.00 H new ATOM 0 HB ILE A 47 5.776 9.400 6.525 1.00 0.00 H new ATOM 0 HG12 ILE A 47 6.552 9.895 3.615 1.00 0.00 H new ATOM 0 HG13 ILE A 47 5.798 11.117 4.620 1.00 0.00 H new ATOM 0 HG21 ILE A 47 7.516 7.907 5.587 1.00 0.00 H new ATOM 0 HG22 ILE A 47 5.993 7.025 5.850 1.00 0.00 H new ATOM 0 HG23 ILE A 47 6.454 7.533 4.208 1.00 0.00 H new ATOM 0 HD11 ILE A 47 8.268 11.342 4.671 1.00 0.00 H new ATOM 0 HD12 ILE A 47 7.648 10.911 6.282 1.00 0.00 H new ATOM 0 HD13 ILE A 47 8.413 9.670 5.262 1.00 0.00 H new ATOM 740 N ILE A 48 3.428 6.706 5.138 1.00 0.00 N ATOM 741 CA ILE A 48 2.786 5.544 5.844 1.00 0.00 C ATOM 742 C ILE A 48 3.580 4.263 5.595 1.00 0.00 C ATOM 743 O ILE A 48 4.137 4.052 4.537 1.00 0.00 O ATOM 744 CB ILE A 48 1.357 5.360 5.339 1.00 0.00 C ATOM 745 CG1 ILE A 48 0.672 4.267 6.165 1.00 0.00 C ATOM 746 CG2 ILE A 48 1.372 4.949 3.866 1.00 0.00 C ATOM 747 CD1 ILE A 48 -0.831 4.275 5.886 1.00 0.00 C ATOM 0 H ILE A 48 3.665 6.541 4.160 1.00 0.00 H new ATOM 0 HA ILE A 48 2.774 5.751 6.914 1.00 0.00 H new ATOM 0 HB ILE A 48 0.814 6.299 5.441 1.00 0.00 H new ATOM 0 HG12 ILE A 48 1.092 3.293 5.916 1.00 0.00 H new ATOM 0 HG13 ILE A 48 0.855 4.432 7.227 1.00 0.00 H new ATOM 0 HG21 ILE A 48 0.349 4.820 3.514 1.00 0.00 H new ATOM 0 HG22 ILE A 48 1.863 5.724 3.277 1.00 0.00 H new ATOM 0 HG23 ILE A 48 1.915 4.010 3.756 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -1.315 3.496 6.475 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -1.246 5.246 6.157 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -1.005 4.089 4.826 1.00 0.00 H new ATOM 759 N LYS A 49 3.638 3.411 6.584 1.00 0.00 N ATOM 760 CA LYS A 49 4.394 2.135 6.446 1.00 0.00 C ATOM 761 C LYS A 49 3.525 1.070 5.779 1.00 0.00 C ATOM 762 O LYS A 49 2.313 1.140 5.802 1.00 0.00 O ATOM 763 CB LYS A 49 4.824 1.647 7.828 1.00 0.00 C ATOM 764 CG LYS A 49 5.833 2.635 8.420 1.00 0.00 C ATOM 765 CD LYS A 49 6.523 2.008 9.632 1.00 0.00 C ATOM 766 CE LYS A 49 5.518 1.829 10.773 1.00 0.00 C ATOM 767 NZ LYS A 49 6.254 1.524 12.032 1.00 0.00 N ATOM 0 H LYS A 49 3.189 3.547 7.490 1.00 0.00 H new ATOM 0 HA LYS A 49 5.273 2.312 5.826 1.00 0.00 H new ATOM 0 HB2 LYS A 49 3.956 1.559 8.482 1.00 0.00 H new ATOM 0 HB3 LYS A 49 5.269 0.655 7.754 1.00 0.00 H new ATOM 0 HG2 LYS A 49 6.574 2.906 7.668 1.00 0.00 H new ATOM 0 HG3 LYS A 49 5.326 3.554 8.714 1.00 0.00 H new ATOM 0 HD2 LYS A 49 6.951 1.043 9.359 1.00 0.00 H new ATOM 0 HD3 LYS A 49 7.348 2.641 9.959 1.00 0.00 H new ATOM 0 HE2 LYS A 49 4.924 2.735 10.895 1.00 0.00 H new ATOM 0 HE3 LYS A 49 4.824 1.022 10.539 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 5.765 0.762 12.544 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 7.223 1.222 11.803 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 6.288 2.375 12.629 1.00 0.00 H new ATOM 781 N PHE A 50 4.138 0.081 5.180 1.00 0.00 N ATOM 782 CA PHE A 50 3.347 -0.997 4.516 1.00 0.00 C ATOM 783 C PHE A 50 4.148 -2.297 4.517 1.00 0.00 C ATOM 784 O PHE A 50 5.347 -2.305 4.732 1.00 0.00 O ATOM 785 CB PHE A 50 3.023 -0.606 3.071 1.00 0.00 C ATOM 786 CG PHE A 50 4.273 -0.648 2.215 1.00 0.00 C ATOM 787 CD1 PHE A 50 5.251 0.340 2.351 1.00 0.00 C ATOM 788 CD2 PHE A 50 4.447 -1.678 1.281 1.00 0.00 C ATOM 789 CE1 PHE A 50 6.401 0.301 1.553 1.00 0.00 C ATOM 790 CE2 PHE A 50 5.596 -1.717 0.485 1.00 0.00 C ATOM 791 CZ PHE A 50 6.572 -0.728 0.620 1.00 0.00 C ATOM 0 H PHE A 50 5.151 -0.026 5.122 1.00 0.00 H new ATOM 0 HA PHE A 50 2.416 -1.136 5.066 1.00 0.00 H new ATOM 0 HB2 PHE A 50 2.274 -1.285 2.664 1.00 0.00 H new ATOM 0 HB3 PHE A 50 2.593 0.395 3.047 1.00 0.00 H new ATOM 0 HD1 PHE A 50 5.120 1.134 3.071 1.00 0.00 H new ATOM 0 HD2 PHE A 50 3.692 -2.443 1.176 1.00 0.00 H new ATOM 0 HE1 PHE A 50 7.157 1.066 1.658 1.00 0.00 H new ATOM 0 HE2 PHE A 50 5.728 -2.512 -0.234 1.00 0.00 H new ATOM 0 HZ PHE A 50 7.459 -0.757 0.004 1.00 0.00 H new ATOM 801 N THR A 51 3.490 -3.397 4.266 1.00 0.00 N ATOM 802 CA THR A 51 4.195 -4.716 4.237 1.00 0.00 C ATOM 803 C THR A 51 3.656 -5.546 3.072 1.00 0.00 C ATOM 804 O THR A 51 2.510 -5.426 2.694 1.00 0.00 O ATOM 805 CB THR A 51 3.950 -5.460 5.552 1.00 0.00 C ATOM 806 OG1 THR A 51 4.453 -6.782 5.445 1.00 0.00 O ATOM 807 CG2 THR A 51 2.453 -5.505 5.853 1.00 0.00 C ATOM 0 H THR A 51 2.488 -3.441 4.078 1.00 0.00 H new ATOM 0 HA THR A 51 5.266 -4.556 4.110 1.00 0.00 H new ATOM 0 HB THR A 51 4.461 -4.938 6.361 1.00 0.00 H new ATOM 0 HG1 THR A 51 4.299 -7.260 6.287 1.00 0.00 H new ATOM 0 HG21 THR A 51 2.286 -6.036 6.790 1.00 0.00 H new ATOM 0 HG22 THR A 51 2.068 -4.489 5.938 1.00 0.00 H new ATOM 0 HG23 THR A 51 1.935 -6.023 5.046 1.00 0.00 H new ATOM 815 N ILE A 52 4.483 -6.382 2.494 1.00 0.00 N ATOM 816 CA ILE A 52 4.034 -7.221 1.339 1.00 0.00 C ATOM 817 C ILE A 52 3.858 -8.665 1.795 1.00 0.00 C ATOM 818 O ILE A 52 4.747 -9.267 2.362 1.00 0.00 O ATOM 819 CB ILE A 52 5.091 -7.165 0.236 1.00 0.00 C ATOM 820 CG1 ILE A 52 5.375 -5.699 -0.129 1.00 0.00 C ATOM 821 CG2 ILE A 52 4.592 -7.922 -0.997 1.00 0.00 C ATOM 822 CD1 ILE A 52 4.072 -4.972 -0.495 1.00 0.00 C ATOM 0 H ILE A 52 5.454 -6.520 2.774 1.00 0.00 H new ATOM 0 HA ILE A 52 3.085 -6.842 0.960 1.00 0.00 H new ATOM 0 HB ILE A 52 6.010 -7.631 0.591 1.00 0.00 H new ATOM 0 HG12 ILE A 52 5.855 -5.196 0.710 1.00 0.00 H new ATOM 0 HG13 ILE A 52 6.070 -5.655 -0.967 1.00 0.00 H new ATOM 0 HG21 ILE A 52 5.348 -7.880 -1.781 1.00 0.00 H new ATOM 0 HG22 ILE A 52 4.401 -8.962 -0.733 1.00 0.00 H new ATOM 0 HG23 ILE A 52 3.671 -7.464 -1.357 1.00 0.00 H new ATOM 0 HD11 ILE A 52 4.293 -3.936 -0.750 1.00 0.00 H new ATOM 0 HD12 ILE A 52 3.608 -5.465 -1.349 1.00 0.00 H new ATOM 0 HD13 ILE A 52 3.390 -4.999 0.354 1.00 0.00 H new ATOM 834 N TRP A 53 2.704 -9.224 1.551 1.00 0.00 N ATOM 835 CA TRP A 53 2.435 -10.632 1.965 1.00 0.00 C ATOM 836 C TRP A 53 2.638 -11.570 0.774 1.00 0.00 C ATOM 837 O TRP A 53 2.390 -11.217 -0.360 1.00 0.00 O ATOM 838 CB TRP A 53 0.992 -10.729 2.451 1.00 0.00 C ATOM 839 CG TRP A 53 0.849 -9.955 3.725 1.00 0.00 C ATOM 840 CD1 TRP A 53 0.687 -8.613 3.807 1.00 0.00 C ATOM 841 CD2 TRP A 53 0.849 -10.452 5.094 1.00 0.00 C ATOM 842 NE1 TRP A 53 0.591 -8.255 5.141 1.00 0.00 N ATOM 843 CE2 TRP A 53 0.683 -9.355 5.973 1.00 0.00 C ATOM 844 CE3 TRP A 53 0.975 -11.737 5.651 1.00 0.00 C ATOM 845 CZ2 TRP A 53 0.647 -9.528 7.358 1.00 0.00 C ATOM 846 CZ3 TRP A 53 0.938 -11.914 7.044 1.00 0.00 C ATOM 847 CH2 TRP A 53 0.773 -10.812 7.895 1.00 0.00 C ATOM 0 H TRP A 53 1.928 -8.761 1.078 1.00 0.00 H new ATOM 0 HA TRP A 53 3.119 -10.921 2.763 1.00 0.00 H new ATOM 0 HB2 TRP A 53 0.313 -10.335 1.694 1.00 0.00 H new ATOM 0 HB3 TRP A 53 0.719 -11.772 2.612 1.00 0.00 H new ATOM 0 HD1 TRP A 53 0.640 -7.933 2.969 1.00 0.00 H new ATOM 0 HE1 TRP A 53 0.468 -7.297 5.469 1.00 0.00 H new ATOM 0 HE3 TRP A 53 1.101 -12.593 5.004 1.00 0.00 H new ATOM 0 HZ2 TRP A 53 0.523 -8.676 8.010 1.00 0.00 H new ATOM 0 HZ3 TRP A 53 1.037 -12.905 7.462 1.00 0.00 H new ATOM 0 HH2 TRP A 53 0.743 -10.955 8.965 1.00 0.00 H new ATOM 858 N LYS A 54 3.084 -12.766 1.031 1.00 0.00 N ATOM 859 CA LYS A 54 3.305 -13.745 -0.070 1.00 0.00 C ATOM 860 C LYS A 54 1.959 -14.353 -0.484 1.00 0.00 C ATOM 861 O LYS A 54 1.846 -15.006 -1.504 1.00 0.00 O ATOM 862 CB LYS A 54 4.230 -14.855 0.433 1.00 0.00 C ATOM 863 CG LYS A 54 5.629 -14.283 0.687 1.00 0.00 C ATOM 864 CD LYS A 54 6.548 -15.389 1.215 1.00 0.00 C ATOM 865 CE LYS A 54 7.970 -14.844 1.384 1.00 0.00 C ATOM 866 NZ LYS A 54 7.976 -13.778 2.428 1.00 0.00 N ATOM 0 H LYS A 54 3.307 -13.111 1.964 1.00 0.00 H new ATOM 0 HA LYS A 54 3.757 -13.246 -0.927 1.00 0.00 H new ATOM 0 HB2 LYS A 54 3.831 -15.287 1.351 1.00 0.00 H new ATOM 0 HB3 LYS A 54 4.283 -15.659 -0.301 1.00 0.00 H new ATOM 0 HG2 LYS A 54 6.036 -13.867 -0.235 1.00 0.00 H new ATOM 0 HG3 LYS A 54 5.574 -13.467 1.408 1.00 0.00 H new ATOM 0 HD2 LYS A 54 6.175 -15.760 2.170 1.00 0.00 H new ATOM 0 HD3 LYS A 54 6.551 -16.232 0.525 1.00 0.00 H new ATOM 0 HE2 LYS A 54 8.648 -15.649 1.668 1.00 0.00 H new ATOM 0 HE3 LYS A 54 8.331 -14.442 0.437 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 8.958 -13.540 2.675 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 7.496 -12.931 2.062 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 7.478 -14.119 3.275 1.00 0.00 H new ATOM 919 N LEU A 58 2.576 -11.297 -5.170 1.00 0.00 N ATOM 920 CA LEU A 58 2.814 -10.104 -6.045 1.00 0.00 C ATOM 921 C LEU A 58 4.323 -9.945 -6.309 1.00 0.00 C ATOM 922 O LEU A 58 5.141 -10.329 -5.497 1.00 0.00 O ATOM 923 CB LEU A 58 2.274 -8.859 -5.333 1.00 0.00 C ATOM 924 CG LEU A 58 0.732 -8.832 -5.429 1.00 0.00 C ATOM 925 CD1 LEU A 58 0.149 -8.048 -4.249 1.00 0.00 C ATOM 926 CD2 LEU A 58 0.296 -8.160 -6.740 1.00 0.00 C ATOM 0 HA LEU A 58 2.304 -10.234 -7.000 1.00 0.00 H new ATOM 0 HB2 LEU A 58 2.583 -8.863 -4.288 1.00 0.00 H new ATOM 0 HB3 LEU A 58 2.692 -7.960 -5.785 1.00 0.00 H new ATOM 0 HG LEU A 58 0.365 -9.858 -5.406 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -0.938 -8.033 -4.324 1.00 0.00 H new ATOM 0 HD12 LEU A 58 0.442 -8.526 -3.314 1.00 0.00 H new ATOM 0 HD13 LEU A 58 0.528 -7.026 -4.268 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -0.792 -8.146 -6.797 1.00 0.00 H new ATOM 0 HD22 LEU A 58 0.674 -7.138 -6.768 1.00 0.00 H new ATOM 0 HD23 LEU A 58 0.697 -8.718 -7.586 1.00 0.00 H new ATOM 938 N PRO A 59 4.691 -9.391 -7.448 1.00 0.00 N ATOM 939 CA PRO A 59 6.128 -9.195 -7.838 1.00 0.00 C ATOM 940 C PRO A 59 6.859 -8.121 -7.010 1.00 0.00 C ATOM 941 O PRO A 59 6.258 -7.336 -6.305 1.00 0.00 O ATOM 942 CB PRO A 59 6.048 -8.794 -9.318 1.00 0.00 C ATOM 943 CG PRO A 59 4.706 -8.158 -9.468 1.00 0.00 C ATOM 944 CD PRO A 59 3.781 -8.898 -8.502 1.00 0.00 C ATOM 0 HA PRO A 59 6.711 -10.098 -7.656 1.00 0.00 H new ATOM 0 HB2 PRO A 59 6.846 -8.101 -9.584 1.00 0.00 H new ATOM 0 HB3 PRO A 59 6.149 -9.662 -9.969 1.00 0.00 H new ATOM 0 HG2 PRO A 59 4.749 -7.095 -9.231 1.00 0.00 H new ATOM 0 HG3 PRO A 59 4.347 -8.241 -10.494 1.00 0.00 H new ATOM 0 HD2 PRO A 59 3.018 -8.236 -8.093 1.00 0.00 H new ATOM 0 HD3 PRO A 59 3.260 -9.718 -8.996 1.00 0.00 H new ATOM 952 N LEU A 60 8.166 -8.116 -7.096 1.00 0.00 N ATOM 953 CA LEU A 60 8.995 -7.140 -6.326 1.00 0.00 C ATOM 954 C LEU A 60 8.738 -5.710 -6.804 1.00 0.00 C ATOM 955 O LEU A 60 8.570 -5.446 -7.977 1.00 0.00 O ATOM 956 CB LEU A 60 10.473 -7.488 -6.526 1.00 0.00 C ATOM 957 CG LEU A 60 10.710 -8.956 -6.150 1.00 0.00 C ATOM 958 CD1 LEU A 60 12.184 -9.308 -6.373 1.00 0.00 C ATOM 959 CD2 LEU A 60 10.340 -9.188 -4.675 1.00 0.00 C ATOM 0 H LEU A 60 8.702 -8.759 -7.678 1.00 0.00 H new ATOM 0 HA LEU A 60 8.728 -7.200 -5.271 1.00 0.00 H new ATOM 0 HB2 LEU A 60 10.760 -7.317 -7.563 1.00 0.00 H new ATOM 0 HB3 LEU A 60 11.097 -6.839 -5.911 1.00 0.00 H new ATOM 0 HG LEU A 60 10.084 -9.592 -6.777 1.00 0.00 H new ATOM 0 HD11 LEU A 60 12.353 -10.351 -6.106 1.00 0.00 H new ATOM 0 HD12 LEU A 60 12.440 -9.156 -7.422 1.00 0.00 H new ATOM 0 HD13 LEU A 60 12.809 -8.668 -5.750 1.00 0.00 H new ATOM 0 HD21 LEU A 60 10.511 -10.233 -4.417 1.00 0.00 H new ATOM 0 HD22 LEU A 60 10.957 -8.552 -4.041 1.00 0.00 H new ATOM 0 HD23 LEU A 60 9.289 -8.944 -4.521 1.00 0.00 H new ATOM 971 N LEU A 61 8.700 -4.788 -5.879 1.00 0.00 N ATOM 972 CA LEU A 61 8.446 -3.359 -6.225 1.00 0.00 C ATOM 973 C LEU A 61 9.765 -2.659 -6.565 1.00 0.00 C ATOM 974 O LEU A 61 10.798 -2.949 -5.998 1.00 0.00 O ATOM 975 CB LEU A 61 7.800 -2.674 -5.017 1.00 0.00 C ATOM 976 CG LEU A 61 6.314 -3.033 -4.956 1.00 0.00 C ATOM 977 CD1 LEU A 61 6.152 -4.556 -4.905 1.00 0.00 C ATOM 978 CD2 LEU A 61 5.697 -2.411 -3.703 1.00 0.00 C ATOM 0 H LEU A 61 8.836 -4.967 -4.884 1.00 0.00 H new ATOM 0 HA LEU A 61 7.785 -3.301 -7.090 1.00 0.00 H new ATOM 0 HB2 LEU A 61 8.298 -2.987 -4.099 1.00 0.00 H new ATOM 0 HB3 LEU A 61 7.920 -1.593 -5.092 1.00 0.00 H new ATOM 0 HG LEU A 61 5.810 -2.649 -5.843 1.00 0.00 H new ATOM 0 HD11 LEU A 61 5.092 -4.808 -4.862 1.00 0.00 H new ATOM 0 HD12 LEU A 61 6.594 -4.999 -5.797 1.00 0.00 H new ATOM 0 HD13 LEU A 61 6.654 -4.946 -4.020 1.00 0.00 H new ATOM 0 HD21 LEU A 61 4.638 -2.664 -3.655 1.00 0.00 H new ATOM 0 HD22 LEU A 61 6.203 -2.797 -2.818 1.00 0.00 H new ATOM 0 HD23 LEU A 61 5.810 -1.328 -3.741 1.00 0.00 H new ATOM 990 N GLU A 62 9.730 -1.729 -7.484 1.00 0.00 N ATOM 991 CA GLU A 62 10.972 -0.988 -7.867 1.00 0.00 C ATOM 992 C GLU A 62 10.999 0.358 -7.136 1.00 0.00 C ATOM 993 O GLU A 62 10.058 1.124 -7.180 1.00 0.00 O ATOM 994 CB GLU A 62 10.977 -0.756 -9.379 1.00 0.00 C ATOM 995 CG GLU A 62 12.270 -0.046 -9.782 1.00 0.00 C ATOM 996 CD GLU A 62 12.306 0.120 -11.301 1.00 0.00 C ATOM 997 OE1 GLU A 62 11.280 -0.093 -11.924 1.00 0.00 O ATOM 998 OE2 GLU A 62 13.360 0.456 -11.816 1.00 0.00 O ATOM 0 H GLU A 62 8.890 -1.448 -7.989 1.00 0.00 H new ATOM 0 HA GLU A 62 11.851 -1.569 -7.590 1.00 0.00 H new ATOM 0 HB2 GLU A 62 10.893 -1.708 -9.904 1.00 0.00 H new ATOM 0 HB3 GLU A 62 10.115 -0.156 -9.668 1.00 0.00 H new ATOM 0 HG2 GLU A 62 12.329 0.928 -9.297 1.00 0.00 H new ATOM 0 HG3 GLU A 62 13.133 -0.621 -9.447 1.00 0.00 H new ATOM 1005 N GLN A 63 12.071 0.634 -6.446 1.00 0.00 N ATOM 1006 CA GLN A 63 12.179 1.911 -5.678 1.00 0.00 C ATOM 1007 C GLN A 63 12.289 3.115 -6.617 1.00 0.00 C ATOM 1008 O GLN A 63 12.972 3.077 -7.622 1.00 0.00 O ATOM 1009 CB GLN A 63 13.425 1.848 -4.789 1.00 0.00 C ATOM 1010 CG GLN A 63 13.349 2.922 -3.700 1.00 0.00 C ATOM 1011 CD GLN A 63 13.496 4.309 -4.329 1.00 0.00 C ATOM 1012 OE1 GLN A 63 14.352 4.523 -5.166 1.00 0.00 O ATOM 1013 NE2 GLN A 63 12.690 5.268 -3.962 1.00 0.00 N ATOM 0 H GLN A 63 12.886 0.024 -6.380 1.00 0.00 H new ATOM 0 HA GLN A 63 11.280 2.032 -5.073 1.00 0.00 H new ATOM 0 HB2 GLN A 63 13.506 0.861 -4.333 1.00 0.00 H new ATOM 0 HB3 GLN A 63 14.320 1.994 -5.393 1.00 0.00 H new ATOM 0 HG2 GLN A 63 12.398 2.851 -3.172 1.00 0.00 H new ATOM 0 HG3 GLN A 63 14.136 2.762 -2.963 1.00 0.00 H new ATOM 0 HE21 GLN A 63 11.972 5.090 -3.260 1.00 0.00 H new ATOM 0 HE22 GLN A 63 12.779 6.195 -4.377 1.00 0.00 H new ATOM 1022 N GLY A 64 11.633 4.196 -6.273 1.00 0.00 N ATOM 1023 CA GLY A 64 11.703 5.429 -7.115 1.00 0.00 C ATOM 1024 C GLY A 64 10.568 5.444 -8.140 1.00 0.00 C ATOM 1025 O GLY A 64 10.643 6.142 -9.132 1.00 0.00 O ATOM 0 H GLY A 64 11.049 4.277 -5.441 1.00 0.00 H new ATOM 0 HA2 GLY A 64 11.640 6.313 -6.481 1.00 0.00 H new ATOM 0 HA3 GLY A 64 12.664 5.472 -7.627 1.00 0.00 H new ATOM 1029 N GLU A 65 9.518 4.689 -7.919 1.00 0.00 N ATOM 1030 CA GLU A 65 8.384 4.679 -8.901 1.00 0.00 C ATOM 1031 C GLU A 65 7.040 4.668 -8.167 1.00 0.00 C ATOM 1032 O GLU A 65 6.932 4.253 -7.025 1.00 0.00 O ATOM 1033 CB GLU A 65 8.490 3.440 -9.801 1.00 0.00 C ATOM 1034 CG GLU A 65 9.735 3.547 -10.700 1.00 0.00 C ATOM 1035 CD GLU A 65 10.976 3.089 -9.933 1.00 0.00 C ATOM 1036 OE1 GLU A 65 10.847 2.808 -8.754 1.00 0.00 O ATOM 1037 OE2 GLU A 65 12.033 3.019 -10.539 1.00 0.00 O ATOM 0 H GLU A 65 9.396 4.083 -7.108 1.00 0.00 H new ATOM 0 HA GLU A 65 8.443 5.580 -9.512 1.00 0.00 H new ATOM 0 HB2 GLU A 65 8.549 2.540 -9.189 1.00 0.00 H new ATOM 0 HB3 GLU A 65 7.594 3.349 -10.415 1.00 0.00 H new ATOM 0 HG2 GLU A 65 9.603 2.935 -11.592 1.00 0.00 H new ATOM 0 HG3 GLU A 65 9.864 4.576 -11.035 1.00 0.00 H new ATOM 1044 N SER A 66 6.014 5.144 -8.826 1.00 0.00 N ATOM 1045 CA SER A 66 4.661 5.194 -8.205 1.00 0.00 C ATOM 1046 C SER A 66 3.982 3.828 -8.289 1.00 0.00 C ATOM 1047 O SER A 66 4.292 3.015 -9.137 1.00 0.00 O ATOM 1048 CB SER A 66 3.810 6.227 -8.941 1.00 0.00 C ATOM 1049 OG SER A 66 3.919 6.011 -10.342 1.00 0.00 O ATOM 0 H SER A 66 6.060 5.504 -9.779 1.00 0.00 H new ATOM 0 HA SER A 66 4.764 5.471 -7.156 1.00 0.00 H new ATOM 0 HB2 SER A 66 2.769 6.147 -8.629 1.00 0.00 H new ATOM 0 HB3 SER A 66 4.142 7.234 -8.690 1.00 0.00 H new ATOM 0 HG SER A 66 3.373 6.671 -10.818 1.00 0.00 H new ATOM 1055 N TYR A 67 3.045 3.577 -7.413 1.00 0.00 N ATOM 1056 CA TYR A 67 2.322 2.271 -7.424 1.00 0.00 C ATOM 1057 C TYR A 67 0.870 2.484 -6.998 1.00 0.00 C ATOM 1058 O TYR A 67 0.574 3.298 -6.141 1.00 0.00 O ATOM 1059 CB TYR A 67 2.996 1.306 -6.448 1.00 0.00 C ATOM 1060 CG TYR A 67 4.347 0.917 -6.985 1.00 0.00 C ATOM 1061 CD1 TYR A 67 5.467 1.708 -6.712 1.00 0.00 C ATOM 1062 CD2 TYR A 67 4.475 -0.236 -7.762 1.00 0.00 C ATOM 1063 CE1 TYR A 67 6.720 1.341 -7.217 1.00 0.00 C ATOM 1064 CE2 TYR A 67 5.726 -0.604 -8.270 1.00 0.00 C ATOM 1065 CZ TYR A 67 6.849 0.186 -7.997 1.00 0.00 C ATOM 1066 OH TYR A 67 8.081 -0.175 -8.498 1.00 0.00 O ATOM 0 H TYR A 67 2.747 4.226 -6.685 1.00 0.00 H new ATOM 0 HA TYR A 67 2.349 1.854 -8.431 1.00 0.00 H new ATOM 0 HB2 TYR A 67 3.102 1.775 -5.470 1.00 0.00 H new ATOM 0 HB3 TYR A 67 2.378 0.419 -6.310 1.00 0.00 H new ATOM 0 HD1 TYR A 67 5.366 2.601 -6.113 1.00 0.00 H new ATOM 0 HD2 TYR A 67 3.608 -0.845 -7.971 1.00 0.00 H new ATOM 0 HE1 TYR A 67 7.587 1.949 -7.005 1.00 0.00 H new ATOM 0 HE2 TYR A 67 5.825 -1.496 -8.871 1.00 0.00 H new ATOM 0 HH TYR A 67 8.753 0.481 -8.217 1.00 0.00 H new ATOM 1076 N LEU A 68 -0.035 1.741 -7.586 1.00 0.00 N ATOM 1077 CA LEU A 68 -1.481 1.861 -7.227 1.00 0.00 C ATOM 1078 C LEU A 68 -1.906 0.572 -6.524 1.00 0.00 C ATOM 1079 O LEU A 68 -1.855 -0.500 -7.092 1.00 0.00 O ATOM 1080 CB LEU A 68 -2.300 2.056 -8.512 1.00 0.00 C ATOM 1081 CG LEU A 68 -3.798 1.878 -8.231 1.00 0.00 C ATOM 1082 CD1 LEU A 68 -4.216 2.752 -7.045 1.00 0.00 C ATOM 1083 CD2 LEU A 68 -4.591 2.299 -9.472 1.00 0.00 C ATOM 0 H LEU A 68 0.170 1.049 -8.307 1.00 0.00 H new ATOM 0 HA LEU A 68 -1.648 2.713 -6.568 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -2.117 3.050 -8.919 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -1.978 1.338 -9.267 1.00 0.00 H new ATOM 0 HG LEU A 68 -4.000 0.834 -7.993 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -5.281 2.619 -6.853 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -3.649 2.461 -6.161 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -4.017 3.798 -7.276 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -5.657 2.176 -9.282 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -4.382 3.344 -9.700 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -4.299 1.677 -10.318 1.00 0.00 H new ATOM 1095 N LEU A 69 -2.318 0.670 -5.289 1.00 0.00 N ATOM 1096 CA LEU A 69 -2.741 -0.544 -4.530 1.00 0.00 C ATOM 1097 C LEU A 69 -4.263 -0.583 -4.462 1.00 0.00 C ATOM 1098 O LEU A 69 -4.897 0.372 -4.064 1.00 0.00 O ATOM 1099 CB LEU A 69 -2.159 -0.478 -3.114 1.00 0.00 C ATOM 1100 CG LEU A 69 -0.615 -0.360 -3.185 1.00 0.00 C ATOM 1101 CD1 LEU A 69 -0.187 1.113 -3.134 1.00 0.00 C ATOM 1102 CD2 LEU A 69 0.022 -1.095 -2.001 1.00 0.00 C ATOM 0 H LEU A 69 -2.380 1.545 -4.769 1.00 0.00 H new ATOM 0 HA LEU A 69 -2.378 -1.443 -5.028 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -2.574 0.377 -2.580 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -2.439 -1.370 -2.554 1.00 0.00 H new ATOM 0 HG LEU A 69 -0.283 -0.805 -4.123 1.00 0.00 H new ATOM 0 HD11 LEU A 69 0.900 1.178 -3.185 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -0.622 1.648 -3.978 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -0.534 1.561 -2.203 1.00 0.00 H new ATOM 0 HD21 LEU A 69 1.107 -1.007 -2.059 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -0.328 -0.654 -1.068 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -0.259 -2.148 -2.033 1.00 0.00 H new ATOM 1114 N ARG A 70 -4.856 -1.679 -4.867 1.00 0.00 N ATOM 1115 CA ARG A 70 -6.349 -1.790 -4.854 1.00 0.00 C ATOM 1116 C ARG A 70 -6.796 -2.876 -3.869 1.00 0.00 C ATOM 1117 O ARG A 70 -6.186 -3.926 -3.754 1.00 0.00 O ATOM 1118 CB ARG A 70 -6.827 -2.144 -6.261 1.00 0.00 C ATOM 1119 CG ARG A 70 -6.462 -1.002 -7.214 1.00 0.00 C ATOM 1120 CD ARG A 70 -6.927 -1.343 -8.631 1.00 0.00 C ATOM 1121 NE ARG A 70 -6.162 -2.518 -9.145 1.00 0.00 N ATOM 1122 CZ ARG A 70 -4.995 -2.352 -9.710 1.00 0.00 C ATOM 1123 NH1 ARG A 70 -4.481 -1.157 -9.824 1.00 0.00 N ATOM 1124 NH2 ARG A 70 -4.343 -3.387 -10.165 1.00 0.00 N ATOM 0 H ARG A 70 -4.367 -2.507 -5.208 1.00 0.00 H new ATOM 0 HA ARG A 70 -6.780 -0.840 -4.539 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -6.365 -3.074 -6.593 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -7.905 -2.306 -6.263 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -6.929 -0.075 -6.881 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -5.384 -0.838 -7.204 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -7.994 -1.564 -8.630 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -6.780 -0.486 -9.288 1.00 0.00 H new ATOM 0 HE ARG A 70 -6.553 -3.456 -9.055 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -4.991 -0.347 -9.471 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -3.570 -1.034 -10.266 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -4.744 -4.321 -10.079 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -3.432 -3.262 -10.607 1.00 0.00 H new ATOM 1138 N SER A 71 -7.868 -2.612 -3.165 1.00 0.00 N ATOM 1139 CA SER A 71 -8.413 -3.589 -2.175 1.00 0.00 C ATOM 1140 C SER A 71 -7.375 -3.900 -1.094 1.00 0.00 C ATOM 1141 O SER A 71 -6.896 -5.010 -0.985 1.00 0.00 O ATOM 1142 CB SER A 71 -8.832 -4.877 -2.890 1.00 0.00 C ATOM 1143 OG SER A 71 -7.689 -5.678 -3.137 1.00 0.00 O ATOM 0 H SER A 71 -8.398 -1.743 -3.237 1.00 0.00 H new ATOM 0 HA SER A 71 -9.286 -3.146 -1.695 1.00 0.00 H new ATOM 0 HB2 SER A 71 -9.549 -5.427 -2.280 1.00 0.00 H new ATOM 0 HB3 SER A 71 -9.331 -4.638 -3.829 1.00 0.00 H new ATOM 0 HG SER A 71 -7.111 -5.231 -3.790 1.00 0.00 H new ATOM 1149 N VAL A 72 -7.042 -2.924 -0.278 1.00 0.00 N ATOM 1150 CA VAL A 72 -6.051 -3.147 0.828 1.00 0.00 C ATOM 1151 C VAL A 72 -6.746 -2.949 2.175 1.00 0.00 C ATOM 1152 O VAL A 72 -7.798 -2.337 2.261 1.00 0.00 O ATOM 1153 CB VAL A 72 -4.884 -2.157 0.710 1.00 0.00 C ATOM 1154 CG1 VAL A 72 -4.039 -2.498 -0.522 1.00 0.00 C ATOM 1155 CG2 VAL A 72 -5.418 -0.722 0.582 1.00 0.00 C ATOM 0 H VAL A 72 -7.417 -1.977 -0.331 1.00 0.00 H new ATOM 0 HA VAL A 72 -5.661 -4.162 0.753 1.00 0.00 H new ATOM 0 HB VAL A 72 -4.268 -2.230 1.607 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -3.212 -1.793 -0.602 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -3.645 -3.510 -0.425 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -4.658 -2.434 -1.417 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -4.581 -0.028 0.499 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -6.043 -0.644 -0.307 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -6.009 -0.474 1.464 1.00 0.00 H new ATOM 1165 N VAL A 73 -6.159 -3.470 3.225 1.00 0.00 N ATOM 1166 CA VAL A 73 -6.758 -3.344 4.591 1.00 0.00 C ATOM 1167 C VAL A 73 -5.806 -2.559 5.493 1.00 0.00 C ATOM 1168 O VAL A 73 -4.617 -2.806 5.525 1.00 0.00 O ATOM 1169 CB VAL A 73 -6.976 -4.747 5.171 1.00 0.00 C ATOM 1170 CG1 VAL A 73 -5.642 -5.503 5.243 1.00 0.00 C ATOM 1171 CG2 VAL A 73 -7.568 -4.626 6.576 1.00 0.00 C ATOM 0 H VAL A 73 -5.279 -3.984 3.193 1.00 0.00 H new ATOM 0 HA VAL A 73 -7.711 -2.819 4.531 1.00 0.00 H new ATOM 0 HB VAL A 73 -7.661 -5.297 4.526 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -5.809 -6.498 5.656 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -5.220 -5.592 4.242 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -4.948 -4.957 5.882 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -7.725 -5.621 6.992 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -6.881 -4.070 7.214 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -8.521 -4.100 6.525 1.00 0.00 H new ATOM 1181 N VAL A 74 -6.320 -1.601 6.219 1.00 0.00 N ATOM 1182 CA VAL A 74 -5.447 -0.784 7.114 1.00 0.00 C ATOM 1183 C VAL A 74 -5.333 -1.461 8.479 1.00 0.00 C ATOM 1184 O VAL A 74 -6.277 -1.517 9.240 1.00 0.00 O ATOM 1185 CB VAL A 74 -6.056 0.611 7.267 1.00 0.00 C ATOM 1186 CG1 VAL A 74 -5.048 1.539 7.946 1.00 0.00 C ATOM 1187 CG2 VAL A 74 -6.398 1.162 5.879 1.00 0.00 C ATOM 0 H VAL A 74 -7.308 -1.348 6.231 1.00 0.00 H new ATOM 0 HA VAL A 74 -4.450 -0.698 6.681 1.00 0.00 H new ATOM 0 HB VAL A 74 -6.959 0.552 7.875 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -5.483 2.532 8.054 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -4.796 1.144 8.930 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -4.145 1.603 7.338 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -6.833 2.156 5.979 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -5.491 1.222 5.278 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -7.114 0.501 5.391 1.00 0.00 H new ATOM 1197 N GLY A 75 -4.174 -1.980 8.791 1.00 0.00 N ATOM 1198 CA GLY A 75 -3.979 -2.668 10.102 1.00 0.00 C ATOM 1199 C GLY A 75 -3.554 -1.653 11.164 1.00 0.00 C ATOM 1200 O GLY A 75 -3.278 -0.506 10.872 1.00 0.00 O ATOM 0 H GLY A 75 -3.350 -1.957 8.191 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -4.903 -3.160 10.406 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -3.221 -3.445 10.005 1.00 0.00 H new ATOM 1204 N GLU A 76 -3.498 -2.077 12.399 1.00 0.00 N ATOM 1205 CA GLU A 76 -3.091 -1.156 13.504 1.00 0.00 C ATOM 1206 C GLU A 76 -1.627 -1.414 13.858 1.00 0.00 C ATOM 1207 O GLU A 76 -1.260 -2.506 14.245 1.00 0.00 O ATOM 1208 CB GLU A 76 -3.967 -1.433 14.728 1.00 0.00 C ATOM 1209 CG GLU A 76 -3.608 -0.455 15.847 1.00 0.00 C ATOM 1210 CD GLU A 76 -4.535 -0.686 17.042 1.00 0.00 C ATOM 1211 OE1 GLU A 76 -5.233 -1.687 17.039 1.00 0.00 O ATOM 1212 OE2 GLU A 76 -4.532 0.141 17.938 1.00 0.00 O ATOM 0 H GLU A 76 -3.718 -3.029 12.693 1.00 0.00 H new ATOM 0 HA GLU A 76 -3.213 -0.119 13.190 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -5.020 -1.330 14.465 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -3.822 -2.459 15.067 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -2.569 -0.594 16.147 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -3.703 0.571 15.492 1.00 0.00 H new ATOM 1219 N TYR A 77 -0.788 -0.418 13.722 1.00 0.00 N ATOM 1220 CA TYR A 77 0.666 -0.590 14.041 1.00 0.00 C ATOM 1221 C TYR A 77 1.044 0.297 15.234 1.00 0.00 C ATOM 1222 O TYR A 77 1.195 1.494 15.112 1.00 0.00 O ATOM 1223 CB TYR A 77 1.494 -0.186 12.819 1.00 0.00 C ATOM 1224 CG TYR A 77 2.928 -0.598 13.032 1.00 0.00 C ATOM 1225 CD1 TYR A 77 3.805 0.252 13.713 1.00 0.00 C ATOM 1226 CD2 TYR A 77 3.378 -1.837 12.559 1.00 0.00 C ATOM 1227 CE1 TYR A 77 5.133 -0.132 13.920 1.00 0.00 C ATOM 1228 CE2 TYR A 77 4.707 -2.223 12.767 1.00 0.00 C ATOM 1229 CZ TYR A 77 5.585 -1.371 13.448 1.00 0.00 C ATOM 1230 OH TYR A 77 6.895 -1.752 13.655 1.00 0.00 O ATOM 0 H TYR A 77 -1.048 0.515 13.401 1.00 0.00 H new ATOM 0 HA TYR A 77 0.865 -1.631 14.295 1.00 0.00 H new ATOM 0 HB2 TYR A 77 1.096 -0.661 11.922 1.00 0.00 H new ATOM 0 HB3 TYR A 77 1.432 0.891 12.663 1.00 0.00 H new ATOM 0 HD1 TYR A 77 3.456 1.206 14.079 1.00 0.00 H new ATOM 0 HD2 TYR A 77 2.700 -2.494 12.034 1.00 0.00 H new ATOM 0 HE1 TYR A 77 5.810 0.526 14.444 1.00 0.00 H new ATOM 0 HE2 TYR A 77 5.055 -3.178 12.402 1.00 0.00 H new ATOM 0 HH TYR A 77 7.043 -2.639 13.266 1.00 0.00 H new ATOM 1240 N ASN A 78 1.207 -0.299 16.384 1.00 0.00 N ATOM 1241 CA ASN A 78 1.588 0.471 17.610 1.00 0.00 C ATOM 1242 C ASN A 78 0.823 1.797 17.692 1.00 0.00 C ATOM 1243 O ASN A 78 -0.384 1.822 17.820 1.00 0.00 O ATOM 1244 CB ASN A 78 3.090 0.761 17.585 1.00 0.00 C ATOM 1245 CG ASN A 78 3.867 -0.530 17.831 1.00 0.00 C ATOM 1246 OD1 ASN A 78 3.320 -1.502 18.315 1.00 0.00 O ATOM 1247 ND2 ASN A 78 5.131 -0.579 17.520 1.00 0.00 N ATOM 0 H ASN A 78 1.091 -1.302 16.531 1.00 0.00 H new ATOM 0 HA ASN A 78 1.333 -0.131 18.482 1.00 0.00 H new ATOM 0 HB2 ASN A 78 3.372 1.189 16.623 1.00 0.00 H new ATOM 0 HB3 ASN A 78 3.341 1.499 18.347 1.00 0.00 H new ATOM 0 HD21 ASN A 78 5.663 -1.434 17.682 1.00 0.00 H new ATOM 0 HD22 ASN A 78 5.588 0.237 17.114 1.00 0.00 H new ATOM 1254 N ASP A 79 1.527 2.902 17.650 1.00 0.00 N ATOM 1255 CA ASP A 79 0.862 4.236 17.751 1.00 0.00 C ATOM 1256 C ASP A 79 0.585 4.796 16.355 1.00 0.00 C ATOM 1257 O ASP A 79 -0.073 5.807 16.208 1.00 0.00 O ATOM 1258 CB ASP A 79 1.788 5.194 18.508 1.00 0.00 C ATOM 1259 CG ASP A 79 3.157 5.229 17.823 1.00 0.00 C ATOM 1260 OD1 ASP A 79 3.358 4.453 16.904 1.00 0.00 O ATOM 1261 OD2 ASP A 79 3.982 6.029 18.235 1.00 0.00 O ATOM 0 H ASP A 79 2.541 2.936 17.549 1.00 0.00 H new ATOM 0 HA ASP A 79 -0.084 4.129 18.281 1.00 0.00 H new ATOM 0 HB2 ASP A 79 1.355 6.194 18.530 1.00 0.00 H new ATOM 0 HB3 ASP A 79 1.896 4.870 19.543 1.00 0.00 H new ATOM 1266 N ARG A 80 1.082 4.149 15.329 1.00 0.00 N ATOM 1267 CA ARG A 80 0.855 4.637 13.928 1.00 0.00 C ATOM 1268 C ARG A 80 -0.044 3.658 13.172 1.00 0.00 C ATOM 1269 O ARG A 80 -0.440 2.632 13.686 1.00 0.00 O ATOM 1270 CB ARG A 80 2.193 4.748 13.198 1.00 0.00 C ATOM 1271 CG ARG A 80 2.983 5.930 13.759 1.00 0.00 C ATOM 1272 CD ARG A 80 4.312 6.054 13.012 1.00 0.00 C ATOM 1273 NE ARG A 80 5.074 7.216 13.550 1.00 0.00 N ATOM 1274 CZ ARG A 80 6.091 7.694 12.887 1.00 0.00 C ATOM 1275 NH1 ARG A 80 6.447 7.152 11.753 1.00 0.00 N ATOM 1276 NH2 ARG A 80 6.753 8.715 13.358 1.00 0.00 N ATOM 0 H ARG A 80 1.639 3.298 15.400 1.00 0.00 H new ATOM 0 HA ARG A 80 0.375 5.614 13.970 1.00 0.00 H new ATOM 0 HB2 ARG A 80 2.762 3.826 13.318 1.00 0.00 H new ATOM 0 HB3 ARG A 80 2.026 4.883 12.129 1.00 0.00 H new ATOM 0 HG2 ARG A 80 2.407 6.849 13.654 1.00 0.00 H new ATOM 0 HG3 ARG A 80 3.164 5.788 14.824 1.00 0.00 H new ATOM 0 HD2 ARG A 80 4.893 5.139 13.127 1.00 0.00 H new ATOM 0 HD3 ARG A 80 4.132 6.186 11.945 1.00 0.00 H new ATOM 0 HE ARG A 80 4.800 7.638 14.437 1.00 0.00 H new ATOM 0 HH11 ARG A 80 5.930 6.354 11.385 1.00 0.00 H new ATOM 0 HH12 ARG A 80 7.242 7.527 11.236 1.00 0.00 H new ATOM 0 HH21 ARG A 80 6.475 9.138 14.243 1.00 0.00 H new ATOM 0 HH22 ARG A 80 7.548 9.090 12.841 1.00 0.00 H new ATOM 1290 N PHE A 81 -0.369 3.985 11.947 1.00 0.00 N ATOM 1291 CA PHE A 81 -1.250 3.103 11.118 1.00 0.00 C ATOM 1292 C PHE A 81 -0.422 2.460 10.005 1.00 0.00 C ATOM 1293 O PHE A 81 0.532 3.031 9.519 1.00 0.00 O ATOM 1294 CB PHE A 81 -2.355 3.953 10.492 1.00 0.00 C ATOM 1295 CG PHE A 81 -3.352 4.332 11.558 1.00 0.00 C ATOM 1296 CD1 PHE A 81 -4.383 3.448 11.892 1.00 0.00 C ATOM 1297 CD2 PHE A 81 -3.242 5.563 12.214 1.00 0.00 C ATOM 1298 CE1 PHE A 81 -5.306 3.795 12.883 1.00 0.00 C ATOM 1299 CE2 PHE A 81 -4.167 5.911 13.205 1.00 0.00 C ATOM 1300 CZ PHE A 81 -5.200 5.026 13.540 1.00 0.00 C ATOM 0 H PHE A 81 -0.058 4.836 11.479 1.00 0.00 H new ATOM 0 HA PHE A 81 -1.687 2.325 11.744 1.00 0.00 H new ATOM 0 HB2 PHE A 81 -1.929 4.849 10.040 1.00 0.00 H new ATOM 0 HB3 PHE A 81 -2.850 3.398 9.695 1.00 0.00 H new ATOM 0 HD1 PHE A 81 -4.466 2.498 11.385 1.00 0.00 H new ATOM 0 HD2 PHE A 81 -2.444 6.244 11.956 1.00 0.00 H new ATOM 0 HE1 PHE A 81 -6.102 3.112 13.142 1.00 0.00 H new ATOM 0 HE2 PHE A 81 -4.084 6.861 13.711 1.00 0.00 H new ATOM 0 HZ PHE A 81 -5.914 5.294 14.305 1.00 0.00 H new ATOM 1310 N GLN A 82 -0.779 1.265 9.601 1.00 0.00 N ATOM 1311 CA GLN A 82 -0.015 0.568 8.518 1.00 0.00 C ATOM 1312 C GLN A 82 -0.988 -0.112 7.555 1.00 0.00 C ATOM 1313 O GLN A 82 -2.092 -0.464 7.917 1.00 0.00 O ATOM 1314 CB GLN A 82 0.903 -0.484 9.144 1.00 0.00 C ATOM 1315 CG GLN A 82 1.616 -1.266 8.038 1.00 0.00 C ATOM 1316 CD GLN A 82 2.688 -2.166 8.650 1.00 0.00 C ATOM 1317 OE1 GLN A 82 3.104 -1.961 9.773 1.00 0.00 O ATOM 1318 NE2 GLN A 82 3.156 -3.163 7.951 1.00 0.00 N ATOM 0 H GLN A 82 -1.569 0.740 9.976 1.00 0.00 H new ATOM 0 HA GLN A 82 0.582 1.296 7.969 1.00 0.00 H new ATOM 0 HB2 GLN A 82 1.635 -0.003 9.793 1.00 0.00 H new ATOM 0 HB3 GLN A 82 0.322 -1.164 9.767 1.00 0.00 H new ATOM 0 HG2 GLN A 82 0.896 -1.868 7.483 1.00 0.00 H new ATOM 0 HG3 GLN A 82 2.070 -0.576 7.327 1.00 0.00 H new ATOM 0 HE21 GLN A 82 2.806 -3.334 7.008 1.00 0.00 H new ATOM 0 HE22 GLN A 82 3.872 -3.772 8.347 1.00 0.00 H new ATOM 1327 N VAL A 83 -0.573 -0.303 6.326 1.00 0.00 N ATOM 1328 CA VAL A 83 -1.449 -0.966 5.309 1.00 0.00 C ATOM 1329 C VAL A 83 -0.837 -2.315 4.928 1.00 0.00 C ATOM 1330 O VAL A 83 0.351 -2.430 4.678 1.00 0.00 O ATOM 1331 CB VAL A 83 -1.564 -0.069 4.072 1.00 0.00 C ATOM 1332 CG1 VAL A 83 -2.183 1.272 4.479 1.00 0.00 C ATOM 1333 CG2 VAL A 83 -0.176 0.163 3.465 1.00 0.00 C ATOM 0 H VAL A 83 0.345 -0.025 5.981 1.00 0.00 H new ATOM 0 HA VAL A 83 -2.445 -1.126 5.722 1.00 0.00 H new ATOM 0 HB VAL A 83 -2.197 -0.554 3.329 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -2.267 1.915 3.603 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -3.173 1.102 4.901 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -1.549 1.754 5.223 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -0.265 0.801 2.586 1.00 0.00 H new ATOM 0 HG22 VAL A 83 0.467 0.646 4.201 1.00 0.00 H new ATOM 0 HG23 VAL A 83 0.259 -0.794 3.176 1.00 0.00 H new ATOM 1343 N GLN A 84 -1.645 -3.345 4.906 1.00 0.00 N ATOM 1344 CA GLN A 84 -1.134 -4.712 4.569 1.00 0.00 C ATOM 1345 C GLN A 84 -1.595 -5.111 3.171 1.00 0.00 C ATOM 1346 O GLN A 84 -2.765 -5.061 2.850 1.00 0.00 O ATOM 1347 CB GLN A 84 -1.678 -5.713 5.591 1.00 0.00 C ATOM 1348 CG GLN A 84 -1.061 -5.416 6.957 1.00 0.00 C ATOM 1349 CD GLN A 84 -1.579 -6.417 7.990 1.00 0.00 C ATOM 1350 OE1 GLN A 84 -1.621 -7.605 7.734 1.00 0.00 O ATOM 1351 NE2 GLN A 84 -1.972 -5.985 9.156 1.00 0.00 N ATOM 0 H GLN A 84 -2.644 -3.299 5.108 1.00 0.00 H new ATOM 0 HA GLN A 84 -0.044 -4.709 4.595 1.00 0.00 H new ATOM 0 HB2 GLN A 84 -2.764 -5.642 5.645 1.00 0.00 H new ATOM 0 HB3 GLN A 84 -1.440 -6.731 5.284 1.00 0.00 H new ATOM 0 HG2 GLN A 84 0.026 -5.473 6.895 1.00 0.00 H new ATOM 0 HG3 GLN A 84 -1.310 -4.400 7.265 1.00 0.00 H new ATOM 0 HE21 GLN A 84 -1.936 -4.988 9.369 1.00 0.00 H new ATOM 0 HE22 GLN A 84 -2.315 -6.644 9.855 1.00 0.00 H new ATOM 1360 N VAL A 85 -0.676 -5.512 2.336 1.00 0.00 N ATOM 1361 CA VAL A 85 -1.041 -5.926 0.950 1.00 0.00 C ATOM 1362 C VAL A 85 -1.227 -7.440 0.914 1.00 0.00 C ATOM 1363 O VAL A 85 -0.278 -8.194 0.820 1.00 0.00 O ATOM 1364 CB VAL A 85 0.087 -5.522 0.002 1.00 0.00 C ATOM 1365 CG1 VAL A 85 -0.366 -5.712 -1.444 1.00 0.00 C ATOM 1366 CG2 VAL A 85 0.435 -4.051 0.239 1.00 0.00 C ATOM 0 H VAL A 85 0.318 -5.571 2.555 1.00 0.00 H new ATOM 0 HA VAL A 85 -1.968 -5.441 0.643 1.00 0.00 H new ATOM 0 HB VAL A 85 0.963 -6.143 0.188 1.00 0.00 H new ATOM 0 HG11 VAL A 85 0.440 -5.423 -2.119 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -0.621 -6.758 -1.611 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -1.240 -5.090 -1.636 1.00 0.00 H new ATOM 0 HG21 VAL A 85 1.240 -3.754 -0.434 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -0.443 -3.434 0.049 1.00 0.00 H new ATOM 0 HG23 VAL A 85 0.757 -3.915 1.271 1.00 0.00 H new ATOM 1376 N ASN A 86 -2.451 -7.892 0.994 1.00 0.00 N ATOM 1377 CA ASN A 86 -2.715 -9.361 0.971 1.00 0.00 C ATOM 1378 C ASN A 86 -4.097 -9.629 0.372 1.00 0.00 C ATOM 1379 O ASN A 86 -4.833 -8.719 0.045 1.00 0.00 O ATOM 1380 CB ASN A 86 -2.673 -9.918 2.398 1.00 0.00 C ATOM 1381 CG ASN A 86 -3.593 -9.100 3.308 1.00 0.00 C ATOM 1382 OD1 ASN A 86 -3.521 -9.210 4.517 1.00 0.00 O ATOM 1383 ND2 ASN A 86 -4.462 -8.282 2.781 1.00 0.00 N ATOM 0 H ASN A 86 -3.281 -7.305 1.075 1.00 0.00 H new ATOM 0 HA ASN A 86 -1.951 -9.848 0.365 1.00 0.00 H new ATOM 0 HB2 ASN A 86 -2.983 -10.963 2.398 1.00 0.00 H new ATOM 0 HB3 ASN A 86 -1.652 -9.889 2.779 1.00 0.00 H new ATOM 0 HD21 ASN A 86 -5.079 -7.736 3.383 1.00 0.00 H new ATOM 0 HD22 ASN A 86 -4.524 -8.188 1.767 1.00 0.00 H new ATOM 1390 N LYS A 87 -4.450 -10.879 0.244 1.00 0.00 N ATOM 1391 CA LYS A 87 -5.785 -11.251 -0.312 1.00 0.00 C ATOM 1392 C LYS A 87 -5.938 -10.738 -1.744 1.00 0.00 C ATOM 1393 O LYS A 87 -5.017 -10.771 -2.534 1.00 0.00 O ATOM 1394 CB LYS A 87 -6.898 -10.644 0.551 1.00 0.00 C ATOM 1395 CG LYS A 87 -6.622 -10.873 2.042 1.00 0.00 C ATOM 1396 CD LYS A 87 -6.649 -12.371 2.361 1.00 0.00 C ATOM 1397 CE LYS A 87 -6.535 -12.581 3.871 1.00 0.00 C ATOM 1398 NZ LYS A 87 -6.679 -14.033 4.175 1.00 0.00 N ATOM 0 H LYS A 87 -3.862 -11.671 0.505 1.00 0.00 H new ATOM 0 HA LYS A 87 -5.861 -12.338 -0.310 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -6.976 -9.575 0.352 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -7.856 -11.089 0.282 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -5.651 -10.455 2.308 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -7.369 -10.353 2.642 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -7.574 -12.814 1.992 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -5.828 -12.876 1.851 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -5.573 -12.216 4.230 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -7.306 -12.010 4.389 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -6.602 -14.182 5.201 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -7.607 -14.366 3.845 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -5.928 -14.565 3.691 1.00 0.00 H new ATOM 1412 N ASN A 88 -7.111 -10.276 -2.076 1.00 0.00 N ATOM 1413 CA ASN A 88 -7.366 -9.765 -3.449 1.00 0.00 C ATOM 1414 C ASN A 88 -6.542 -8.498 -3.688 1.00 0.00 C ATOM 1415 O ASN A 88 -6.714 -7.809 -4.674 1.00 0.00 O ATOM 1416 CB ASN A 88 -8.855 -9.447 -3.581 1.00 0.00 C ATOM 1417 CG ASN A 88 -9.127 -8.794 -4.940 1.00 0.00 C ATOM 1418 OD1 ASN A 88 -8.798 -9.350 -5.971 1.00 0.00 O ATOM 1419 ND2 ASN A 88 -9.718 -7.632 -4.985 1.00 0.00 N ATOM 0 H ASN A 88 -7.912 -10.231 -1.446 1.00 0.00 H new ATOM 0 HA ASN A 88 -7.080 -10.515 -4.186 1.00 0.00 H new ATOM 0 HB2 ASN A 88 -9.442 -10.360 -3.482 1.00 0.00 H new ATOM 0 HB3 ASN A 88 -9.166 -8.780 -2.778 1.00 0.00 H new ATOM 0 HD21 ASN A 88 -9.904 -7.189 -5.885 1.00 0.00 H new ATOM 0 HD22 ASN A 88 -9.994 -7.166 -4.120 1.00 0.00 H new ATOM 1426 N SER A 89 -5.646 -8.186 -2.792 1.00 0.00 N ATOM 1427 CA SER A 89 -4.812 -6.965 -2.962 1.00 0.00 C ATOM 1428 C SER A 89 -4.045 -7.046 -4.279 1.00 0.00 C ATOM 1429 O SER A 89 -3.611 -8.101 -4.693 1.00 0.00 O ATOM 1430 CB SER A 89 -3.822 -6.871 -1.802 1.00 0.00 C ATOM 1431 OG SER A 89 -3.180 -8.128 -1.628 1.00 0.00 O ATOM 0 H SER A 89 -5.456 -8.726 -1.948 1.00 0.00 H new ATOM 0 HA SER A 89 -5.453 -6.083 -2.973 1.00 0.00 H new ATOM 0 HB2 SER A 89 -3.082 -6.096 -2.003 1.00 0.00 H new ATOM 0 HB3 SER A 89 -4.342 -6.586 -0.887 1.00 0.00 H new ATOM 0 HG SER A 89 -2.294 -8.103 -2.045 1.00 0.00 H new ATOM 1437 N SER A 90 -3.879 -5.930 -4.944 1.00 0.00 N ATOM 1438 CA SER A 90 -3.139 -5.930 -6.245 1.00 0.00 C ATOM 1439 C SER A 90 -2.272 -4.676 -6.343 1.00 0.00 C ATOM 1440 O SER A 90 -2.534 -3.676 -5.709 1.00 0.00 O ATOM 1441 CB SER A 90 -4.138 -5.942 -7.401 1.00 0.00 C ATOM 1442 OG SER A 90 -5.103 -4.924 -7.197 1.00 0.00 O ATOM 0 H SER A 90 -4.224 -5.018 -4.643 1.00 0.00 H new ATOM 0 HA SER A 90 -2.506 -6.816 -6.298 1.00 0.00 H new ATOM 0 HB2 SER A 90 -3.619 -5.783 -8.347 1.00 0.00 H new ATOM 0 HB3 SER A 90 -4.626 -6.914 -7.465 1.00 0.00 H new ATOM 0 HG SER A 90 -5.744 -4.928 -7.938 1.00 0.00 H new ATOM 1448 N ILE A 91 -1.237 -4.729 -7.141 1.00 0.00 N ATOM 1449 CA ILE A 91 -0.328 -3.552 -7.306 1.00 0.00 C ATOM 1450 C ILE A 91 -0.075 -3.309 -8.794 1.00 0.00 C ATOM 1451 O ILE A 91 0.198 -4.225 -9.543 1.00 0.00 O ATOM 1452 CB ILE A 91 1.004 -3.825 -6.604 1.00 0.00 C ATOM 1453 CG1 ILE A 91 0.774 -3.916 -5.094 1.00 0.00 C ATOM 1454 CG2 ILE A 91 1.985 -2.691 -6.911 1.00 0.00 C ATOM 1455 CD1 ILE A 91 2.046 -4.422 -4.411 1.00 0.00 C ATOM 0 H ILE A 91 -0.979 -5.547 -7.693 1.00 0.00 H new ATOM 0 HA ILE A 91 -0.796 -2.672 -6.865 1.00 0.00 H new ATOM 0 HB ILE A 91 1.420 -4.767 -6.963 1.00 0.00 H new ATOM 0 HG12 ILE A 91 0.501 -2.938 -4.698 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -0.057 -4.589 -4.882 1.00 0.00 H new ATOM 0 HG21 ILE A 91 2.934 -2.885 -6.411 1.00 0.00 H new ATOM 0 HG22 ILE A 91 2.147 -2.632 -7.987 1.00 0.00 H new ATOM 0 HG23 ILE A 91 1.573 -1.747 -6.554 1.00 0.00 H new ATOM 0 HD11 ILE A 91 1.881 -4.486 -3.336 1.00 0.00 H new ATOM 0 HD12 ILE A 91 2.299 -5.409 -4.799 1.00 0.00 H new ATOM 0 HD13 ILE A 91 2.866 -3.732 -4.611 1.00 0.00 H new ATOM 1467 N GLU A 92 -0.156 -2.074 -9.222 1.00 0.00 N ATOM 1468 CA GLU A 92 0.087 -1.739 -10.663 1.00 0.00 C ATOM 1469 C GLU A 92 1.151 -0.646 -10.749 1.00 0.00 C ATOM 1470 O GLU A 92 1.140 0.309 -9.999 1.00 0.00 O ATOM 1471 CB GLU A 92 -1.217 -1.250 -11.301 1.00 0.00 C ATOM 1472 CG GLU A 92 -0.952 -0.842 -12.752 1.00 0.00 C ATOM 1473 CD GLU A 92 -2.274 -0.499 -13.440 1.00 0.00 C ATOM 1474 OE1 GLU A 92 -3.268 -0.378 -12.745 1.00 0.00 O ATOM 1475 OE2 GLU A 92 -2.268 -0.359 -14.653 1.00 0.00 O ATOM 0 H GLU A 92 -0.382 -1.274 -8.630 1.00 0.00 H new ATOM 0 HA GLU A 92 0.433 -2.625 -11.196 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -1.970 -2.037 -11.265 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -1.614 -0.404 -10.740 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -0.282 0.017 -12.782 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -0.454 -1.653 -13.283 1.00 0.00 H new ATOM 1482 N LYS A 93 2.075 -0.784 -11.661 1.00 0.00 N ATOM 1483 CA LYS A 93 3.149 0.241 -11.801 1.00 0.00 C ATOM 1484 C LYS A 93 2.618 1.438 -12.585 1.00 0.00 C ATOM 1485 O LYS A 93 2.061 1.295 -13.655 1.00 0.00 O ATOM 1486 CB LYS A 93 4.336 -0.373 -12.544 1.00 0.00 C ATOM 1487 CG LYS A 93 5.472 0.647 -12.620 1.00 0.00 C ATOM 1488 CD LYS A 93 6.685 0.011 -13.301 1.00 0.00 C ATOM 1489 CE LYS A 93 7.824 1.029 -13.360 1.00 0.00 C ATOM 1490 NZ LYS A 93 9.011 0.413 -14.018 1.00 0.00 N ATOM 0 H LYS A 93 2.133 -1.564 -12.316 1.00 0.00 H new ATOM 0 HA LYS A 93 3.467 0.573 -10.813 1.00 0.00 H new ATOM 0 HB2 LYS A 93 4.674 -1.273 -12.030 1.00 0.00 H new ATOM 0 HB3 LYS A 93 4.035 -0.673 -13.548 1.00 0.00 H new ATOM 0 HG2 LYS A 93 5.149 1.526 -13.177 1.00 0.00 H new ATOM 0 HG3 LYS A 93 5.739 0.985 -11.619 1.00 0.00 H new ATOM 0 HD2 LYS A 93 7.002 -0.875 -12.751 1.00 0.00 H new ATOM 0 HD3 LYS A 93 6.422 -0.316 -14.307 1.00 0.00 H new ATOM 0 HE2 LYS A 93 7.507 1.913 -13.913 1.00 0.00 H new ATOM 0 HE3 LYS A 93 8.083 1.358 -12.354 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 9.754 0.249 -13.309 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 8.738 -0.493 -14.450 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 9.371 1.053 -14.755 1.00 0.00 H new ATOM 1504 N LEU A 94 2.791 2.624 -12.058 1.00 0.00 N ATOM 1505 CA LEU A 94 2.302 3.855 -12.758 1.00 0.00 C ATOM 1506 C LEU A 94 3.488 4.604 -13.370 1.00 0.00 C ATOM 1507 O LEU A 94 4.508 4.803 -12.744 1.00 0.00 O ATOM 1508 CB LEU A 94 1.579 4.757 -11.745 1.00 0.00 C ATOM 1509 CG LEU A 94 0.109 4.341 -11.635 1.00 0.00 C ATOM 1510 CD1 LEU A 94 0.014 2.856 -11.272 1.00 0.00 C ATOM 1511 CD2 LEU A 94 -0.576 5.183 -10.554 1.00 0.00 C ATOM 0 H LEU A 94 3.254 2.795 -11.165 1.00 0.00 H new ATOM 0 HA LEU A 94 1.611 3.576 -13.554 1.00 0.00 H new ATOM 0 HB2 LEU A 94 2.061 4.683 -10.770 1.00 0.00 H new ATOM 0 HB3 LEU A 94 1.649 5.799 -12.057 1.00 0.00 H new ATOM 0 HG LEU A 94 -0.386 4.504 -12.592 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -1.034 2.567 -11.195 1.00 0.00 H new ATOM 0 HD12 LEU A 94 0.499 2.261 -12.045 1.00 0.00 H new ATOM 0 HD13 LEU A 94 0.509 2.683 -10.317 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -1.623 4.890 -10.473 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -0.079 5.022 -9.598 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -0.515 6.238 -10.821 1.00 0.00 H new ATOM 1523 N SER A 95 3.344 5.027 -14.594 1.00 0.00 N ATOM 1524 CA SER A 95 4.438 5.776 -15.274 1.00 0.00 C ATOM 1525 C SER A 95 4.274 7.265 -14.975 1.00 0.00 C ATOM 1526 O SER A 95 4.945 8.099 -15.549 1.00 0.00 O ATOM 1527 CB SER A 95 4.346 5.542 -16.779 1.00 0.00 C ATOM 1528 OG SER A 95 3.152 6.134 -17.273 1.00 0.00 O ATOM 0 H SER A 95 2.507 4.885 -15.159 1.00 0.00 H new ATOM 0 HA SER A 95 5.408 5.433 -14.914 1.00 0.00 H new ATOM 0 HB2 SER A 95 5.213 5.973 -17.280 1.00 0.00 H new ATOM 0 HB3 SER A 95 4.352 4.473 -16.994 1.00 0.00 H new ATOM 0 HG SER A 95 3.090 5.987 -18.240 1.00 0.00 H new ATOM 1534 N GLU A 96 3.372 7.597 -14.085 1.00 0.00 N ATOM 1535 CA GLU A 96 3.131 9.031 -13.725 1.00 0.00 C ATOM 1536 C GLU A 96 3.461 9.241 -12.239 1.00 0.00 C ATOM 1537 O GLU A 96 2.607 9.097 -11.383 1.00 0.00 O ATOM 1538 CB GLU A 96 1.656 9.362 -13.969 1.00 0.00 C ATOM 1539 CG GLU A 96 1.412 9.479 -15.476 1.00 0.00 C ATOM 1540 CD GLU A 96 -0.087 9.585 -15.752 1.00 0.00 C ATOM 1541 OE1 GLU A 96 -0.841 8.884 -15.096 1.00 0.00 O ATOM 1542 OE2 GLU A 96 -0.457 10.361 -16.616 1.00 0.00 O ATOM 0 H GLU A 96 2.785 6.928 -13.586 1.00 0.00 H new ATOM 0 HA GLU A 96 3.761 9.679 -14.334 1.00 0.00 H new ATOM 0 HB2 GLU A 96 1.021 8.585 -13.544 1.00 0.00 H new ATOM 0 HB3 GLU A 96 1.393 10.296 -13.472 1.00 0.00 H new ATOM 0 HG2 GLU A 96 1.926 10.356 -15.870 1.00 0.00 H new ATOM 0 HG3 GLU A 96 1.825 8.610 -15.989 1.00 0.00 H new ATOM 1549 N PRO A 97 4.690 9.587 -11.931 1.00 0.00 N ATOM 1550 CA PRO A 97 5.134 9.829 -10.522 1.00 0.00 C ATOM 1551 C PRO A 97 4.283 10.884 -9.808 1.00 0.00 C ATOM 1552 O PRO A 97 3.789 11.815 -10.413 1.00 0.00 O ATOM 1553 CB PRO A 97 6.591 10.311 -10.672 1.00 0.00 C ATOM 1554 CG PRO A 97 7.039 9.795 -12.002 1.00 0.00 C ATOM 1555 CD PRO A 97 5.795 9.772 -12.886 1.00 0.00 C ATOM 0 HA PRO A 97 5.035 8.932 -9.911 1.00 0.00 H new ATOM 0 HB2 PRO A 97 6.652 11.398 -10.630 1.00 0.00 H new ATOM 0 HB3 PRO A 97 7.218 9.925 -9.868 1.00 0.00 H new ATOM 0 HG2 PRO A 97 7.810 10.436 -12.430 1.00 0.00 H new ATOM 0 HG3 PRO A 97 7.470 8.798 -11.909 1.00 0.00 H new ATOM 0 HD2 PRO A 97 5.687 10.699 -13.449 1.00 0.00 H new ATOM 0 HD3 PRO A 97 5.836 8.961 -13.613 1.00 0.00 H new ATOM 1563 N ILE A 98 4.108 10.736 -8.523 1.00 0.00 N ATOM 1564 CA ILE A 98 3.287 11.715 -7.755 1.00 0.00 C ATOM 1565 C ILE A 98 4.149 12.912 -7.362 1.00 0.00 C ATOM 1566 O ILE A 98 3.698 13.841 -6.723 1.00 0.00 O ATOM 1567 CB ILE A 98 2.746 11.030 -6.495 1.00 0.00 C ATOM 1568 CG1 ILE A 98 1.739 9.946 -6.899 1.00 0.00 C ATOM 1569 CG2 ILE A 98 2.071 12.066 -5.585 1.00 0.00 C ATOM 1570 CD1 ILE A 98 1.402 9.080 -5.683 1.00 0.00 C ATOM 0 H ILE A 98 4.501 9.975 -7.969 1.00 0.00 H new ATOM 0 HA ILE A 98 2.457 12.063 -8.370 1.00 0.00 H new ATOM 0 HB ILE A 98 3.570 10.570 -5.949 1.00 0.00 H new ATOM 0 HG12 ILE A 98 0.833 10.406 -7.293 1.00 0.00 H new ATOM 0 HG13 ILE A 98 2.155 9.328 -7.695 1.00 0.00 H new ATOM 0 HG21 ILE A 98 1.689 11.572 -4.692 1.00 0.00 H new ATOM 0 HG22 ILE A 98 2.798 12.826 -5.297 1.00 0.00 H new ATOM 0 HG23 ILE A 98 1.246 12.537 -6.120 1.00 0.00 H new ATOM 0 HD11 ILE A 98 0.686 8.310 -5.972 1.00 0.00 H new ATOM 0 HD12 ILE A 98 2.311 8.609 -5.309 1.00 0.00 H new ATOM 0 HD13 ILE A 98 0.968 9.704 -4.901 1.00 0.00 H new