USER MOD reduce.3.24.130724 H: found=0, std=0, add=899, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 901 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 8 GLN : amide:sc= -1.56 K(o=-1.6,f=-0.39) USER MOD Single : A 10 SER OG : rot -170:sc= -1.42 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 ASN : amide:sc= 0 X(o=0,f=-0.063) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 SER OG : rot -134:sc= 0.245 USER MOD Single : A 25 CYS SG : rot 80:sc= -4.08! USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 TYR OH : rot 1:sc= 1.17 USER MOD Single : A 30 THR OG1 : rot -54:sc= 0.639 USER MOD Single : A 37 HIS : no HE2:sc= -12.5! C(o=-13!,f=-9.6!) USER MOD Single : A 41 GLN : amide:sc= -1.24 K(o=-1.2,f=-2.1) USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 GLN : amide:sc= -0.123 X(o=-0.12,f=-0.58) USER MOD Single : A 46 ASN : amide:sc= 0 X(o=0,f=-0.0056) USER MOD Single : A 48 CYS SG : rot -140:sc= -0.225 USER MOD Single : A 53 SER OG : rot -70:sc= 1.1 USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 63 ASN : amide:sc=-0.00247 X(o=-0.0025,f=0) USER MOD Single : A 65 SER OG : rot 180:sc= -1.11 USER MOD Single : A 67 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 85 TYR OH : rot 180:sc= 0 USER MOD Single : A 94 LYS NZ :NH3+ -126:sc= 0.0661 (180deg=0) USER MOD Single : A 96 TYR OH : rot 180:sc= 0 USER MOD Single : A 98 LYS NZ :NH3+ -152:sc= -0.252 (180deg=-1.15) USER MOD Single : A 101 MET CE :methyl -161:sc= 0 (180deg=-0.156) USER MOD Single : A 104 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 107 CYS SG : rot 180:sc= 0 USER MOD Single : A 111 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 117 HIS : no HD1:sc= -2.38! K(o=-2.4!,f=-0.59) USER MOD Single : A 122 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 124 CYS SG : rot -21:sc= -0.38 USER MOD ----------------------------------------------------------------- ATOM 58 N VAL A 4 1.759 2.415 -18.636 1.00 0.00 N ATOM 59 CA VAL A 4 2.487 3.584 -18.162 1.00 0.00 C ATOM 60 C VAL A 4 2.407 4.740 -19.154 1.00 0.00 C ATOM 61 O VAL A 4 2.687 4.579 -20.341 1.00 0.00 O ATOM 62 CB VAL A 4 3.965 3.249 -17.894 1.00 0.00 C ATOM 63 CG1 VAL A 4 4.098 2.401 -16.638 1.00 0.00 C ATOM 64 CG2 VAL A 4 4.581 2.540 -19.091 1.00 0.00 C ATOM 0 HA VAL A 4 2.012 3.889 -17.229 1.00 0.00 H new ATOM 0 HB VAL A 4 4.507 4.182 -17.737 1.00 0.00 H new ATOM 0 HG11 VAL A 4 5.149 2.173 -16.463 1.00 0.00 H new ATOM 0 HG12 VAL A 4 3.698 2.949 -15.785 1.00 0.00 H new ATOM 0 HG13 VAL A 4 3.542 1.472 -16.765 1.00 0.00 H new ATOM 0 HG21 VAL A 4 5.626 2.312 -18.881 1.00 0.00 H new ATOM 0 HG22 VAL A 4 4.039 1.614 -19.284 1.00 0.00 H new ATOM 0 HG23 VAL A 4 4.520 3.185 -19.967 1.00 0.00 H new ATOM 74 N VAL A 5 2.028 5.909 -18.647 1.00 0.00 N ATOM 75 CA VAL A 5 1.913 7.110 -19.467 1.00 0.00 C ATOM 76 C VAL A 5 3.268 7.797 -19.614 1.00 0.00 C ATOM 77 O VAL A 5 4.119 7.694 -18.731 1.00 0.00 O ATOM 78 CB VAL A 5 0.907 8.109 -18.865 1.00 0.00 C ATOM 79 CG1 VAL A 5 -0.516 7.591 -19.016 1.00 0.00 C ATOM 80 CG2 VAL A 5 1.232 8.379 -17.403 1.00 0.00 C ATOM 0 H VAL A 5 1.794 6.050 -17.664 1.00 0.00 H new ATOM 0 HA VAL A 5 1.554 6.795 -20.447 1.00 0.00 H new ATOM 0 HB VAL A 5 0.986 9.049 -19.410 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -1.213 8.310 -18.585 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -0.743 7.455 -20.073 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -0.613 6.637 -18.498 1.00 0.00 H new ATOM 0 HG21 VAL A 5 0.511 9.087 -16.995 1.00 0.00 H new ATOM 0 HG22 VAL A 5 1.183 7.446 -16.841 1.00 0.00 H new ATOM 0 HG23 VAL A 5 2.235 8.797 -17.325 1.00 0.00 H new ATOM 90 N PRO A 6 3.489 8.508 -20.741 1.00 0.00 N ATOM 91 CA PRO A 6 4.740 9.216 -21.012 1.00 0.00 C ATOM 92 C PRO A 6 5.429 9.715 -19.745 1.00 0.00 C ATOM 93 O PRO A 6 6.641 9.565 -19.587 1.00 0.00 O ATOM 94 CB PRO A 6 4.263 10.380 -21.873 1.00 0.00 C ATOM 95 CG PRO A 6 3.115 9.824 -22.656 1.00 0.00 C ATOM 96 CD PRO A 6 2.528 8.689 -21.843 1.00 0.00 C ATOM 0 HA PRO A 6 5.490 8.581 -21.484 1.00 0.00 H new ATOM 0 HB2 PRO A 6 3.952 11.226 -21.260 1.00 0.00 H new ATOM 0 HB3 PRO A 6 5.055 10.738 -22.531 1.00 0.00 H new ATOM 0 HG2 PRO A 6 2.365 10.594 -22.840 1.00 0.00 H new ATOM 0 HG3 PRO A 6 3.450 9.467 -23.630 1.00 0.00 H new ATOM 0 HD2 PRO A 6 1.534 8.937 -21.470 1.00 0.00 H new ATOM 0 HD3 PRO A 6 2.427 7.782 -22.438 1.00 0.00 H new ATOM 104 N ASP A 7 4.648 10.290 -18.836 1.00 0.00 N ATOM 105 CA ASP A 7 5.175 10.786 -17.581 1.00 0.00 C ATOM 106 C ASP A 7 4.269 10.337 -16.440 1.00 0.00 C ATOM 107 O ASP A 7 3.313 11.017 -16.076 1.00 0.00 O ATOM 108 CB ASP A 7 5.298 12.308 -17.614 1.00 0.00 C ATOM 109 CG ASP A 7 6.418 12.779 -18.522 1.00 0.00 C ATOM 110 OD1 ASP A 7 6.161 12.983 -19.727 1.00 0.00 O ATOM 111 OD2 ASP A 7 7.553 12.943 -18.027 1.00 0.00 O ATOM 0 H ASP A 7 3.643 10.422 -18.951 1.00 0.00 H new ATOM 0 HA ASP A 7 6.173 10.377 -17.422 1.00 0.00 H new ATOM 0 HB2 ASP A 7 4.355 12.739 -17.951 1.00 0.00 H new ATOM 0 HB3 ASP A 7 5.474 12.677 -16.604 1.00 0.00 H new ATOM 116 N GLN A 8 4.580 9.176 -15.890 1.00 0.00 N ATOM 117 CA GLN A 8 3.806 8.610 -14.793 1.00 0.00 C ATOM 118 C GLN A 8 3.847 9.550 -13.605 1.00 0.00 C ATOM 119 O GLN A 8 2.827 9.830 -12.975 1.00 0.00 O ATOM 120 CB GLN A 8 4.358 7.238 -14.405 1.00 0.00 C ATOM 121 CG GLN A 8 4.179 6.182 -15.485 1.00 0.00 C ATOM 122 CD GLN A 8 5.490 5.787 -16.136 1.00 0.00 C ATOM 123 OE1 GLN A 8 5.856 6.311 -17.188 1.00 0.00 O ATOM 124 NE2 GLN A 8 6.205 4.859 -15.511 1.00 0.00 N ATOM 0 H GLN A 8 5.369 8.601 -16.186 1.00 0.00 H new ATOM 0 HA GLN A 8 2.772 8.485 -15.113 1.00 0.00 H new ATOM 0 HB2 GLN A 8 5.419 7.334 -14.175 1.00 0.00 H new ATOM 0 HB3 GLN A 8 3.864 6.901 -13.494 1.00 0.00 H new ATOM 0 HG2 GLN A 8 3.713 5.298 -15.050 1.00 0.00 H new ATOM 0 HG3 GLN A 8 3.498 6.559 -16.248 1.00 0.00 H new ATOM 0 HE21 GLN A 8 5.863 4.452 -14.641 1.00 0.00 H new ATOM 0 HE22 GLN A 8 7.097 4.553 -15.901 1.00 0.00 H new ATOM 133 N ARG A 9 5.038 10.057 -13.327 1.00 0.00 N ATOM 134 CA ARG A 9 5.227 10.998 -12.240 1.00 0.00 C ATOM 135 C ARG A 9 4.494 12.290 -12.548 1.00 0.00 C ATOM 136 O ARG A 9 4.138 13.035 -11.643 1.00 0.00 O ATOM 137 CB ARG A 9 6.715 11.272 -12.017 1.00 0.00 C ATOM 138 CG ARG A 9 7.460 11.664 -13.283 1.00 0.00 C ATOM 139 CD ARG A 9 8.719 10.834 -13.472 1.00 0.00 C ATOM 140 NE ARG A 9 9.820 11.310 -12.637 1.00 0.00 N ATOM 141 CZ ARG A 9 10.892 10.582 -12.338 1.00 0.00 C ATOM 142 NH1 ARG A 9 11.014 9.344 -12.801 1.00 0.00 N ATOM 143 NH2 ARG A 9 11.848 11.093 -11.572 1.00 0.00 N ATOM 0 H ARG A 9 5.889 9.830 -13.842 1.00 0.00 H new ATOM 0 HA ARG A 9 4.820 10.565 -11.326 1.00 0.00 H new ATOM 0 HB2 ARG A 9 6.822 12.069 -11.281 1.00 0.00 H new ATOM 0 HB3 ARG A 9 7.180 10.382 -11.593 1.00 0.00 H new ATOM 0 HG2 ARG A 9 6.806 11.535 -14.145 1.00 0.00 H new ATOM 0 HG3 ARG A 9 7.724 12.721 -13.238 1.00 0.00 H new ATOM 0 HD2 ARG A 9 8.506 9.792 -13.231 1.00 0.00 H new ATOM 0 HD3 ARG A 9 9.019 10.864 -14.519 1.00 0.00 H new ATOM 0 HE ARG A 9 9.763 12.257 -12.261 1.00 0.00 H new ATOM 0 HH11 ARG A 9 10.283 8.945 -13.390 1.00 0.00 H new ATOM 0 HH12 ARG A 9 11.839 8.791 -12.568 1.00 0.00 H new ATOM 0 HH21 ARG A 9 11.760 12.044 -11.213 1.00 0.00 H new ATOM 0 HH22 ARG A 9 12.670 10.535 -11.342 1.00 0.00 H new ATOM 157 N SER A 10 4.265 12.553 -13.832 1.00 0.00 N ATOM 158 CA SER A 10 3.562 13.769 -14.225 1.00 0.00 C ATOM 159 C SER A 10 2.146 13.771 -13.668 1.00 0.00 C ATOM 160 O SER A 10 1.637 14.809 -13.244 1.00 0.00 O ATOM 161 CB SER A 10 3.527 13.922 -15.750 1.00 0.00 C ATOM 162 OG SER A 10 4.646 14.657 -16.216 1.00 0.00 O ATOM 0 H SER A 10 4.550 11.952 -14.605 1.00 0.00 H new ATOM 0 HA SER A 10 4.107 14.616 -13.809 1.00 0.00 H new ATOM 0 HB2 SER A 10 3.515 12.937 -16.217 1.00 0.00 H new ATOM 0 HB3 SER A 10 2.608 14.427 -16.047 1.00 0.00 H new ATOM 0 HG SER A 10 4.522 14.876 -17.163 1.00 0.00 H new ATOM 168 N LYS A 11 1.515 12.604 -13.662 1.00 0.00 N ATOM 169 CA LYS A 11 0.160 12.483 -13.146 1.00 0.00 C ATOM 170 C LYS A 11 0.173 12.303 -11.643 1.00 0.00 C ATOM 171 O LYS A 11 -0.635 12.894 -10.936 1.00 0.00 O ATOM 172 CB LYS A 11 -0.576 11.322 -13.817 1.00 0.00 C ATOM 173 CG LYS A 11 -0.367 11.258 -15.322 1.00 0.00 C ATOM 174 CD LYS A 11 -1.263 12.245 -16.052 1.00 0.00 C ATOM 175 CE LYS A 11 -2.662 11.685 -16.252 1.00 0.00 C ATOM 176 NZ LYS A 11 -3.304 12.217 -17.485 1.00 0.00 N ATOM 0 H LYS A 11 1.918 11.733 -14.007 1.00 0.00 H new ATOM 0 HA LYS A 11 -0.372 13.405 -13.378 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -0.242 10.385 -13.372 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -1.642 11.411 -13.610 1.00 0.00 H new ATOM 0 HG2 LYS A 11 0.676 11.471 -15.555 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -0.573 10.248 -15.676 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -1.320 13.174 -15.485 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -0.825 12.488 -17.020 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -2.613 10.598 -16.309 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -3.278 11.931 -15.387 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -4.256 11.810 -17.584 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -3.375 13.253 -17.420 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -2.730 11.960 -18.314 1.00 0.00 H new ATOM 190 N PHE A 12 1.106 11.515 -11.150 1.00 0.00 N ATOM 191 CA PHE A 12 1.216 11.302 -9.730 1.00 0.00 C ATOM 192 C PHE A 12 1.660 12.599 -9.054 1.00 0.00 C ATOM 193 O PHE A 12 1.469 12.780 -7.852 1.00 0.00 O ATOM 194 CB PHE A 12 2.179 10.139 -9.454 1.00 0.00 C ATOM 195 CG PHE A 12 2.960 10.259 -8.180 1.00 0.00 C ATOM 196 CD1 PHE A 12 4.070 11.075 -8.123 1.00 0.00 C ATOM 197 CD2 PHE A 12 2.588 9.548 -7.050 1.00 0.00 C ATOM 198 CE1 PHE A 12 4.803 11.189 -6.955 1.00 0.00 C ATOM 199 CE2 PHE A 12 3.314 9.652 -5.880 1.00 0.00 C ATOM 200 CZ PHE A 12 4.424 10.475 -5.831 1.00 0.00 C ATOM 0 H PHE A 12 1.795 11.015 -11.713 1.00 0.00 H new ATOM 0 HA PHE A 12 0.248 11.027 -9.311 1.00 0.00 H new ATOM 0 HB2 PHE A 12 1.608 9.211 -9.428 1.00 0.00 H new ATOM 0 HB3 PHE A 12 2.878 10.059 -10.286 1.00 0.00 H new ATOM 0 HD1 PHE A 12 4.370 11.631 -8.999 1.00 0.00 H new ATOM 0 HD2 PHE A 12 1.721 8.905 -7.085 1.00 0.00 H new ATOM 0 HE1 PHE A 12 5.669 11.834 -6.920 1.00 0.00 H new ATOM 0 HE2 PHE A 12 3.016 9.092 -5.006 1.00 0.00 H new ATOM 0 HZ PHE A 12 4.994 10.561 -4.918 1.00 0.00 H new ATOM 210 N GLU A 13 2.259 13.500 -9.839 1.00 0.00 N ATOM 211 CA GLU A 13 2.734 14.777 -9.308 1.00 0.00 C ATOM 212 C GLU A 13 1.769 15.930 -9.596 1.00 0.00 C ATOM 213 O GLU A 13 1.742 16.917 -8.863 1.00 0.00 O ATOM 214 CB GLU A 13 4.122 15.109 -9.868 1.00 0.00 C ATOM 215 CG GLU A 13 4.101 15.699 -11.272 1.00 0.00 C ATOM 216 CD GLU A 13 5.463 15.670 -11.937 1.00 0.00 C ATOM 217 OE1 GLU A 13 6.051 14.573 -12.040 1.00 0.00 O ATOM 218 OE2 GLU A 13 5.941 16.746 -12.356 1.00 0.00 O ATOM 0 H GLU A 13 2.425 13.368 -10.837 1.00 0.00 H new ATOM 0 HA GLU A 13 2.793 14.663 -8.226 1.00 0.00 H new ATOM 0 HB2 GLU A 13 4.614 15.813 -9.197 1.00 0.00 H new ATOM 0 HB3 GLU A 13 4.726 14.201 -9.876 1.00 0.00 H new ATOM 0 HG2 GLU A 13 3.390 15.145 -11.884 1.00 0.00 H new ATOM 0 HG3 GLU A 13 3.746 16.728 -11.224 1.00 0.00 H new ATOM 225 N ASN A 14 1.015 15.827 -10.688 1.00 0.00 N ATOM 226 CA ASN A 14 0.099 16.900 -11.076 1.00 0.00 C ATOM 227 C ASN A 14 -1.360 16.591 -10.743 1.00 0.00 C ATOM 228 O ASN A 14 -2.149 17.507 -10.510 1.00 0.00 O ATOM 229 CB ASN A 14 0.233 17.183 -12.573 1.00 0.00 C ATOM 230 CG ASN A 14 -0.441 18.479 -12.980 1.00 0.00 C ATOM 231 OD1 ASN A 14 -1.648 18.516 -13.220 1.00 0.00 O ATOM 232 ND2 ASN A 14 0.339 19.552 -13.059 1.00 0.00 N ATOM 0 H ASN A 14 1.018 15.022 -11.314 1.00 0.00 H new ATOM 0 HA ASN A 14 0.381 17.778 -10.496 1.00 0.00 H new ATOM 0 HB2 ASN A 14 1.289 17.227 -12.838 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -0.203 16.358 -13.136 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -0.058 20.452 -13.327 1.00 0.00 H new ATOM 0 HD22 ASN A 14 1.335 19.475 -12.851 1.00 0.00 H new ATOM 239 N GLU A 15 -1.727 15.316 -10.734 1.00 0.00 N ATOM 240 CA GLU A 15 -3.112 14.940 -10.440 1.00 0.00 C ATOM 241 C GLU A 15 -3.497 15.337 -9.014 1.00 0.00 C ATOM 242 O GLU A 15 -2.722 15.154 -8.078 1.00 0.00 O ATOM 243 CB GLU A 15 -3.323 13.443 -10.661 1.00 0.00 C ATOM 244 CG GLU A 15 -3.627 13.085 -12.105 1.00 0.00 C ATOM 245 CD GLU A 15 -4.054 11.639 -12.271 1.00 0.00 C ATOM 246 OE1 GLU A 15 -3.186 10.748 -12.158 1.00 0.00 O ATOM 247 OE2 GLU A 15 -5.255 11.399 -12.513 1.00 0.00 O ATOM 0 H GLU A 15 -1.101 14.534 -10.923 1.00 0.00 H new ATOM 0 HA GLU A 15 -3.762 15.482 -11.127 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -2.430 12.906 -10.341 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -4.143 13.102 -10.029 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -4.416 13.738 -12.479 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -2.743 13.271 -12.715 1.00 0.00 H new ATOM 254 N GLU A 16 -4.696 15.905 -8.870 1.00 0.00 N ATOM 255 CA GLU A 16 -5.190 16.363 -7.566 1.00 0.00 C ATOM 256 C GLU A 16 -5.340 15.216 -6.570 1.00 0.00 C ATOM 257 O GLU A 16 -4.512 15.065 -5.673 1.00 0.00 O ATOM 258 CB GLU A 16 -6.520 17.110 -7.718 1.00 0.00 C ATOM 259 CG GLU A 16 -7.489 16.469 -8.700 1.00 0.00 C ATOM 260 CD GLU A 16 -7.861 17.391 -9.845 1.00 0.00 C ATOM 261 OE1 GLU A 16 -7.899 18.620 -9.629 1.00 0.00 O ATOM 262 OE2 GLU A 16 -8.115 16.883 -10.958 1.00 0.00 O ATOM 0 H GLU A 16 -5.345 16.060 -9.641 1.00 0.00 H new ATOM 0 HA GLU A 16 -4.442 17.048 -7.168 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -7.000 17.175 -6.742 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -6.315 18.131 -8.041 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -7.043 15.559 -9.102 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -8.394 16.173 -8.169 1.00 0.00 H new ATOM 269 N PHE A 17 -6.388 14.403 -6.721 1.00 0.00 N ATOM 270 CA PHE A 17 -6.605 13.278 -5.818 1.00 0.00 C ATOM 271 C PHE A 17 -5.325 12.475 -5.693 1.00 0.00 C ATOM 272 O PHE A 17 -4.950 12.033 -4.608 1.00 0.00 O ATOM 273 CB PHE A 17 -7.762 12.399 -6.330 1.00 0.00 C ATOM 274 CG PHE A 17 -7.474 10.920 -6.324 1.00 0.00 C ATOM 275 CD1 PHE A 17 -6.649 10.360 -7.284 1.00 0.00 C ATOM 276 CD2 PHE A 17 -8.025 10.096 -5.355 1.00 0.00 C ATOM 277 CE1 PHE A 17 -6.377 9.004 -7.280 1.00 0.00 C ATOM 278 CE2 PHE A 17 -7.756 8.739 -5.346 1.00 0.00 C ATOM 279 CZ PHE A 17 -6.932 8.193 -6.310 1.00 0.00 C ATOM 0 H PHE A 17 -7.091 14.503 -7.453 1.00 0.00 H new ATOM 0 HA PHE A 17 -6.880 13.652 -4.832 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -8.643 12.587 -5.717 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -8.010 12.704 -7.347 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -6.212 10.989 -8.045 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -8.671 10.518 -4.599 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -5.731 8.580 -8.035 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -8.190 8.107 -4.585 1.00 0.00 H new ATOM 0 HZ PHE A 17 -6.722 7.134 -6.305 1.00 0.00 H new ATOM 289 N PHE A 18 -4.667 12.289 -6.823 1.00 0.00 N ATOM 290 CA PHE A 18 -3.438 11.542 -6.885 1.00 0.00 C ATOM 291 C PHE A 18 -2.374 12.244 -6.052 1.00 0.00 C ATOM 292 O PHE A 18 -1.485 11.603 -5.505 1.00 0.00 O ATOM 293 CB PHE A 18 -3.022 11.478 -8.342 1.00 0.00 C ATOM 294 CG PHE A 18 -2.376 10.202 -8.745 1.00 0.00 C ATOM 295 CD1 PHE A 18 -1.226 9.732 -8.146 1.00 0.00 C ATOM 296 CD2 PHE A 18 -2.964 9.468 -9.746 1.00 0.00 C ATOM 297 CE1 PHE A 18 -0.668 8.531 -8.554 1.00 0.00 C ATOM 298 CE2 PHE A 18 -2.421 8.271 -10.160 1.00 0.00 C ATOM 299 CZ PHE A 18 -1.271 7.800 -9.566 1.00 0.00 C ATOM 0 H PHE A 18 -4.977 12.656 -7.723 1.00 0.00 H new ATOM 0 HA PHE A 18 -3.566 10.535 -6.487 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -3.902 11.637 -8.965 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -2.334 12.299 -8.546 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -0.759 10.302 -7.356 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -3.865 9.834 -10.215 1.00 0.00 H new ATOM 0 HE1 PHE A 18 0.234 8.166 -8.085 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -2.895 7.704 -10.947 1.00 0.00 H new ATOM 0 HZ PHE A 18 -0.840 6.863 -9.888 1.00 0.00 H new ATOM 309 N ARG A 19 -2.491 13.570 -5.945 1.00 0.00 N ATOM 310 CA ARG A 19 -1.556 14.365 -5.157 1.00 0.00 C ATOM 311 C ARG A 19 -1.956 14.329 -3.686 1.00 0.00 C ATOM 312 O ARG A 19 -1.218 13.812 -2.841 1.00 0.00 O ATOM 313 CB ARG A 19 -1.536 15.815 -5.647 1.00 0.00 C ATOM 314 CG ARG A 19 -0.392 16.123 -6.601 1.00 0.00 C ATOM 315 CD ARG A 19 0.140 17.531 -6.390 1.00 0.00 C ATOM 316 NE ARG A 19 -0.787 18.548 -6.880 1.00 0.00 N ATOM 317 CZ ARG A 19 -0.649 19.852 -6.651 1.00 0.00 C ATOM 318 NH1 ARG A 19 0.378 20.302 -5.939 1.00 0.00 N ATOM 319 NH2 ARG A 19 -1.537 20.708 -7.135 1.00 0.00 N ATOM 0 H ARG A 19 -3.227 14.113 -6.397 1.00 0.00 H new ATOM 0 HA ARG A 19 -0.559 13.941 -5.274 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -2.481 16.034 -6.144 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -1.468 16.479 -4.786 1.00 0.00 H new ATOM 0 HG2 ARG A 19 0.412 15.402 -6.452 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -0.734 16.012 -7.630 1.00 0.00 H new ATOM 0 HD2 ARG A 19 0.326 17.692 -5.328 1.00 0.00 H new ATOM 0 HD3 ARG A 19 1.097 17.637 -6.901 1.00 0.00 H new ATOM 0 HE ARG A 19 -1.588 18.240 -7.431 1.00 0.00 H new ATOM 0 HH11 ARG A 19 1.065 19.647 -5.565 1.00 0.00 H new ATOM 0 HH12 ARG A 19 0.480 21.302 -5.766 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -2.327 20.368 -7.683 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -1.431 21.707 -6.959 1.00 0.00 H new ATOM 333 N LYS A 20 -3.146 14.860 -3.384 1.00 0.00 N ATOM 334 CA LYS A 20 -3.643 14.865 -2.010 1.00 0.00 C ATOM 335 C LYS A 20 -3.506 13.472 -1.408 1.00 0.00 C ATOM 336 O LYS A 20 -3.312 13.320 -0.203 1.00 0.00 O ATOM 337 CB LYS A 20 -5.094 15.344 -1.941 1.00 0.00 C ATOM 338 CG LYS A 20 -5.999 14.721 -2.986 1.00 0.00 C ATOM 339 CD LYS A 20 -6.954 15.747 -3.585 1.00 0.00 C ATOM 340 CE LYS A 20 -8.397 15.265 -3.542 1.00 0.00 C ATOM 341 NZ LYS A 20 -9.295 16.259 -2.893 1.00 0.00 N ATOM 0 H LYS A 20 -3.774 15.286 -4.066 1.00 0.00 H new ATOM 0 HA LYS A 20 -3.042 15.566 -1.430 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -5.493 15.122 -0.951 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -5.114 16.428 -2.057 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -5.393 14.282 -3.778 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -6.571 13.910 -2.536 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -6.868 16.687 -3.039 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -6.669 15.951 -4.617 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -8.745 15.069 -4.556 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -8.448 14.321 -3.000 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -10.268 15.893 -2.884 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -8.979 16.427 -1.917 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -9.266 17.152 -3.425 1.00 0.00 H new ATOM 355 N LEU A 21 -3.571 12.455 -2.268 1.00 0.00 N ATOM 356 CA LEU A 21 -3.410 11.080 -1.819 1.00 0.00 C ATOM 357 C LEU A 21 -1.932 10.708 -1.858 1.00 0.00 C ATOM 358 O LEU A 21 -1.436 10.021 -0.966 1.00 0.00 O ATOM 359 CB LEU A 21 -4.221 10.109 -2.687 1.00 0.00 C ATOM 360 CG LEU A 21 -5.743 10.145 -2.491 1.00 0.00 C ATOM 361 CD1 LEU A 21 -6.342 8.774 -2.762 1.00 0.00 C ATOM 362 CD2 LEU A 21 -6.111 10.609 -1.087 1.00 0.00 C ATOM 0 H LEU A 21 -3.733 12.560 -3.270 1.00 0.00 H new ATOM 0 HA LEU A 21 -3.785 11.003 -0.798 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -4.004 10.320 -3.734 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -3.872 9.096 -2.487 1.00 0.00 H new ATOM 0 HG LEU A 21 -6.154 10.862 -3.202 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -7.422 8.814 -2.619 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -6.122 8.477 -3.788 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -5.912 8.046 -2.074 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -7.196 10.623 -0.981 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -5.684 9.925 -0.354 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -5.717 11.611 -0.920 1.00 0.00 H new ATOM 374 N SER A 22 -1.221 11.203 -2.879 1.00 0.00 N ATOM 375 CA SER A 22 0.216 10.950 -3.010 1.00 0.00 C ATOM 376 C SER A 22 0.956 11.372 -1.744 1.00 0.00 C ATOM 377 O SER A 22 2.115 11.015 -1.544 1.00 0.00 O ATOM 378 CB SER A 22 0.797 11.698 -4.211 1.00 0.00 C ATOM 379 OG SER A 22 0.829 10.873 -5.366 1.00 0.00 O ATOM 0 H SER A 22 -1.617 11.778 -3.622 1.00 0.00 H new ATOM 0 HA SER A 22 0.349 9.879 -3.163 1.00 0.00 H new ATOM 0 HB2 SER A 22 0.199 12.587 -4.413 1.00 0.00 H new ATOM 0 HB3 SER A 22 1.806 12.039 -3.977 1.00 0.00 H new ATOM 0 HG SER A 22 1.700 10.960 -5.806 1.00 0.00 H new ATOM 385 N ARG A 23 0.282 12.142 -0.897 1.00 0.00 N ATOM 386 CA ARG A 23 0.877 12.613 0.342 1.00 0.00 C ATOM 387 C ARG A 23 0.437 11.732 1.505 1.00 0.00 C ATOM 388 O ARG A 23 -0.094 10.637 1.297 1.00 0.00 O ATOM 389 CB ARG A 23 0.470 14.066 0.597 1.00 0.00 C ATOM 390 CG ARG A 23 0.445 14.920 -0.662 1.00 0.00 C ATOM 391 CD ARG A 23 1.723 15.731 -0.815 1.00 0.00 C ATOM 392 NE ARG A 23 1.488 17.162 -0.633 1.00 0.00 N ATOM 393 CZ ARG A 23 0.878 17.933 -1.531 1.00 0.00 C ATOM 394 NH1 ARG A 23 0.439 17.415 -2.672 1.00 0.00 N ATOM 395 NH2 ARG A 23 0.706 19.225 -1.287 1.00 0.00 N ATOM 0 H ARG A 23 -0.678 12.452 -1.049 1.00 0.00 H new ATOM 0 HA ARG A 23 1.962 12.560 0.255 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -0.518 14.083 1.057 1.00 0.00 H new ATOM 0 HB3 ARG A 23 1.163 14.509 1.313 1.00 0.00 H new ATOM 0 HG2 ARG A 23 0.313 14.279 -1.534 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -0.412 15.593 -0.629 1.00 0.00 H new ATOM 0 HD2 ARG A 23 2.459 15.389 -0.087 1.00 0.00 H new ATOM 0 HD3 ARG A 23 2.147 15.556 -1.804 1.00 0.00 H new ATOM 0 HE ARG A 23 1.810 17.595 0.232 1.00 0.00 H new ATOM 0 HH11 ARG A 23 0.568 16.422 -2.864 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -0.028 18.010 -3.356 1.00 0.00 H new ATOM 0 HH21 ARG A 23 1.041 19.628 -0.412 1.00 0.00 H new ATOM 0 HH22 ARG A 23 0.239 19.816 -1.975 1.00 0.00 H new ATOM 409 N GLU A 24 0.679 12.199 2.723 1.00 0.00 N ATOM 410 CA GLU A 24 0.322 11.436 3.917 1.00 0.00 C ATOM 411 C GLU A 24 -0.858 12.062 4.654 1.00 0.00 C ATOM 412 O GLU A 24 -0.836 13.245 4.996 1.00 0.00 O ATOM 413 CB GLU A 24 1.525 11.335 4.859 1.00 0.00 C ATOM 414 CG GLU A 24 2.832 11.011 4.151 1.00 0.00 C ATOM 415 CD GLU A 24 3.956 11.953 4.537 1.00 0.00 C ATOM 416 OE1 GLU A 24 4.400 11.899 5.703 1.00 0.00 O ATOM 417 OE2 GLU A 24 4.391 12.743 3.674 1.00 0.00 O ATOM 0 H GLU A 24 1.120 13.099 2.912 1.00 0.00 H new ATOM 0 HA GLU A 24 0.027 10.438 3.593 1.00 0.00 H new ATOM 0 HB2 GLU A 24 1.636 12.278 5.394 1.00 0.00 H new ATOM 0 HB3 GLU A 24 1.327 10.566 5.606 1.00 0.00 H new ATOM 0 HG2 GLU A 24 3.124 9.988 4.387 1.00 0.00 H new ATOM 0 HG3 GLU A 24 2.678 11.058 3.073 1.00 0.00 H new ATOM 424 N CYS A 25 -1.885 11.253 4.905 1.00 0.00 N ATOM 425 CA CYS A 25 -3.073 11.717 5.614 1.00 0.00 C ATOM 426 C CYS A 25 -3.728 10.585 6.401 1.00 0.00 C ATOM 427 O CYS A 25 -3.427 9.410 6.196 1.00 0.00 O ATOM 428 CB CYS A 25 -4.077 12.364 4.649 1.00 0.00 C ATOM 429 SG CYS A 25 -4.032 11.716 2.962 1.00 0.00 S ATOM 0 H CYS A 25 -1.917 10.272 4.627 1.00 0.00 H new ATOM 0 HA CYS A 25 -2.753 12.477 6.327 1.00 0.00 H new ATOM 0 HB2 CYS A 25 -5.082 12.229 5.048 1.00 0.00 H new ATOM 0 HB3 CYS A 25 -3.888 13.437 4.616 1.00 0.00 H new ATOM 0 HG CYS A 25 -4.688 10.595 2.910 1.00 0.00 H new ATOM 435 N GLU A 26 -4.605 10.965 7.325 1.00 0.00 N ATOM 436 CA GLU A 26 -5.298 10.012 8.189 1.00 0.00 C ATOM 437 C GLU A 26 -5.953 8.873 7.411 1.00 0.00 C ATOM 438 O GLU A 26 -6.554 9.079 6.356 1.00 0.00 O ATOM 439 CB GLU A 26 -6.360 10.735 9.022 1.00 0.00 C ATOM 440 CG GLU A 26 -5.881 12.046 9.624 1.00 0.00 C ATOM 441 CD GLU A 26 -6.444 12.291 11.011 1.00 0.00 C ATOM 442 OE1 GLU A 26 -6.429 11.350 11.832 1.00 0.00 O ATOM 443 OE2 GLU A 26 -6.899 13.423 11.275 1.00 0.00 O ATOM 0 H GLU A 26 -4.856 11.939 7.497 1.00 0.00 H new ATOM 0 HA GLU A 26 -4.542 9.571 8.838 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -7.229 10.931 8.394 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -6.689 10.076 9.825 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -4.792 12.043 9.673 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -6.168 12.869 8.969 1.00 0.00 H new ATOM 450 N ILE A 27 -5.847 7.670 7.970 1.00 0.00 N ATOM 451 CA ILE A 27 -6.441 6.475 7.377 1.00 0.00 C ATOM 452 C ILE A 27 -7.128 5.630 8.453 1.00 0.00 C ATOM 453 O ILE A 27 -6.864 5.798 9.643 1.00 0.00 O ATOM 454 CB ILE A 27 -5.396 5.609 6.637 1.00 0.00 C ATOM 455 CG1 ILE A 27 -4.426 4.950 7.624 1.00 0.00 C ATOM 456 CG2 ILE A 27 -4.635 6.452 5.626 1.00 0.00 C ATOM 457 CD1 ILE A 27 -3.488 3.949 6.978 1.00 0.00 C ATOM 0 H ILE A 27 -5.349 7.496 8.843 1.00 0.00 H new ATOM 0 HA ILE A 27 -7.175 6.815 6.647 1.00 0.00 H new ATOM 0 HB ILE A 27 -5.925 4.817 6.107 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -3.836 5.725 8.113 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -4.999 4.447 8.403 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -3.902 5.830 5.112 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -5.333 6.866 4.899 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -4.123 7.265 6.142 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -2.831 3.523 7.737 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -4.070 3.153 6.513 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -2.888 4.450 6.219 1.00 0.00 H new ATOM 469 N LYS A 28 -8.006 4.725 8.030 1.00 0.00 N ATOM 470 CA LYS A 28 -8.723 3.862 8.966 1.00 0.00 C ATOM 471 C LYS A 28 -9.110 2.546 8.299 1.00 0.00 C ATOM 472 O LYS A 28 -9.311 2.494 7.087 1.00 0.00 O ATOM 473 CB LYS A 28 -9.975 4.568 9.490 1.00 0.00 C ATOM 474 CG LYS A 28 -9.718 5.990 9.961 1.00 0.00 C ATOM 475 CD LYS A 28 -10.970 6.614 10.558 1.00 0.00 C ATOM 476 CE LYS A 28 -10.647 7.441 11.792 1.00 0.00 C ATOM 477 NZ LYS A 28 -11.781 7.465 12.757 1.00 0.00 N ATOM 0 H LYS A 28 -8.238 4.570 7.049 1.00 0.00 H new ATOM 0 HA LYS A 28 -8.060 3.646 9.804 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -10.729 4.585 8.703 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -10.390 3.990 10.316 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -8.920 5.990 10.704 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -9.373 6.595 9.123 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -11.454 7.245 9.813 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -11.679 5.829 10.820 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -9.763 7.033 12.281 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -10.404 8.460 11.492 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -11.521 8.039 13.584 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -12.618 7.878 12.299 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -11.997 6.495 13.063 1.00 0.00 H new ATOM 491 N TYR A 29 -9.209 1.481 9.092 1.00 0.00 N ATOM 492 CA TYR A 29 -9.566 0.172 8.556 1.00 0.00 C ATOM 493 C TYR A 29 -11.074 0.021 8.385 1.00 0.00 C ATOM 494 O TYR A 29 -11.854 0.456 9.231 1.00 0.00 O ATOM 495 CB TYR A 29 -9.030 -0.943 9.450 1.00 0.00 C ATOM 496 CG TYR A 29 -8.596 -2.154 8.662 1.00 0.00 C ATOM 497 CD1 TYR A 29 -9.529 -3.070 8.198 1.00 0.00 C ATOM 498 CD2 TYR A 29 -7.257 -2.366 8.359 1.00 0.00 C ATOM 499 CE1 TYR A 29 -9.138 -4.169 7.456 1.00 0.00 C ATOM 500 CE2 TYR A 29 -6.858 -3.463 7.621 1.00 0.00 C ATOM 501 CZ TYR A 29 -7.802 -4.361 7.172 1.00 0.00 C ATOM 502 OH TYR A 29 -7.410 -5.452 6.432 1.00 0.00 O ATOM 0 H TYR A 29 -9.048 1.499 10.099 1.00 0.00 H new ATOM 0 HA TYR A 29 -9.106 0.093 7.571 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -8.186 -0.567 10.028 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -9.800 -1.234 10.164 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -10.576 -2.922 8.420 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -6.516 -1.661 8.706 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -9.875 -4.874 7.100 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -5.813 -3.616 7.397 1.00 0.00 H new ATOM 0 HH TYR A 29 -8.199 -5.974 6.176 1.00 0.00 H new ATOM 512 N THR A 30 -11.472 -0.607 7.279 1.00 0.00 N ATOM 513 CA THR A 30 -12.884 -0.828 6.992 1.00 0.00 C ATOM 514 C THR A 30 -13.067 -1.750 5.782 1.00 0.00 C ATOM 515 O THR A 30 -13.892 -1.484 4.907 1.00 0.00 O ATOM 516 CB THR A 30 -13.596 0.511 6.758 1.00 0.00 C ATOM 517 OG1 THR A 30 -14.996 0.364 6.905 1.00 0.00 O ATOM 518 CG2 THR A 30 -13.342 1.110 5.391 1.00 0.00 C ATOM 0 H THR A 30 -10.835 -0.970 6.570 1.00 0.00 H new ATOM 0 HA THR A 30 -13.331 -1.318 7.857 1.00 0.00 H new ATOM 0 HB THR A 30 -13.181 1.185 7.508 1.00 0.00 H new ATOM 0 HG1 THR A 30 -15.312 -0.357 6.322 1.00 0.00 H new ATOM 0 HG21 THR A 30 -13.879 2.054 5.302 1.00 0.00 H new ATOM 0 HG22 THR A 30 -12.274 1.286 5.264 1.00 0.00 H new ATOM 0 HG23 THR A 30 -13.690 0.421 4.621 1.00 0.00 H new ATOM 526 N GLY A 31 -12.294 -2.833 5.740 1.00 0.00 N ATOM 527 CA GLY A 31 -12.390 -3.771 4.633 1.00 0.00 C ATOM 528 C GLY A 31 -13.290 -4.954 4.940 1.00 0.00 C ATOM 529 O GLY A 31 -14.454 -4.978 4.540 1.00 0.00 O ATOM 0 H GLY A 31 -11.604 -3.078 6.451 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -12.769 -3.250 3.754 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -11.393 -4.134 4.383 1.00 0.00 H new ATOM 533 N PHE A 32 -12.753 -5.930 5.665 1.00 0.00 N ATOM 534 CA PHE A 32 -13.516 -7.118 6.044 1.00 0.00 C ATOM 535 C PHE A 32 -13.873 -7.054 7.521 1.00 0.00 C ATOM 536 O PHE A 32 -14.074 -8.076 8.176 1.00 0.00 O ATOM 537 CB PHE A 32 -12.722 -8.400 5.756 1.00 0.00 C ATOM 538 CG PHE A 32 -11.230 -8.231 5.847 1.00 0.00 C ATOM 539 CD1 PHE A 32 -10.503 -7.809 4.746 1.00 0.00 C ATOM 540 CD2 PHE A 32 -10.554 -8.500 7.029 1.00 0.00 C ATOM 541 CE1 PHE A 32 -9.132 -7.655 4.819 1.00 0.00 C ATOM 542 CE2 PHE A 32 -9.180 -8.347 7.108 1.00 0.00 C ATOM 543 CZ PHE A 32 -8.469 -7.925 6.001 1.00 0.00 C ATOM 0 H PHE A 32 -11.791 -5.923 6.003 1.00 0.00 H new ATOM 0 HA PHE A 32 -14.429 -7.140 5.449 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -13.033 -9.173 6.459 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -12.977 -8.756 4.758 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -11.015 -7.598 3.819 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -11.105 -8.832 7.896 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -8.579 -7.324 3.953 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -8.665 -8.557 8.034 1.00 0.00 H new ATOM 0 HZ PHE A 32 -7.397 -7.806 6.059 1.00 0.00 H new ATOM 553 N ARG A 33 -13.925 -5.834 8.035 1.00 0.00 N ATOM 554 CA ARG A 33 -14.227 -5.592 9.434 1.00 0.00 C ATOM 555 C ARG A 33 -15.720 -5.461 9.687 1.00 0.00 C ATOM 556 O ARG A 33 -16.162 -5.431 10.835 1.00 0.00 O ATOM 557 CB ARG A 33 -13.509 -4.316 9.874 1.00 0.00 C ATOM 558 CG ARG A 33 -14.425 -3.105 10.071 1.00 0.00 C ATOM 559 CD ARG A 33 -15.117 -2.686 8.780 1.00 0.00 C ATOM 560 NE ARG A 33 -15.565 -1.296 8.832 1.00 0.00 N ATOM 561 CZ ARG A 33 -16.611 -0.882 9.545 1.00 0.00 C ATOM 562 NH1 ARG A 33 -17.317 -1.746 10.263 1.00 0.00 N ATOM 563 NH2 ARG A 33 -16.951 0.400 9.538 1.00 0.00 N ATOM 0 H ARG A 33 -13.759 -4.986 7.493 1.00 0.00 H new ATOM 0 HA ARG A 33 -13.881 -6.448 10.013 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -12.984 -4.514 10.809 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -12.752 -4.066 9.130 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -15.177 -3.340 10.824 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -13.840 -2.269 10.455 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -14.433 -2.816 7.942 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -15.972 -3.337 8.598 1.00 0.00 H new ATOM 0 HE ARG A 33 -15.047 -0.603 8.291 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -17.060 -2.733 10.271 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -18.117 -1.423 10.807 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -16.412 1.068 8.987 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -17.752 0.718 10.084 1.00 0.00 H new ATOM 577 N ASP A 34 -16.492 -5.350 8.619 1.00 0.00 N ATOM 578 CA ASP A 34 -17.928 -5.182 8.745 1.00 0.00 C ATOM 579 C ASP A 34 -18.559 -6.265 9.620 1.00 0.00 C ATOM 580 O ASP A 34 -19.732 -6.165 9.982 1.00 0.00 O ATOM 581 CB ASP A 34 -18.586 -5.174 7.364 1.00 0.00 C ATOM 582 CG ASP A 34 -19.935 -4.483 7.370 1.00 0.00 C ATOM 583 OD1 ASP A 34 -20.153 -3.612 8.238 1.00 0.00 O ATOM 584 OD2 ASP A 34 -20.775 -4.813 6.506 1.00 0.00 O ATOM 0 H ASP A 34 -16.149 -5.373 7.659 1.00 0.00 H new ATOM 0 HA ASP A 34 -18.100 -4.223 9.234 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -17.928 -4.673 6.654 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -18.708 -6.200 7.017 1.00 0.00 H new ATOM 589 N ARG A 35 -17.791 -7.298 9.964 1.00 0.00 N ATOM 590 CA ARG A 35 -18.311 -8.371 10.797 1.00 0.00 C ATOM 591 C ARG A 35 -17.459 -8.569 12.059 1.00 0.00 C ATOM 592 O ARG A 35 -17.940 -8.323 13.165 1.00 0.00 O ATOM 593 CB ARG A 35 -18.442 -9.679 9.997 1.00 0.00 C ATOM 594 CG ARG A 35 -18.548 -9.477 8.488 1.00 0.00 C ATOM 595 CD ARG A 35 -17.214 -9.089 7.854 1.00 0.00 C ATOM 596 NE ARG A 35 -16.621 -10.197 7.108 1.00 0.00 N ATOM 597 CZ ARG A 35 -16.974 -10.532 5.869 1.00 0.00 C ATOM 598 NH1 ARG A 35 -17.921 -9.851 5.233 1.00 0.00 N ATOM 599 NH2 ARG A 35 -16.381 -11.551 5.261 1.00 0.00 N ATOM 0 H ARG A 35 -16.818 -7.411 9.680 1.00 0.00 H new ATOM 0 HA ARG A 35 -19.309 -8.080 11.124 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -17.579 -10.310 10.209 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -19.324 -10.218 10.344 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -18.912 -10.395 8.027 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -19.285 -8.701 8.280 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -17.363 -8.241 7.186 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -16.523 -8.765 8.632 1.00 0.00 H new ATOM 0 HE ARG A 35 -15.893 -10.747 7.564 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -18.382 -9.067 5.694 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -18.187 -10.113 4.284 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -15.653 -12.079 5.743 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -16.653 -11.806 4.312 1.00 0.00 H new ATOM 613 N PRO A 36 -16.194 -9.029 11.937 1.00 0.00 N ATOM 614 CA PRO A 36 -15.326 -9.261 13.078 1.00 0.00 C ATOM 615 C PRO A 36 -14.245 -8.195 13.240 1.00 0.00 C ATOM 616 O PRO A 36 -13.092 -8.527 13.480 1.00 0.00 O ATOM 617 CB PRO A 36 -14.685 -10.580 12.669 1.00 0.00 C ATOM 618 CG PRO A 36 -14.500 -10.452 11.184 1.00 0.00 C ATOM 619 CD PRO A 36 -15.484 -9.397 10.705 1.00 0.00 C ATOM 0 HA PRO A 36 -15.859 -9.253 14.029 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -13.733 -10.735 13.177 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -15.323 -11.428 12.920 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -13.477 -10.162 10.946 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -14.684 -11.405 10.688 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -14.975 -8.542 10.261 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -16.163 -9.791 9.949 1.00 0.00 H new ATOM 627 N HIS A 37 -14.610 -6.921 13.098 1.00 0.00 N ATOM 628 CA HIS A 37 -13.641 -5.822 13.222 1.00 0.00 C ATOM 629 C HIS A 37 -12.665 -6.053 14.383 1.00 0.00 C ATOM 630 O HIS A 37 -11.448 -5.949 14.212 1.00 0.00 O ATOM 631 CB HIS A 37 -14.370 -4.486 13.398 1.00 0.00 C ATOM 632 CG HIS A 37 -13.456 -3.299 13.511 1.00 0.00 C ATOM 633 ND1 HIS A 37 -13.270 -2.611 14.692 1.00 0.00 N ATOM 634 CD2 HIS A 37 -12.687 -2.663 12.585 1.00 0.00 C ATOM 635 CE1 HIS A 37 -12.433 -1.609 14.491 1.00 0.00 C ATOM 636 NE2 HIS A 37 -12.065 -1.620 13.224 1.00 0.00 N ATOM 0 H HIS A 37 -15.564 -6.621 12.898 1.00 0.00 H new ATOM 0 HA HIS A 37 -13.058 -5.792 12.302 1.00 0.00 H new ATOM 0 HB2 HIS A 37 -15.040 -4.336 12.552 1.00 0.00 H new ATOM 0 HB3 HIS A 37 -14.992 -4.539 14.292 1.00 0.00 H new ATOM 0 HD1 HIS A 37 -13.711 -2.840 15.583 1.00 0.00 H new ATOM 0 HD2 HIS A 37 -12.586 -2.929 11.543 1.00 0.00 H new ATOM 0 HE1 HIS A 37 -12.105 -0.901 15.237 1.00 0.00 H new ATOM 645 N GLU A 38 -13.201 -6.370 15.561 1.00 0.00 N ATOM 646 CA GLU A 38 -12.367 -6.616 16.737 1.00 0.00 C ATOM 647 C GLU A 38 -11.385 -7.753 16.483 1.00 0.00 C ATOM 648 O GLU A 38 -10.249 -7.722 16.956 1.00 0.00 O ATOM 649 CB GLU A 38 -13.237 -6.936 17.955 1.00 0.00 C ATOM 650 CG GLU A 38 -14.078 -5.761 18.426 1.00 0.00 C ATOM 651 CD GLU A 38 -14.813 -6.054 19.719 1.00 0.00 C ATOM 652 OE1 GLU A 38 -15.779 -6.846 19.686 1.00 0.00 O ATOM 653 OE2 GLU A 38 -14.425 -5.491 20.765 1.00 0.00 O ATOM 0 H GLU A 38 -14.203 -6.462 15.726 1.00 0.00 H new ATOM 0 HA GLU A 38 -11.797 -5.709 16.939 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -13.896 -7.770 17.712 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -12.596 -7.265 18.773 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -13.436 -4.892 18.566 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -14.800 -5.502 17.652 1.00 0.00 H new ATOM 660 N GLU A 39 -11.816 -8.732 15.701 1.00 0.00 N ATOM 661 CA GLU A 39 -10.962 -9.856 15.341 1.00 0.00 C ATOM 662 C GLU A 39 -10.133 -9.444 14.143 1.00 0.00 C ATOM 663 O GLU A 39 -8.985 -9.857 13.974 1.00 0.00 O ATOM 664 CB GLU A 39 -11.799 -11.092 15.006 1.00 0.00 C ATOM 665 CG GLU A 39 -11.212 -12.389 15.539 1.00 0.00 C ATOM 666 CD GLU A 39 -10.200 -13.004 14.592 1.00 0.00 C ATOM 667 OE1 GLU A 39 -9.013 -12.618 14.659 1.00 0.00 O ATOM 668 OE2 GLU A 39 -10.594 -13.869 13.784 1.00 0.00 O ATOM 0 H GLU A 39 -12.754 -8.771 15.303 1.00 0.00 H new ATOM 0 HA GLU A 39 -10.317 -10.115 16.181 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -12.802 -10.963 15.414 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -11.902 -11.168 13.924 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -10.736 -12.200 16.501 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -12.017 -13.102 15.717 1.00 0.00 H new ATOM 675 N ARG A 40 -10.743 -8.589 13.332 1.00 0.00 N ATOM 676 CA ARG A 40 -10.116 -8.048 12.152 1.00 0.00 C ATOM 677 C ARG A 40 -8.827 -7.341 12.537 1.00 0.00 C ATOM 678 O ARG A 40 -7.910 -7.210 11.726 1.00 0.00 O ATOM 679 CB ARG A 40 -11.082 -7.087 11.469 1.00 0.00 C ATOM 680 CG ARG A 40 -11.082 -7.205 9.955 1.00 0.00 C ATOM 681 CD ARG A 40 -10.350 -6.044 9.302 1.00 0.00 C ATOM 682 NE ARG A 40 -9.221 -5.574 10.107 1.00 0.00 N ATOM 683 CZ ARG A 40 -9.226 -4.444 10.815 1.00 0.00 C ATOM 684 NH1 ARG A 40 -10.299 -3.662 10.834 1.00 0.00 N ATOM 685 NH2 ARG A 40 -8.154 -4.097 11.512 1.00 0.00 N ATOM 0 H ARG A 40 -11.694 -8.254 13.484 1.00 0.00 H new ATOM 0 HA ARG A 40 -9.870 -8.851 11.457 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -12.090 -7.272 11.840 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -10.823 -6.065 11.746 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -10.610 -8.143 9.663 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -12.109 -7.238 9.592 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -9.990 -6.351 8.320 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -11.047 -5.221 9.143 1.00 0.00 H new ATOM 0 HE ARG A 40 -8.377 -6.147 10.128 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -11.130 -3.924 10.304 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -10.292 -2.800 11.379 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -7.327 -4.694 11.506 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -8.156 -3.233 12.054 1.00 0.00 H new ATOM 699 N GLN A 41 -8.754 -6.908 13.798 1.00 0.00 N ATOM 700 CA GLN A 41 -7.556 -6.241 14.294 1.00 0.00 C ATOM 701 C GLN A 41 -6.363 -7.173 14.128 1.00 0.00 C ATOM 702 O GLN A 41 -5.298 -6.773 13.653 1.00 0.00 O ATOM 703 CB GLN A 41 -7.727 -5.833 15.764 1.00 0.00 C ATOM 704 CG GLN A 41 -7.565 -6.978 16.753 1.00 0.00 C ATOM 705 CD GLN A 41 -8.042 -6.615 18.147 1.00 0.00 C ATOM 706 OE1 GLN A 41 -8.271 -5.445 18.453 1.00 0.00 O ATOM 707 NE2 GLN A 41 -8.195 -7.621 19.001 1.00 0.00 N ATOM 0 H GLN A 41 -9.502 -7.007 14.484 1.00 0.00 H new ATOM 0 HA GLN A 41 -7.387 -5.331 13.718 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -6.999 -5.057 16.001 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -8.715 -5.393 15.894 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -8.123 -7.844 16.396 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -6.516 -7.270 16.796 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -7.994 -8.576 18.705 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -8.514 -7.438 19.952 1.00 0.00 H new ATOM 716 N THR A 42 -6.573 -8.436 14.489 1.00 0.00 N ATOM 717 CA THR A 42 -5.546 -9.453 14.351 1.00 0.00 C ATOM 718 C THR A 42 -5.529 -9.951 12.918 1.00 0.00 C ATOM 719 O THR A 42 -4.476 -10.287 12.380 1.00 0.00 O ATOM 720 CB THR A 42 -5.800 -10.613 15.315 1.00 0.00 C ATOM 721 OG1 THR A 42 -5.842 -10.153 16.654 1.00 0.00 O ATOM 722 CG2 THR A 42 -4.746 -11.697 15.237 1.00 0.00 C ATOM 0 H THR A 42 -7.451 -8.776 14.881 1.00 0.00 H new ATOM 0 HA THR A 42 -4.577 -9.019 14.597 1.00 0.00 H new ATOM 0 HB THR A 42 -6.758 -11.035 15.012 1.00 0.00 H new ATOM 0 HG1 THR A 42 -6.007 -10.909 17.255 1.00 0.00 H new ATOM 0 HG21 THR A 42 -4.986 -12.489 15.946 1.00 0.00 H new ATOM 0 HG22 THR A 42 -4.721 -12.108 14.228 1.00 0.00 H new ATOM 0 HG23 THR A 42 -3.771 -11.275 15.481 1.00 0.00 H new ATOM 730 N ARG A 43 -6.704 -9.968 12.290 1.00 0.00 N ATOM 731 CA ARG A 43 -6.802 -10.393 10.903 1.00 0.00 C ATOM 732 C ARG A 43 -5.977 -9.458 10.026 1.00 0.00 C ATOM 733 O ARG A 43 -5.429 -9.865 9.003 1.00 0.00 O ATOM 734 CB ARG A 43 -8.262 -10.413 10.453 1.00 0.00 C ATOM 735 CG ARG A 43 -8.763 -11.799 10.086 1.00 0.00 C ATOM 736 CD ARG A 43 -9.974 -12.194 10.918 1.00 0.00 C ATOM 737 NE ARG A 43 -11.230 -11.857 10.252 1.00 0.00 N ATOM 738 CZ ARG A 43 -11.802 -12.616 9.319 1.00 0.00 C ATOM 739 NH1 ARG A 43 -11.234 -13.751 8.935 1.00 0.00 N ATOM 740 NH2 ARG A 43 -12.949 -12.236 8.769 1.00 0.00 N ATOM 0 H ARG A 43 -7.589 -9.695 12.717 1.00 0.00 H new ATOM 0 HA ARG A 43 -6.409 -11.405 10.808 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -8.886 -10.009 11.251 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -8.378 -9.754 9.593 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -9.024 -11.824 9.028 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -7.965 -12.526 10.235 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -9.944 -13.266 11.115 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -9.930 -11.691 11.884 1.00 0.00 H new ATOM 0 HE ARG A 43 -11.696 -10.989 10.517 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -10.353 -14.048 9.355 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -11.678 -14.327 8.220 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -13.391 -11.364 9.061 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -13.389 -12.816 8.054 1.00 0.00 H new ATOM 754 N PHE A 44 -5.868 -8.202 10.462 1.00 0.00 N ATOM 755 CA PHE A 44 -5.085 -7.209 9.749 1.00 0.00 C ATOM 756 C PHE A 44 -3.603 -7.446 10.024 1.00 0.00 C ATOM 757 O PHE A 44 -2.803 -7.590 9.099 1.00 0.00 O ATOM 758 CB PHE A 44 -5.506 -5.807 10.191 1.00 0.00 C ATOM 759 CG PHE A 44 -4.369 -4.839 10.274 1.00 0.00 C ATOM 760 CD1 PHE A 44 -3.824 -4.293 9.127 1.00 0.00 C ATOM 761 CD2 PHE A 44 -3.843 -4.491 11.500 1.00 0.00 C ATOM 762 CE1 PHE A 44 -2.767 -3.411 9.202 1.00 0.00 C ATOM 763 CE2 PHE A 44 -2.786 -3.605 11.588 1.00 0.00 C ATOM 764 CZ PHE A 44 -2.247 -3.064 10.435 1.00 0.00 C ATOM 0 H PHE A 44 -6.316 -7.854 11.309 1.00 0.00 H new ATOM 0 HA PHE A 44 -5.260 -7.296 8.677 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -6.249 -5.423 9.492 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -5.989 -5.872 11.166 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -4.230 -4.560 8.163 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -4.261 -4.915 12.401 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -2.346 -2.992 8.300 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -2.383 -3.336 12.553 1.00 0.00 H new ATOM 0 HZ PHE A 44 -1.421 -2.371 10.498 1.00 0.00 H new ATOM 774 N GLN A 45 -3.250 -7.511 11.309 1.00 0.00 N ATOM 775 CA GLN A 45 -1.869 -7.760 11.712 1.00 0.00 C ATOM 776 C GLN A 45 -1.400 -9.096 11.144 1.00 0.00 C ATOM 777 O GLN A 45 -0.225 -9.278 10.828 1.00 0.00 O ATOM 778 CB GLN A 45 -1.750 -7.765 13.239 1.00 0.00 C ATOM 779 CG GLN A 45 -1.008 -6.560 13.796 1.00 0.00 C ATOM 780 CD GLN A 45 0.178 -6.951 14.656 1.00 0.00 C ATOM 781 OE1 GLN A 45 0.141 -7.956 15.364 1.00 0.00 O ATOM 782 NE2 GLN A 45 1.239 -6.154 14.598 1.00 0.00 N ATOM 0 H GLN A 45 -3.901 -7.395 12.085 1.00 0.00 H new ATOM 0 HA GLN A 45 -1.238 -6.963 11.320 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -2.749 -7.798 13.673 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -1.236 -8.674 13.552 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -0.664 -5.937 12.971 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -1.696 -5.955 14.386 1.00 0.00 H new ATOM 0 HE21 GLN A 45 1.226 -5.330 13.997 1.00 0.00 H new ATOM 0 HE22 GLN A 45 2.067 -6.366 15.155 1.00 0.00 H new ATOM 791 N ASN A 46 -2.348 -10.015 10.994 1.00 0.00 N ATOM 792 CA ASN A 46 -2.070 -11.333 10.434 1.00 0.00 C ATOM 793 C ASN A 46 -2.017 -11.230 8.918 1.00 0.00 C ATOM 794 O ASN A 46 -1.329 -11.999 8.248 1.00 0.00 O ATOM 795 CB ASN A 46 -3.143 -12.338 10.860 1.00 0.00 C ATOM 796 CG ASN A 46 -2.678 -13.774 10.720 1.00 0.00 C ATOM 797 OD1 ASN A 46 -2.640 -14.322 9.618 1.00 0.00 O ATOM 798 ND2 ASN A 46 -2.321 -14.392 11.840 1.00 0.00 N ATOM 0 H ASN A 46 -3.323 -9.869 11.255 1.00 0.00 H new ATOM 0 HA ASN A 46 -1.109 -11.686 10.809 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -3.423 -12.149 11.896 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -4.038 -12.188 10.256 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -1.999 -15.359 11.808 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -2.368 -13.899 12.732 1.00 0.00 H new ATOM 805 N ALA A 47 -2.721 -10.234 8.392 1.00 0.00 N ATOM 806 CA ALA A 47 -2.734 -9.973 6.968 1.00 0.00 C ATOM 807 C ALA A 47 -1.358 -9.480 6.565 1.00 0.00 C ATOM 808 O ALA A 47 -0.886 -9.735 5.457 1.00 0.00 O ATOM 809 CB ALA A 47 -3.803 -8.947 6.621 1.00 0.00 C ATOM 0 H ALA A 47 -3.293 -9.592 8.941 1.00 0.00 H new ATOM 0 HA ALA A 47 -2.973 -10.886 6.422 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -3.797 -8.764 5.546 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -4.781 -9.325 6.919 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -3.598 -8.015 7.148 1.00 0.00 H new ATOM 815 N CYS A 48 -0.699 -8.805 7.508 1.00 0.00 N ATOM 816 CA CYS A 48 0.651 -8.315 7.281 1.00 0.00 C ATOM 817 C CYS A 48 1.581 -9.505 7.115 1.00 0.00 C ATOM 818 O CYS A 48 2.653 -9.396 6.520 1.00 0.00 O ATOM 819 CB CYS A 48 1.113 -7.438 8.447 1.00 0.00 C ATOM 820 SG CYS A 48 0.697 -5.688 8.265 1.00 0.00 S ATOM 0 H CYS A 48 -1.080 -8.589 8.429 1.00 0.00 H new ATOM 0 HA CYS A 48 0.667 -7.704 6.378 1.00 0.00 H new ATOM 0 HB2 CYS A 48 0.667 -7.813 9.368 1.00 0.00 H new ATOM 0 HB3 CYS A 48 2.193 -7.534 8.554 1.00 0.00 H new ATOM 0 HG CYS A 48 1.690 -4.960 8.683 1.00 0.00 H new ATOM 826 N ARG A 49 1.141 -10.655 7.623 1.00 0.00 N ATOM 827 CA ARG A 49 1.914 -11.882 7.506 1.00 0.00 C ATOM 828 C ARG A 49 1.679 -12.501 6.129 1.00 0.00 C ATOM 829 O ARG A 49 2.510 -13.253 5.621 1.00 0.00 O ATOM 830 CB ARG A 49 1.540 -12.860 8.632 1.00 0.00 C ATOM 831 CG ARG A 49 1.478 -14.320 8.207 1.00 0.00 C ATOM 832 CD ARG A 49 1.355 -15.243 9.407 1.00 0.00 C ATOM 833 NE ARG A 49 0.698 -16.503 9.065 1.00 0.00 N ATOM 834 CZ ARG A 49 0.689 -17.573 9.857 1.00 0.00 C ATOM 835 NH1 ARG A 49 1.302 -17.542 11.034 1.00 0.00 N ATOM 836 NH2 ARG A 49 0.064 -18.677 9.470 1.00 0.00 N ATOM 0 H ARG A 49 0.255 -10.759 8.118 1.00 0.00 H new ATOM 0 HA ARG A 49 2.975 -11.656 7.607 1.00 0.00 H new ATOM 0 HB2 ARG A 49 2.267 -12.760 9.438 1.00 0.00 H new ATOM 0 HB3 ARG A 49 0.571 -12.572 9.039 1.00 0.00 H new ATOM 0 HG2 ARG A 49 0.628 -14.471 7.542 1.00 0.00 H new ATOM 0 HG3 ARG A 49 2.374 -14.574 7.641 1.00 0.00 H new ATOM 0 HD2 ARG A 49 2.347 -15.449 9.809 1.00 0.00 H new ATOM 0 HD3 ARG A 49 0.790 -14.742 10.193 1.00 0.00 H new ATOM 0 HE ARG A 49 0.218 -16.566 8.167 1.00 0.00 H new ATOM 0 HH11 ARG A 49 1.783 -16.695 11.336 1.00 0.00 H new ATOM 0 HH12 ARG A 49 1.292 -18.365 11.636 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -0.409 -18.705 8.567 1.00 0.00 H new ATOM 0 HH22 ARG A 49 0.056 -19.498 10.076 1.00 0.00 H new ATOM 850 N ASP A 50 0.541 -12.159 5.525 1.00 0.00 N ATOM 851 CA ASP A 50 0.190 -12.654 4.200 1.00 0.00 C ATOM 852 C ASP A 50 0.505 -11.605 3.131 1.00 0.00 C ATOM 853 O ASP A 50 0.309 -11.844 1.939 1.00 0.00 O ATOM 854 CB ASP A 50 -1.294 -13.024 4.147 1.00 0.00 C ATOM 855 CG ASP A 50 -1.590 -14.332 4.854 1.00 0.00 C ATOM 856 OD1 ASP A 50 -0.893 -14.644 5.842 1.00 0.00 O ATOM 857 OD2 ASP A 50 -2.520 -15.044 4.420 1.00 0.00 O ATOM 0 H ASP A 50 -0.155 -11.538 5.937 1.00 0.00 H new ATOM 0 HA ASP A 50 0.785 -13.545 4.000 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -1.881 -12.227 4.603 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -1.610 -13.097 3.106 1.00 0.00 H new ATOM 862 N GLY A 51 1.002 -10.446 3.567 1.00 0.00 N ATOM 863 CA GLY A 51 1.348 -9.383 2.640 1.00 0.00 C ATOM 864 C GLY A 51 0.147 -8.812 1.911 1.00 0.00 C ATOM 865 O GLY A 51 0.257 -8.401 0.759 1.00 0.00 O ATOM 0 H GLY A 51 1.170 -10.227 4.549 1.00 0.00 H new ATOM 0 HA2 GLY A 51 1.848 -8.583 3.185 1.00 0.00 H new ATOM 0 HA3 GLY A 51 2.061 -9.765 1.909 1.00 0.00 H new ATOM 869 N ARG A 52 -1.001 -8.788 2.578 1.00 0.00 N ATOM 870 CA ARG A 52 -2.222 -8.261 1.977 1.00 0.00 C ATOM 871 C ARG A 52 -3.180 -7.687 3.010 1.00 0.00 C ATOM 872 O ARG A 52 -3.538 -8.352 3.980 1.00 0.00 O ATOM 873 CB ARG A 52 -2.921 -9.350 1.179 1.00 0.00 C ATOM 874 CG ARG A 52 -2.358 -9.481 -0.215 1.00 0.00 C ATOM 875 CD ARG A 52 -1.791 -10.869 -0.465 1.00 0.00 C ATOM 876 NE ARG A 52 -1.144 -10.967 -1.772 1.00 0.00 N ATOM 877 CZ ARG A 52 -0.920 -12.117 -2.405 1.00 0.00 C ATOM 878 NH1 ARG A 52 -1.285 -13.269 -1.856 1.00 0.00 N ATOM 879 NH2 ARG A 52 -0.329 -12.114 -3.593 1.00 0.00 N ATOM 0 H ARG A 52 -1.113 -9.127 3.534 1.00 0.00 H new ATOM 0 HA ARG A 52 -1.927 -7.445 1.317 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -2.822 -10.302 1.701 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -3.987 -9.129 1.120 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -3.140 -9.271 -0.944 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -1.576 -8.736 -0.363 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -1.070 -11.113 0.316 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -2.592 -11.605 -0.401 1.00 0.00 H new ATOM 0 HE ARG A 52 -0.846 -10.103 -2.226 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -1.740 -13.277 -0.943 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -1.110 -14.146 -2.347 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -0.047 -11.232 -4.020 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -0.157 -12.994 -4.079 1.00 0.00 H new ATOM 893 N SER A 53 -3.614 -6.455 2.773 1.00 0.00 N ATOM 894 CA SER A 53 -4.564 -5.793 3.665 1.00 0.00 C ATOM 895 C SER A 53 -5.533 -4.903 2.898 1.00 0.00 C ATOM 896 O SER A 53 -5.301 -4.551 1.737 1.00 0.00 O ATOM 897 CB SER A 53 -3.845 -4.964 4.724 1.00 0.00 C ATOM 898 OG SER A 53 -3.303 -3.780 4.162 1.00 0.00 O ATOM 0 H SER A 53 -3.325 -5.893 1.972 1.00 0.00 H new ATOM 0 HA SER A 53 -5.132 -6.583 4.156 1.00 0.00 H new ATOM 0 HB2 SER A 53 -4.540 -4.706 5.523 1.00 0.00 H new ATOM 0 HB3 SER A 53 -3.047 -5.555 5.174 1.00 0.00 H new ATOM 0 HG SER A 53 -2.551 -4.010 3.577 1.00 0.00 H new ATOM 904 N GLU A 54 -6.601 -4.513 3.581 1.00 0.00 N ATOM 905 CA GLU A 54 -7.610 -3.632 3.015 1.00 0.00 C ATOM 906 C GLU A 54 -7.797 -2.434 3.936 1.00 0.00 C ATOM 907 O GLU A 54 -8.463 -2.530 4.968 1.00 0.00 O ATOM 908 CB GLU A 54 -8.935 -4.376 2.832 1.00 0.00 C ATOM 909 CG GLU A 54 -9.503 -4.264 1.425 1.00 0.00 C ATOM 910 CD GLU A 54 -9.591 -5.604 0.722 1.00 0.00 C ATOM 911 OE1 GLU A 54 -8.586 -6.345 0.729 1.00 0.00 O ATOM 912 OE2 GLU A 54 -10.666 -5.913 0.165 1.00 0.00 O ATOM 0 H GLU A 54 -6.791 -4.799 4.542 1.00 0.00 H new ATOM 0 HA GLU A 54 -7.280 -3.290 2.034 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -8.788 -5.429 3.074 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -9.664 -3.985 3.542 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -10.496 -3.817 1.473 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -8.879 -3.590 0.838 1.00 0.00 H new ATOM 919 N ILE A 55 -7.178 -1.317 3.578 1.00 0.00 N ATOM 920 CA ILE A 55 -7.248 -0.115 4.397 1.00 0.00 C ATOM 921 C ILE A 55 -8.068 0.982 3.733 1.00 0.00 C ATOM 922 O ILE A 55 -8.050 1.139 2.512 1.00 0.00 O ATOM 923 CB ILE A 55 -5.840 0.441 4.695 1.00 0.00 C ATOM 924 CG1 ILE A 55 -4.827 -0.698 4.848 1.00 0.00 C ATOM 925 CG2 ILE A 55 -5.862 1.303 5.946 1.00 0.00 C ATOM 926 CD1 ILE A 55 -5.135 -1.631 5.998 1.00 0.00 C ATOM 0 H ILE A 55 -6.623 -1.218 2.728 1.00 0.00 H new ATOM 0 HA ILE A 55 -7.735 -0.410 5.327 1.00 0.00 H new ATOM 0 HB ILE A 55 -5.533 1.060 3.852 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -4.797 -1.273 3.923 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -3.834 -0.273 4.992 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -4.861 1.687 6.141 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -6.548 2.137 5.801 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -6.193 0.704 6.795 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -4.377 -2.412 6.046 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -5.136 -1.069 6.932 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -6.114 -2.085 5.846 1.00 0.00 H new ATOM 938 N ALA A 56 -8.769 1.752 4.557 1.00 0.00 N ATOM 939 CA ALA A 56 -9.584 2.857 4.076 1.00 0.00 C ATOM 940 C ALA A 56 -8.791 4.152 4.146 1.00 0.00 C ATOM 941 O ALA A 56 -7.863 4.274 4.944 1.00 0.00 O ATOM 942 CB ALA A 56 -10.865 2.970 4.887 1.00 0.00 C ATOM 0 H ALA A 56 -8.788 1.628 5.569 1.00 0.00 H new ATOM 0 HA ALA A 56 -9.857 2.667 3.038 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -11.461 3.802 4.512 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -11.435 2.046 4.797 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -10.618 3.143 5.934 1.00 0.00 H new ATOM 948 N PHE A 57 -9.141 5.114 3.304 1.00 0.00 N ATOM 949 CA PHE A 57 -8.427 6.381 3.286 1.00 0.00 C ATOM 950 C PHE A 57 -9.360 7.520 3.697 1.00 0.00 C ATOM 951 O PHE A 57 -10.412 7.719 3.091 1.00 0.00 O ATOM 952 CB PHE A 57 -7.867 6.624 1.884 1.00 0.00 C ATOM 953 CG PHE A 57 -6.565 7.376 1.860 1.00 0.00 C ATOM 954 CD1 PHE A 57 -6.118 8.072 2.971 1.00 0.00 C ATOM 955 CD2 PHE A 57 -5.775 7.359 0.723 1.00 0.00 C ATOM 956 CE1 PHE A 57 -4.910 8.737 2.947 1.00 0.00 C ATOM 957 CE2 PHE A 57 -4.567 8.025 0.691 1.00 0.00 C ATOM 958 CZ PHE A 57 -4.133 8.715 1.805 1.00 0.00 C ATOM 0 H PHE A 57 -9.905 5.043 2.632 1.00 0.00 H new ATOM 0 HA PHE A 57 -7.603 6.344 3.999 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -7.727 5.663 1.390 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -8.604 7.178 1.302 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -6.722 8.094 3.866 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -6.109 6.818 -0.150 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -4.572 9.275 3.820 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -3.962 8.006 -0.204 1.00 0.00 H new ATOM 0 HZ PHE A 57 -3.188 9.237 1.784 1.00 0.00 H new ATOM 968 N VAL A 58 -8.973 8.260 4.735 1.00 0.00 N ATOM 969 CA VAL A 58 -9.787 9.369 5.227 1.00 0.00 C ATOM 970 C VAL A 58 -9.660 10.602 4.336 1.00 0.00 C ATOM 971 O VAL A 58 -10.547 11.456 4.318 1.00 0.00 O ATOM 972 CB VAL A 58 -9.404 9.753 6.668 1.00 0.00 C ATOM 973 CG1 VAL A 58 -10.392 10.762 7.233 1.00 0.00 C ATOM 974 CG2 VAL A 58 -9.333 8.516 7.550 1.00 0.00 C ATOM 0 H VAL A 58 -8.105 8.112 5.249 1.00 0.00 H new ATOM 0 HA VAL A 58 -10.820 9.023 5.209 1.00 0.00 H new ATOM 0 HB VAL A 58 -8.417 10.216 6.650 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -10.105 11.021 8.252 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -10.388 11.660 6.615 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -11.392 10.329 7.237 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -9.061 8.808 8.564 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -10.304 8.022 7.563 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -8.583 7.831 7.156 1.00 0.00 H new ATOM 984 N ALA A 59 -8.555 10.695 3.602 1.00 0.00 N ATOM 985 CA ALA A 59 -8.320 11.832 2.715 1.00 0.00 C ATOM 986 C ALA A 59 -9.547 12.131 1.859 1.00 0.00 C ATOM 987 O ALA A 59 -9.994 13.275 1.776 1.00 0.00 O ATOM 988 CB ALA A 59 -7.109 11.566 1.831 1.00 0.00 C ATOM 0 H ALA A 59 -7.809 9.999 3.603 1.00 0.00 H new ATOM 0 HA ALA A 59 -8.124 12.708 3.333 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -6.943 12.420 1.174 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -6.229 11.413 2.456 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -7.286 10.675 1.229 1.00 0.00 H new ATOM 994 N THR A 60 -10.086 11.096 1.225 1.00 0.00 N ATOM 995 CA THR A 60 -11.262 11.247 0.375 1.00 0.00 C ATOM 996 C THR A 60 -12.226 10.076 0.553 1.00 0.00 C ATOM 997 O THR A 60 -13.114 9.863 -0.273 1.00 0.00 O ATOM 998 CB THR A 60 -10.844 11.358 -1.091 1.00 0.00 C ATOM 999 OG1 THR A 60 -9.922 10.338 -1.429 1.00 0.00 O ATOM 1000 CG2 THR A 60 -10.203 12.687 -1.431 1.00 0.00 C ATOM 0 H THR A 60 -9.728 10.143 1.283 1.00 0.00 H new ATOM 0 HA THR A 60 -11.776 12.161 0.673 1.00 0.00 H new ATOM 0 HB THR A 60 -11.767 11.260 -1.662 1.00 0.00 H new ATOM 0 HG1 THR A 60 -9.668 10.426 -2.372 1.00 0.00 H new ATOM 0 HG21 THR A 60 -9.930 12.700 -2.486 1.00 0.00 H new ATOM 0 HG22 THR A 60 -10.908 13.493 -1.229 1.00 0.00 H new ATOM 0 HG23 THR A 60 -9.309 12.826 -0.823 1.00 0.00 H new ATOM 1008 N GLY A 61 -12.048 9.316 1.632 1.00 0.00 N ATOM 1009 CA GLY A 61 -12.912 8.179 1.885 1.00 0.00 C ATOM 1010 C GLY A 61 -12.818 7.131 0.795 1.00 0.00 C ATOM 1011 O GLY A 61 -13.834 6.700 0.248 1.00 0.00 O ATOM 0 H GLY A 61 -11.322 9.468 2.332 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -12.646 7.730 2.842 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -13.944 8.521 1.969 1.00 0.00 H new ATOM 1015 N THR A 62 -11.594 6.724 0.473 1.00 0.00 N ATOM 1016 CA THR A 62 -11.368 5.724 -0.563 1.00 0.00 C ATOM 1017 C THR A 62 -10.786 4.443 0.026 1.00 0.00 C ATOM 1018 O THR A 62 -9.772 4.474 0.723 1.00 0.00 O ATOM 1019 CB THR A 62 -10.427 6.277 -1.636 1.00 0.00 C ATOM 1020 OG1 THR A 62 -10.137 5.286 -2.607 1.00 0.00 O ATOM 1021 CG2 THR A 62 -9.109 6.775 -1.081 1.00 0.00 C ATOM 0 H THR A 62 -10.743 7.072 0.915 1.00 0.00 H new ATOM 0 HA THR A 62 -12.331 5.487 -1.016 1.00 0.00 H new ATOM 0 HB THR A 62 -10.958 7.121 -2.077 1.00 0.00 H new ATOM 0 HG1 THR A 62 -9.536 5.659 -3.285 1.00 0.00 H new ATOM 0 HG21 THR A 62 -8.491 7.153 -1.895 1.00 0.00 H new ATOM 0 HG22 THR A 62 -9.295 7.575 -0.365 1.00 0.00 H new ATOM 0 HG23 THR A 62 -8.591 5.955 -0.583 1.00 0.00 H new ATOM 1029 N ASN A 63 -11.429 3.316 -0.266 1.00 0.00 N ATOM 1030 CA ASN A 63 -10.967 2.025 0.227 1.00 0.00 C ATOM 1031 C ASN A 63 -9.814 1.519 -0.631 1.00 0.00 C ATOM 1032 O ASN A 63 -9.892 1.534 -1.860 1.00 0.00 O ATOM 1033 CB ASN A 63 -12.112 1.010 0.219 1.00 0.00 C ATOM 1034 CG ASN A 63 -11.695 -0.339 0.774 1.00 0.00 C ATOM 1035 OD1 ASN A 63 -11.585 -0.516 1.987 1.00 0.00 O ATOM 1036 ND2 ASN A 63 -11.459 -1.296 -0.114 1.00 0.00 N ATOM 0 H ASN A 63 -12.270 3.272 -0.841 1.00 0.00 H new ATOM 0 HA ASN A 63 -10.618 2.149 1.252 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -12.943 1.400 0.806 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -12.474 0.884 -0.801 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -11.174 -2.224 0.200 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -11.563 -1.104 -1.110 1.00 0.00 H new ATOM 1043 N LEU A 64 -8.737 1.084 0.015 1.00 0.00 N ATOM 1044 CA LEU A 64 -7.571 0.595 -0.709 1.00 0.00 C ATOM 1045 C LEU A 64 -7.145 -0.792 -0.243 1.00 0.00 C ATOM 1046 O LEU A 64 -6.813 -0.995 0.925 1.00 0.00 O ATOM 1047 CB LEU A 64 -6.398 1.562 -0.545 1.00 0.00 C ATOM 1048 CG LEU A 64 -6.750 3.043 -0.676 1.00 0.00 C ATOM 1049 CD1 LEU A 64 -5.752 3.892 0.096 1.00 0.00 C ATOM 1050 CD2 LEU A 64 -6.782 3.451 -2.141 1.00 0.00 C ATOM 0 H LEU A 64 -8.648 1.060 1.031 1.00 0.00 H new ATOM 0 HA LEU A 64 -7.855 0.528 -1.759 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -5.947 1.398 0.434 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -5.641 1.318 -1.290 1.00 0.00 H new ATOM 0 HG LEU A 64 -7.741 3.207 -0.253 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -6.015 4.945 -0.006 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -5.775 3.613 1.149 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -4.750 3.728 -0.301 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -7.034 4.509 -2.219 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -5.803 3.277 -2.588 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -7.532 2.860 -2.667 1.00 0.00 H new ATOM 1062 N SER A 65 -7.120 -1.731 -1.179 1.00 0.00 N ATOM 1063 CA SER A 65 -6.692 -3.093 -0.895 1.00 0.00 C ATOM 1064 C SER A 65 -5.333 -3.318 -1.543 1.00 0.00 C ATOM 1065 O SER A 65 -5.240 -3.478 -2.760 1.00 0.00 O ATOM 1066 CB SER A 65 -7.711 -4.102 -1.428 1.00 0.00 C ATOM 1067 OG SER A 65 -9.023 -3.572 -1.391 1.00 0.00 O ATOM 0 H SER A 65 -7.393 -1.572 -2.149 1.00 0.00 H new ATOM 0 HA SER A 65 -6.617 -3.236 0.183 1.00 0.00 H new ATOM 0 HB2 SER A 65 -7.455 -4.375 -2.452 1.00 0.00 H new ATOM 0 HB3 SER A 65 -7.668 -5.015 -0.834 1.00 0.00 H new ATOM 0 HG SER A 65 -9.654 -4.236 -1.738 1.00 0.00 H new ATOM 1073 N LEU A 66 -4.278 -3.287 -0.739 1.00 0.00 N ATOM 1074 CA LEU A 66 -2.930 -3.444 -1.269 1.00 0.00 C ATOM 1075 C LEU A 66 -2.223 -4.682 -0.728 1.00 0.00 C ATOM 1076 O LEU A 66 -2.477 -5.128 0.391 1.00 0.00 O ATOM 1077 CB LEU A 66 -2.088 -2.192 -0.978 1.00 0.00 C ATOM 1078 CG LEU A 66 -2.501 -1.355 0.244 1.00 0.00 C ATOM 1079 CD1 LEU A 66 -3.831 -0.651 0.014 1.00 0.00 C ATOM 1080 CD2 LEU A 66 -2.553 -2.207 1.503 1.00 0.00 C ATOM 0 H LEU A 66 -4.328 -3.156 0.271 1.00 0.00 H new ATOM 0 HA LEU A 66 -3.032 -3.575 -2.346 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -1.051 -2.502 -0.845 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -2.118 -1.549 -1.858 1.00 0.00 H new ATOM 0 HG LEU A 66 -1.738 -0.589 0.385 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -4.092 -0.069 0.898 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -3.747 0.013 -0.846 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -4.607 -1.393 -0.174 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -2.848 -1.587 2.350 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -3.279 -3.009 1.370 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -1.569 -2.636 1.693 1.00 0.00 H new ATOM 1092 N GLN A 67 -1.319 -5.218 -1.545 1.00 0.00 N ATOM 1093 CA GLN A 67 -0.537 -6.393 -1.183 1.00 0.00 C ATOM 1094 C GLN A 67 0.926 -6.003 -1.009 1.00 0.00 C ATOM 1095 O GLN A 67 1.598 -5.632 -1.971 1.00 0.00 O ATOM 1096 CB GLN A 67 -0.668 -7.474 -2.259 1.00 0.00 C ATOM 1097 CG GLN A 67 -0.349 -6.978 -3.660 1.00 0.00 C ATOM 1098 CD GLN A 67 -1.577 -6.899 -4.546 1.00 0.00 C ATOM 1099 OE1 GLN A 67 -2.108 -7.919 -4.983 1.00 0.00 O ATOM 1100 NE2 GLN A 67 -2.035 -5.681 -4.814 1.00 0.00 N ATOM 0 H GLN A 67 -1.110 -4.850 -2.473 1.00 0.00 H new ATOM 0 HA GLN A 67 -0.916 -6.793 -0.243 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -0.001 -8.301 -2.015 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -1.684 -7.868 -2.245 1.00 0.00 H new ATOM 0 HG2 GLN A 67 0.112 -5.992 -3.596 1.00 0.00 H new ATOM 0 HG3 GLN A 67 0.383 -7.643 -4.119 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -1.563 -4.863 -4.430 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -2.859 -5.564 -5.404 1.00 0.00 H new ATOM 1109 N PHE A 68 1.409 -6.069 0.224 1.00 0.00 N ATOM 1110 CA PHE A 68 2.788 -5.701 0.527 1.00 0.00 C ATOM 1111 C PHE A 68 3.686 -6.909 0.760 1.00 0.00 C ATOM 1112 O PHE A 68 3.444 -7.739 1.636 1.00 0.00 O ATOM 1113 CB PHE A 68 2.850 -4.754 1.722 1.00 0.00 C ATOM 1114 CG PHE A 68 1.614 -4.752 2.567 1.00 0.00 C ATOM 1115 CD1 PHE A 68 1.239 -5.864 3.306 1.00 0.00 C ATOM 1116 CD2 PHE A 68 0.825 -3.620 2.618 1.00 0.00 C ATOM 1117 CE1 PHE A 68 0.101 -5.838 4.081 1.00 0.00 C ATOM 1118 CE2 PHE A 68 -0.310 -3.588 3.392 1.00 0.00 C ATOM 1119 CZ PHE A 68 -0.671 -4.698 4.127 1.00 0.00 C ATOM 0 H PHE A 68 0.867 -6.374 1.032 1.00 0.00 H new ATOM 0 HA PHE A 68 3.169 -5.187 -0.355 1.00 0.00 H new ATOM 0 HB2 PHE A 68 3.702 -5.028 2.344 1.00 0.00 H new ATOM 0 HB3 PHE A 68 3.031 -3.742 1.360 1.00 0.00 H new ATOM 0 HD1 PHE A 68 1.844 -6.758 3.273 1.00 0.00 H new ATOM 0 HD2 PHE A 68 1.103 -2.749 2.043 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -0.186 -6.709 4.651 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -0.918 -2.696 3.425 1.00 0.00 H new ATOM 0 HZ PHE A 68 -1.560 -4.673 4.739 1.00 0.00 H new ATOM 1129 N PHE A 69 4.737 -6.963 -0.043 1.00 0.00 N ATOM 1130 CA PHE A 69 5.737 -8.021 0.018 1.00 0.00 C ATOM 1131 C PHE A 69 7.031 -7.555 -0.644 1.00 0.00 C ATOM 1132 O PHE A 69 7.009 -6.679 -1.508 1.00 0.00 O ATOM 1133 CB PHE A 69 5.235 -9.293 -0.667 1.00 0.00 C ATOM 1134 CG PHE A 69 4.519 -10.239 0.255 1.00 0.00 C ATOM 1135 CD1 PHE A 69 4.986 -10.468 1.542 1.00 0.00 C ATOM 1136 CD2 PHE A 69 3.380 -10.905 -0.169 1.00 0.00 C ATOM 1137 CE1 PHE A 69 4.330 -11.342 2.385 1.00 0.00 C ATOM 1138 CE2 PHE A 69 2.719 -11.779 0.672 1.00 0.00 C ATOM 1139 CZ PHE A 69 3.196 -11.998 1.951 1.00 0.00 C ATOM 0 H PHE A 69 4.923 -6.266 -0.764 1.00 0.00 H new ATOM 0 HA PHE A 69 5.926 -8.248 1.067 1.00 0.00 H new ATOM 0 HB2 PHE A 69 4.564 -9.016 -1.480 1.00 0.00 H new ATOM 0 HB3 PHE A 69 6.083 -9.811 -1.116 1.00 0.00 H new ATOM 0 HD1 PHE A 69 5.872 -9.957 1.887 1.00 0.00 H new ATOM 0 HD2 PHE A 69 3.005 -10.739 -1.168 1.00 0.00 H new ATOM 0 HE1 PHE A 69 4.704 -11.512 3.384 1.00 0.00 H new ATOM 0 HE2 PHE A 69 1.831 -12.290 0.331 1.00 0.00 H new ATOM 0 HZ PHE A 69 2.682 -12.682 2.610 1.00 0.00 H new ATOM 1149 N PRO A 70 8.177 -8.140 -0.265 1.00 0.00 N ATOM 1150 CA PRO A 70 9.468 -7.770 -0.850 1.00 0.00 C ATOM 1151 C PRO A 70 9.507 -8.044 -2.351 1.00 0.00 C ATOM 1152 O PRO A 70 9.486 -9.196 -2.782 1.00 0.00 O ATOM 1153 CB PRO A 70 10.473 -8.662 -0.112 1.00 0.00 C ATOM 1154 CG PRO A 70 9.663 -9.781 0.448 1.00 0.00 C ATOM 1155 CD PRO A 70 8.308 -9.204 0.743 1.00 0.00 C ATOM 0 HA PRO A 70 9.678 -6.706 -0.742 1.00 0.00 H new ATOM 0 HB2 PRO A 70 11.242 -9.033 -0.789 1.00 0.00 H new ATOM 0 HB3 PRO A 70 10.983 -8.111 0.678 1.00 0.00 H new ATOM 0 HG2 PRO A 70 9.590 -10.604 -0.263 1.00 0.00 H new ATOM 0 HG3 PRO A 70 10.122 -10.181 1.352 1.00 0.00 H new ATOM 0 HD2 PRO A 70 7.521 -9.952 0.646 1.00 0.00 H new ATOM 0 HD3 PRO A 70 8.249 -8.809 1.757 1.00 0.00 H new ATOM 1163 N ALA A 71 9.558 -6.975 -3.141 1.00 0.00 N ATOM 1164 CA ALA A 71 9.592 -7.094 -4.596 1.00 0.00 C ATOM 1165 C ALA A 71 10.794 -7.906 -5.073 1.00 0.00 C ATOM 1166 O ALA A 71 10.839 -8.339 -6.225 1.00 0.00 O ATOM 1167 CB ALA A 71 9.593 -5.714 -5.238 1.00 0.00 C ATOM 0 H ALA A 71 9.577 -6.015 -2.797 1.00 0.00 H new ATOM 0 HA ALA A 71 8.694 -7.630 -4.904 1.00 0.00 H new ATOM 0 HB1 ALA A 71 9.619 -5.817 -6.323 1.00 0.00 H new ATOM 0 HB2 ALA A 71 8.691 -5.176 -4.946 1.00 0.00 H new ATOM 0 HB3 ALA A 71 10.470 -5.159 -4.906 1.00 0.00 H new ATOM 1173 N SER A 72 11.765 -8.113 -4.187 1.00 0.00 N ATOM 1174 CA SER A 72 12.965 -8.878 -4.517 1.00 0.00 C ATOM 1175 C SER A 72 12.627 -10.147 -5.299 1.00 0.00 C ATOM 1176 O SER A 72 13.380 -10.559 -6.182 1.00 0.00 O ATOM 1177 CB SER A 72 13.710 -9.246 -3.235 1.00 0.00 C ATOM 1178 OG SER A 72 14.799 -8.368 -3.006 1.00 0.00 O ATOM 0 H SER A 72 11.744 -7.760 -3.230 1.00 0.00 H new ATOM 0 HA SER A 72 13.598 -8.254 -5.148 1.00 0.00 H new ATOM 0 HB2 SER A 72 13.024 -9.208 -2.389 1.00 0.00 H new ATOM 0 HB3 SER A 72 14.074 -10.271 -3.304 1.00 0.00 H new ATOM 0 HG SER A 72 15.258 -8.624 -2.179 1.00 0.00 H new ATOM 1319 N PRO A 81 7.118 -11.677 5.437 1.00 0.00 N ATOM 1320 CA PRO A 81 6.728 -10.274 5.612 1.00 0.00 C ATOM 1321 C PRO A 81 7.879 -9.412 6.111 1.00 0.00 C ATOM 1322 O PRO A 81 8.026 -9.190 7.312 1.00 0.00 O ATOM 1323 CB PRO A 81 5.613 -10.334 6.662 1.00 0.00 C ATOM 1324 CG PRO A 81 5.819 -11.633 7.358 1.00 0.00 C ATOM 1325 CD PRO A 81 6.338 -12.572 6.308 1.00 0.00 C ATOM 0 HA PRO A 81 6.417 -9.821 4.670 1.00 0.00 H new ATOM 0 HB2 PRO A 81 5.679 -9.497 7.358 1.00 0.00 H new ATOM 0 HB3 PRO A 81 4.628 -10.286 6.197 1.00 0.00 H new ATOM 0 HG2 PRO A 81 6.529 -11.530 8.179 1.00 0.00 H new ATOM 0 HG3 PRO A 81 4.887 -12.001 7.787 1.00 0.00 H new ATOM 0 HD2 PRO A 81 6.956 -13.360 6.738 1.00 0.00 H new ATOM 0 HD3 PRO A 81 5.529 -13.062 5.766 1.00 0.00 H new ATOM 1333 N SER A 82 8.687 -8.920 5.180 1.00 0.00 N ATOM 1334 CA SER A 82 9.817 -8.072 5.532 1.00 0.00 C ATOM 1335 C SER A 82 9.325 -6.696 5.955 1.00 0.00 C ATOM 1336 O SER A 82 8.339 -6.193 5.418 1.00 0.00 O ATOM 1337 CB SER A 82 10.780 -7.946 4.349 1.00 0.00 C ATOM 1338 OG SER A 82 12.086 -7.611 4.787 1.00 0.00 O ATOM 0 H SER A 82 8.581 -9.093 4.180 1.00 0.00 H new ATOM 0 HA SER A 82 10.349 -8.530 6.366 1.00 0.00 H new ATOM 0 HB2 SER A 82 10.808 -8.886 3.797 1.00 0.00 H new ATOM 0 HB3 SER A 82 10.417 -7.183 3.660 1.00 0.00 H new ATOM 0 HG SER A 82 12.682 -7.538 4.013 1.00 0.00 H new ATOM 1344 N ARG A 83 10.007 -6.086 6.919 1.00 0.00 N ATOM 1345 CA ARG A 83 9.611 -4.764 7.397 1.00 0.00 C ATOM 1346 C ARG A 83 9.606 -3.752 6.252 1.00 0.00 C ATOM 1347 O ARG A 83 8.988 -2.692 6.353 1.00 0.00 O ATOM 1348 CB ARG A 83 10.517 -4.273 8.536 1.00 0.00 C ATOM 1349 CG ARG A 83 11.125 -5.384 9.385 1.00 0.00 C ATOM 1350 CD ARG A 83 10.056 -6.306 9.952 1.00 0.00 C ATOM 1351 NE ARG A 83 10.342 -7.712 9.673 1.00 0.00 N ATOM 1352 CZ ARG A 83 9.785 -8.726 10.331 1.00 0.00 C ATOM 1353 NH1 ARG A 83 8.913 -8.495 11.305 1.00 0.00 N ATOM 1354 NH2 ARG A 83 10.100 -9.974 10.014 1.00 0.00 N ATOM 0 H ARG A 83 10.827 -6.479 7.381 1.00 0.00 H new ATOM 0 HA ARG A 83 8.599 -4.855 7.792 1.00 0.00 H new ATOM 0 HB2 ARG A 83 11.323 -3.676 8.110 1.00 0.00 H new ATOM 0 HB3 ARG A 83 9.940 -3.613 9.183 1.00 0.00 H new ATOM 0 HG2 ARG A 83 11.823 -5.964 8.781 1.00 0.00 H new ATOM 0 HG3 ARG A 83 11.699 -4.946 10.202 1.00 0.00 H new ATOM 0 HD2 ARG A 83 9.983 -6.158 11.029 1.00 0.00 H new ATOM 0 HD3 ARG A 83 9.087 -6.042 9.528 1.00 0.00 H new ATOM 0 HE ARG A 83 11.007 -7.929 8.931 1.00 0.00 H new ATOM 0 HH11 ARG A 83 8.667 -7.537 11.552 1.00 0.00 H new ATOM 0 HH12 ARG A 83 8.489 -9.276 11.806 1.00 0.00 H new ATOM 0 HH21 ARG A 83 10.769 -10.157 9.266 1.00 0.00 H new ATOM 0 HH22 ARG A 83 9.673 -10.751 10.518 1.00 0.00 H new ATOM 1368 N GLU A 84 10.283 -4.092 5.155 1.00 0.00 N ATOM 1369 CA GLU A 84 10.337 -3.221 3.987 1.00 0.00 C ATOM 1370 C GLU A 84 8.934 -2.906 3.492 1.00 0.00 C ATOM 1371 O GLU A 84 8.579 -1.744 3.293 1.00 0.00 O ATOM 1372 CB GLU A 84 11.149 -3.881 2.871 1.00 0.00 C ATOM 1373 CG GLU A 84 12.606 -4.116 3.237 1.00 0.00 C ATOM 1374 CD GLU A 84 13.335 -4.962 2.211 1.00 0.00 C ATOM 1375 OE1 GLU A 84 12.712 -5.894 1.658 1.00 0.00 O ATOM 1376 OE2 GLU A 84 14.528 -4.693 1.959 1.00 0.00 O ATOM 0 H GLU A 84 10.801 -4.965 5.053 1.00 0.00 H new ATOM 0 HA GLU A 84 10.823 -2.289 4.275 1.00 0.00 H new ATOM 0 HB2 GLU A 84 10.689 -4.835 2.614 1.00 0.00 H new ATOM 0 HB3 GLU A 84 11.103 -3.255 1.980 1.00 0.00 H new ATOM 0 HG2 GLU A 84 13.112 -3.155 3.336 1.00 0.00 H new ATOM 0 HG3 GLU A 84 12.658 -4.605 4.210 1.00 0.00 H new ATOM 1383 N TYR A 85 8.141 -3.951 3.287 1.00 0.00 N ATOM 1384 CA TYR A 85 6.778 -3.786 2.807 1.00 0.00 C ATOM 1385 C TYR A 85 5.768 -4.110 3.907 1.00 0.00 C ATOM 1386 O TYR A 85 4.619 -3.681 3.850 1.00 0.00 O ATOM 1387 CB TYR A 85 6.546 -4.654 1.573 1.00 0.00 C ATOM 1388 CG TYR A 85 7.189 -4.086 0.325 1.00 0.00 C ATOM 1389 CD1 TYR A 85 8.479 -3.563 0.360 1.00 0.00 C ATOM 1390 CD2 TYR A 85 6.508 -4.066 -0.884 1.00 0.00 C ATOM 1391 CE1 TYR A 85 9.068 -3.042 -0.777 1.00 0.00 C ATOM 1392 CE2 TYR A 85 7.091 -3.547 -2.024 1.00 0.00 C ATOM 1393 CZ TYR A 85 8.371 -3.036 -1.965 1.00 0.00 C ATOM 1394 OH TYR A 85 8.955 -2.519 -3.099 1.00 0.00 O ATOM 0 H TYR A 85 8.419 -4.919 3.446 1.00 0.00 H new ATOM 0 HA TYR A 85 6.633 -2.743 2.525 1.00 0.00 H new ATOM 0 HB2 TYR A 85 6.942 -5.653 1.758 1.00 0.00 H new ATOM 0 HB3 TYR A 85 5.474 -4.762 1.407 1.00 0.00 H new ATOM 0 HD1 TYR A 85 9.028 -3.564 1.290 1.00 0.00 H new ATOM 0 HD2 TYR A 85 5.505 -4.463 -0.935 1.00 0.00 H new ATOM 0 HE1 TYR A 85 10.070 -2.642 -0.734 1.00 0.00 H new ATOM 0 HE2 TYR A 85 6.547 -3.541 -2.957 1.00 0.00 H new ATOM 0 HH TYR A 85 8.330 -2.592 -3.851 1.00 0.00 H new ATOM 1404 N VAL A 86 6.213 -4.842 4.923 1.00 0.00 N ATOM 1405 CA VAL A 86 5.363 -5.186 6.052 1.00 0.00 C ATOM 1406 C VAL A 86 6.193 -5.236 7.321 1.00 0.00 C ATOM 1407 O VAL A 86 7.009 -6.138 7.509 1.00 0.00 O ATOM 1408 CB VAL A 86 4.640 -6.532 5.886 1.00 0.00 C ATOM 1409 CG1 VAL A 86 3.189 -6.315 5.488 1.00 0.00 C ATOM 1410 CG2 VAL A 86 5.349 -7.425 4.882 1.00 0.00 C ATOM 0 H VAL A 86 7.163 -5.209 4.985 1.00 0.00 H new ATOM 0 HA VAL A 86 4.600 -4.410 6.107 1.00 0.00 H new ATOM 0 HB VAL A 86 4.661 -7.041 6.849 1.00 0.00 H new ATOM 0 HG11 VAL A 86 2.694 -7.280 5.375 1.00 0.00 H new ATOM 0 HG12 VAL A 86 2.683 -5.736 6.260 1.00 0.00 H new ATOM 0 HG13 VAL A 86 3.148 -5.774 4.543 1.00 0.00 H new ATOM 0 HG21 VAL A 86 4.810 -8.368 4.790 1.00 0.00 H new ATOM 0 HG22 VAL A 86 5.380 -6.929 3.912 1.00 0.00 H new ATOM 0 HG23 VAL A 86 6.366 -7.620 5.223 1.00 0.00 H new ATOM 1420 N ASP A 87 5.985 -4.254 8.178 1.00 0.00 N ATOM 1421 CA ASP A 87 6.722 -4.158 9.427 1.00 0.00 C ATOM 1422 C ASP A 87 5.932 -4.728 10.591 1.00 0.00 C ATOM 1423 O ASP A 87 4.703 -4.654 10.625 1.00 0.00 O ATOM 1424 CB ASP A 87 7.091 -2.700 9.710 1.00 0.00 C ATOM 1425 CG ASP A 87 8.133 -2.565 10.804 1.00 0.00 C ATOM 1426 OD1 ASP A 87 7.864 -3.018 11.937 1.00 0.00 O ATOM 1427 OD2 ASP A 87 9.215 -2.006 10.529 1.00 0.00 O ATOM 0 H ASP A 87 5.307 -3.506 8.032 1.00 0.00 H new ATOM 0 HA ASP A 87 7.632 -4.749 9.320 1.00 0.00 H new ATOM 0 HB2 ASP A 87 7.467 -2.240 8.796 1.00 0.00 H new ATOM 0 HB3 ASP A 87 6.194 -2.151 9.997 1.00 0.00 H new ATOM 1515 N GLY A 93 3.979 2.387 18.098 1.00 0.00 N ATOM 1516 CA GLY A 93 2.798 1.772 18.679 1.00 0.00 C ATOM 1517 C GLY A 93 1.805 1.304 17.628 1.00 0.00 C ATOM 1518 O GLY A 93 0.664 0.970 17.947 1.00 0.00 O ATOM 0 HA2 GLY A 93 3.100 0.923 19.292 1.00 0.00 H new ATOM 0 HA3 GLY A 93 2.310 2.486 19.342 1.00 0.00 H new ATOM 1522 N LYS A 94 2.243 1.279 16.372 1.00 0.00 N ATOM 1523 CA LYS A 94 1.396 0.848 15.266 1.00 0.00 C ATOM 1524 C LYS A 94 2.221 0.040 14.271 1.00 0.00 C ATOM 1525 O LYS A 94 3.431 -0.115 14.442 1.00 0.00 O ATOM 1526 CB LYS A 94 0.761 2.055 14.557 1.00 0.00 C ATOM 1527 CG LYS A 94 0.747 3.330 15.390 1.00 0.00 C ATOM 1528 CD LYS A 94 2.037 4.116 15.229 1.00 0.00 C ATOM 1529 CE LYS A 94 2.163 5.199 16.289 1.00 0.00 C ATOM 1530 NZ LYS A 94 1.354 6.404 15.953 1.00 0.00 N ATOM 0 H LYS A 94 3.185 1.554 16.095 1.00 0.00 H new ATOM 0 HA LYS A 94 0.596 0.226 15.667 1.00 0.00 H new ATOM 0 HB2 LYS A 94 1.303 2.245 13.631 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -0.263 1.803 14.281 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -0.098 3.951 15.092 1.00 0.00 H new ATOM 0 HG3 LYS A 94 0.602 3.078 16.440 1.00 0.00 H new ATOM 0 HD2 LYS A 94 2.888 3.439 15.296 1.00 0.00 H new ATOM 0 HD3 LYS A 94 2.067 4.569 14.238 1.00 0.00 H new ATOM 0 HE2 LYS A 94 1.841 4.803 17.252 1.00 0.00 H new ATOM 0 HE3 LYS A 94 3.210 5.483 16.395 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 1.963 7.247 15.972 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 0.945 6.294 15.003 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 0.589 6.514 16.649 1.00 0.00 H new ATOM 1544 N VAL A 95 1.574 -0.473 13.233 1.00 0.00 N ATOM 1545 CA VAL A 95 2.273 -1.260 12.223 1.00 0.00 C ATOM 1546 C VAL A 95 2.117 -0.641 10.836 1.00 0.00 C ATOM 1547 O VAL A 95 1.009 -0.551 10.308 1.00 0.00 O ATOM 1548 CB VAL A 95 1.766 -2.720 12.194 1.00 0.00 C ATOM 1549 CG1 VAL A 95 0.249 -2.764 12.268 1.00 0.00 C ATOM 1550 CG2 VAL A 95 2.267 -3.449 10.952 1.00 0.00 C ATOM 0 H VAL A 95 0.574 -0.360 13.068 1.00 0.00 H new ATOM 0 HA VAL A 95 3.328 -1.260 12.496 1.00 0.00 H new ATOM 0 HB VAL A 95 2.166 -3.232 13.069 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -0.086 -3.801 12.246 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -0.084 -2.294 13.194 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -0.172 -2.228 11.417 1.00 0.00 H new ATOM 0 HG21 VAL A 95 1.896 -4.474 10.957 1.00 0.00 H new ATOM 0 HG22 VAL A 95 1.907 -2.937 10.060 1.00 0.00 H new ATOM 0 HG23 VAL A 95 3.357 -3.458 10.950 1.00 0.00 H new ATOM 1560 N TYR A 96 3.239 -0.239 10.245 1.00 0.00 N ATOM 1561 CA TYR A 96 3.235 0.351 8.907 1.00 0.00 C ATOM 1562 C TYR A 96 3.773 -0.611 7.860 1.00 0.00 C ATOM 1563 O TYR A 96 4.711 -1.368 8.110 1.00 0.00 O ATOM 1564 CB TYR A 96 3.999 1.683 8.853 1.00 0.00 C ATOM 1565 CG TYR A 96 4.949 1.946 10.005 1.00 0.00 C ATOM 1566 CD1 TYR A 96 5.882 1.004 10.429 1.00 0.00 C ATOM 1567 CD2 TYR A 96 4.907 3.166 10.664 1.00 0.00 C ATOM 1568 CE1 TYR A 96 6.742 1.278 11.477 1.00 0.00 C ATOM 1569 CE2 TYR A 96 5.760 3.446 11.710 1.00 0.00 C ATOM 1570 CZ TYR A 96 6.676 2.500 12.114 1.00 0.00 C ATOM 1571 OH TYR A 96 7.528 2.779 13.156 1.00 0.00 O ATOM 0 H TYR A 96 4.163 -0.311 10.671 1.00 0.00 H new ATOM 0 HA TYR A 96 2.191 0.558 8.673 1.00 0.00 H new ATOM 0 HB2 TYR A 96 4.567 1.717 7.923 1.00 0.00 H new ATOM 0 HB3 TYR A 96 3.273 2.495 8.813 1.00 0.00 H new ATOM 0 HD1 TYR A 96 5.935 0.046 9.933 1.00 0.00 H new ATOM 0 HD2 TYR A 96 4.191 3.912 10.351 1.00 0.00 H new ATOM 0 HE1 TYR A 96 7.462 0.539 11.795 1.00 0.00 H new ATOM 0 HE2 TYR A 96 5.710 4.402 12.210 1.00 0.00 H new ATOM 0 HH TYR A 96 7.350 3.682 13.491 1.00 0.00 H new ATOM 1581 N LEU A 97 3.153 -0.576 6.684 1.00 0.00 N ATOM 1582 CA LEU A 97 3.539 -1.445 5.583 1.00 0.00 C ATOM 1583 C LEU A 97 3.494 -0.699 4.254 1.00 0.00 C ATOM 1584 O LEU A 97 2.664 0.186 4.054 1.00 0.00 O ATOM 1585 CB LEU A 97 2.619 -2.672 5.526 1.00 0.00 C ATOM 1586 CG LEU A 97 1.133 -2.402 5.815 1.00 0.00 C ATOM 1587 CD1 LEU A 97 0.901 -1.977 7.259 1.00 0.00 C ATOM 1588 CD2 LEU A 97 0.593 -1.346 4.872 1.00 0.00 C ATOM 0 H LEU A 97 2.376 0.050 6.471 1.00 0.00 H new ATOM 0 HA LEU A 97 4.564 -1.774 5.757 1.00 0.00 H new ATOM 0 HB2 LEU A 97 2.702 -3.121 4.536 1.00 0.00 H new ATOM 0 HB3 LEU A 97 2.982 -3.409 6.242 1.00 0.00 H new ATOM 0 HG LEU A 97 0.598 -3.338 5.654 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -0.162 -1.797 7.419 1.00 0.00 H new ATOM 0 HD12 LEU A 97 1.240 -2.767 7.930 1.00 0.00 H new ATOM 0 HD13 LEU A 97 1.459 -1.063 7.463 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -0.460 -1.167 5.090 1.00 0.00 H new ATOM 0 HD22 LEU A 97 1.153 -0.420 5.003 1.00 0.00 H new ATOM 0 HD23 LEU A 97 0.697 -1.690 3.843 1.00 0.00 H new ATOM 1600 N LYS A 98 4.391 -1.079 3.348 1.00 0.00 N ATOM 1601 CA LYS A 98 4.465 -0.472 2.024 1.00 0.00 C ATOM 1602 C LYS A 98 4.140 -1.513 0.957 1.00 0.00 C ATOM 1603 O LYS A 98 4.767 -2.572 0.906 1.00 0.00 O ATOM 1604 CB LYS A 98 5.864 0.106 1.788 1.00 0.00 C ATOM 1605 CG LYS A 98 6.061 0.691 0.398 1.00 0.00 C ATOM 1606 CD LYS A 98 7.498 0.536 -0.071 1.00 0.00 C ATOM 1607 CE LYS A 98 8.356 1.715 0.362 1.00 0.00 C ATOM 1608 NZ LYS A 98 7.808 3.011 -0.125 1.00 0.00 N ATOM 0 H LYS A 98 5.082 -1.811 3.510 1.00 0.00 H new ATOM 0 HA LYS A 98 3.737 0.337 1.963 1.00 0.00 H new ATOM 0 HB2 LYS A 98 6.056 0.882 2.529 1.00 0.00 H new ATOM 0 HB3 LYS A 98 6.603 -0.679 1.950 1.00 0.00 H new ATOM 0 HG2 LYS A 98 5.392 0.195 -0.305 1.00 0.00 H new ATOM 0 HG3 LYS A 98 5.791 1.747 0.405 1.00 0.00 H new ATOM 0 HD2 LYS A 98 7.916 -0.387 0.332 1.00 0.00 H new ATOM 0 HD3 LYS A 98 7.520 0.448 -1.157 1.00 0.00 H new ATOM 0 HE2 LYS A 98 8.422 1.735 1.450 1.00 0.00 H new ATOM 0 HE3 LYS A 98 9.370 1.584 -0.017 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 8.584 3.693 -0.244 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 7.332 2.865 -1.038 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 7.125 3.381 0.567 1.00 0.00 H new ATOM 1622 N ALA A 99 3.155 -1.220 0.114 1.00 0.00 N ATOM 1623 CA ALA A 99 2.754 -2.152 -0.934 1.00 0.00 C ATOM 1624 C ALA A 99 2.721 -1.488 -2.309 1.00 0.00 C ATOM 1625 O ALA A 99 2.259 -0.356 -2.452 1.00 0.00 O ATOM 1626 CB ALA A 99 1.391 -2.745 -0.610 1.00 0.00 C ATOM 0 H ALA A 99 2.623 -0.350 0.135 1.00 0.00 H new ATOM 0 HA ALA A 99 3.500 -2.946 -0.970 1.00 0.00 H new ATOM 0 HB1 ALA A 99 1.100 -3.440 -1.398 1.00 0.00 H new ATOM 0 HB2 ALA A 99 1.442 -3.275 0.341 1.00 0.00 H new ATOM 0 HB3 ALA A 99 0.654 -1.945 -0.540 1.00 0.00 H new ATOM 1632 N PRO A 100 3.211 -2.193 -3.347 1.00 0.00 N ATOM 1633 CA PRO A 100 3.236 -1.686 -4.713 1.00 0.00 C ATOM 1634 C PRO A 100 1.983 -2.075 -5.494 1.00 0.00 C ATOM 1635 O PRO A 100 1.581 -3.240 -5.494 1.00 0.00 O ATOM 1636 CB PRO A 100 4.460 -2.392 -5.285 1.00 0.00 C ATOM 1637 CG PRO A 100 4.458 -3.731 -4.619 1.00 0.00 C ATOM 1638 CD PRO A 100 3.785 -3.551 -3.276 1.00 0.00 C ATOM 0 HA PRO A 100 3.272 -0.598 -4.765 1.00 0.00 H new ATOM 0 HB2 PRO A 100 4.394 -2.487 -6.369 1.00 0.00 H new ATOM 0 HB3 PRO A 100 5.375 -1.841 -5.068 1.00 0.00 H new ATOM 0 HG2 PRO A 100 3.923 -4.463 -5.224 1.00 0.00 H new ATOM 0 HG3 PRO A 100 5.475 -4.102 -4.495 1.00 0.00 H new ATOM 0 HD2 PRO A 100 3.013 -4.303 -3.112 1.00 0.00 H new ATOM 0 HD3 PRO A 100 4.498 -3.641 -2.456 1.00 0.00 H new ATOM 1646 N MET A 101 1.369 -1.102 -6.160 1.00 0.00 N ATOM 1647 CA MET A 101 0.165 -1.361 -6.943 1.00 0.00 C ATOM 1648 C MET A 101 0.144 -0.510 -8.207 1.00 0.00 C ATOM 1649 O MET A 101 0.988 0.367 -8.392 1.00 0.00 O ATOM 1650 CB MET A 101 -1.091 -1.105 -6.102 1.00 0.00 C ATOM 1651 CG MET A 101 -1.353 0.365 -5.810 1.00 0.00 C ATOM 1652 SD MET A 101 -3.067 0.683 -5.344 1.00 0.00 S ATOM 1653 CE MET A 101 -2.865 1.233 -3.651 1.00 0.00 C ATOM 0 H MET A 101 1.683 -0.132 -6.174 1.00 0.00 H new ATOM 0 HA MET A 101 0.174 -2.410 -7.240 1.00 0.00 H new ATOM 0 HB2 MET A 101 -1.954 -1.521 -6.622 1.00 0.00 H new ATOM 0 HB3 MET A 101 -0.999 -1.641 -5.158 1.00 0.00 H new ATOM 0 HG2 MET A 101 -0.694 0.695 -5.007 1.00 0.00 H new ATOM 0 HG3 MET A 101 -1.104 0.957 -6.691 1.00 0.00 H new ATOM 0 HE1 MET A 101 -3.815 1.145 -3.124 1.00 0.00 H new ATOM 0 HE2 MET A 101 -2.116 0.615 -3.155 1.00 0.00 H new ATOM 0 HE3 MET A 101 -2.540 2.274 -3.643 1.00 0.00 H new ATOM 1663 N ILE A 102 -0.821 -0.778 -9.079 1.00 0.00 N ATOM 1664 CA ILE A 102 -0.945 -0.041 -10.330 1.00 0.00 C ATOM 1665 C ILE A 102 -2.074 0.985 -10.265 1.00 0.00 C ATOM 1666 O ILE A 102 -3.252 0.633 -10.328 1.00 0.00 O ATOM 1667 CB ILE A 102 -1.191 -0.992 -11.519 1.00 0.00 C ATOM 1668 CG1 ILE A 102 -0.038 -1.991 -11.647 1.00 0.00 C ATOM 1669 CG2 ILE A 102 -1.365 -0.207 -12.813 1.00 0.00 C ATOM 1670 CD1 ILE A 102 1.265 -1.359 -12.091 1.00 0.00 C ATOM 0 H ILE A 102 -1.528 -1.500 -8.942 1.00 0.00 H new ATOM 0 HA ILE A 102 -0.001 0.482 -10.481 1.00 0.00 H new ATOM 0 HB ILE A 102 -2.112 -1.545 -11.332 1.00 0.00 H new ATOM 0 HG12 ILE A 102 0.115 -2.482 -10.686 1.00 0.00 H new ATOM 0 HG13 ILE A 102 -0.318 -2.767 -12.360 1.00 0.00 H new ATOM 0 HG21 ILE A 102 -1.537 -0.899 -13.638 1.00 0.00 H new ATOM 0 HG22 ILE A 102 -2.218 0.465 -12.719 1.00 0.00 H new ATOM 0 HG23 ILE A 102 -0.464 0.375 -13.009 1.00 0.00 H new ATOM 0 HD11 ILE A 102 2.036 -2.126 -12.160 1.00 0.00 H new ATOM 0 HD12 ILE A 102 1.129 -0.892 -13.067 1.00 0.00 H new ATOM 0 HD13 ILE A 102 1.568 -0.603 -11.366 1.00 0.00 H new ATOM 1682 N LEU A 103 -1.702 2.257 -10.162 1.00 0.00 N ATOM 1683 CA LEU A 103 -2.678 3.342 -10.115 1.00 0.00 C ATOM 1684 C LEU A 103 -2.667 4.100 -11.433 1.00 0.00 C ATOM 1685 O LEU A 103 -1.643 4.154 -12.095 1.00 0.00 O ATOM 1686 CB LEU A 103 -2.385 4.296 -8.956 1.00 0.00 C ATOM 1687 CG LEU A 103 -3.072 3.943 -7.634 1.00 0.00 C ATOM 1688 CD1 LEU A 103 -2.800 5.014 -6.589 1.00 0.00 C ATOM 1689 CD2 LEU A 103 -4.570 3.770 -7.841 1.00 0.00 C ATOM 0 H LEU A 103 -0.730 2.563 -10.109 1.00 0.00 H new ATOM 0 HA LEU A 103 -3.666 2.910 -9.954 1.00 0.00 H new ATOM 0 HB2 LEU A 103 -1.308 4.323 -8.792 1.00 0.00 H new ATOM 0 HB3 LEU A 103 -2.688 5.301 -9.248 1.00 0.00 H new ATOM 0 HG LEU A 103 -2.662 2.999 -7.275 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -3.296 4.746 -5.656 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -1.726 5.093 -6.419 1.00 0.00 H new ATOM 0 HD13 LEU A 103 -3.183 5.972 -6.942 1.00 0.00 H new ATOM 0 HD21 LEU A 103 -5.042 3.519 -6.891 1.00 0.00 H new ATOM 0 HD22 LEU A 103 -4.994 4.699 -8.223 1.00 0.00 H new ATOM 0 HD23 LEU A 103 -4.748 2.968 -8.557 1.00 0.00 H new ATOM 1701 N ASN A 104 -3.811 4.667 -11.808 1.00 0.00 N ATOM 1702 CA ASN A 104 -3.959 5.418 -13.067 1.00 0.00 C ATOM 1703 C ASN A 104 -2.680 5.440 -13.917 1.00 0.00 C ATOM 1704 O ASN A 104 -1.914 6.404 -13.881 1.00 0.00 O ATOM 1705 CB ASN A 104 -4.374 6.856 -12.753 1.00 0.00 C ATOM 1706 CG ASN A 104 -5.318 7.426 -13.793 1.00 0.00 C ATOM 1707 OD1 ASN A 104 -4.895 7.835 -14.874 1.00 0.00 O ATOM 1708 ND2 ASN A 104 -6.606 7.457 -13.470 1.00 0.00 N ATOM 0 H ASN A 104 -4.665 4.623 -11.253 1.00 0.00 H new ATOM 0 HA ASN A 104 -4.723 4.905 -13.651 1.00 0.00 H new ATOM 0 HB2 ASN A 104 -4.854 6.887 -11.775 1.00 0.00 H new ATOM 0 HB3 ASN A 104 -3.484 7.483 -12.692 1.00 0.00 H new ATOM 0 HD21 ASN A 104 -7.288 7.831 -14.130 1.00 0.00 H new ATOM 0 HD22 ASN A 104 -6.913 7.107 -12.562 1.00 0.00 H new ATOM 1715 N GLY A 105 -2.476 4.372 -14.693 1.00 0.00 N ATOM 1716 CA GLY A 105 -1.311 4.266 -15.568 1.00 0.00 C ATOM 1717 C GLY A 105 -0.025 4.779 -14.944 1.00 0.00 C ATOM 1718 O GLY A 105 0.660 5.619 -15.527 1.00 0.00 O ATOM 0 H GLY A 105 -3.104 3.569 -14.731 1.00 0.00 H new ATOM 0 HA2 GLY A 105 -1.175 3.222 -15.851 1.00 0.00 H new ATOM 0 HA3 GLY A 105 -1.506 4.822 -16.485 1.00 0.00 H new ATOM 1722 N VAL A 106 0.299 4.272 -13.760 1.00 0.00 N ATOM 1723 CA VAL A 106 1.498 4.673 -13.040 1.00 0.00 C ATOM 1724 C VAL A 106 1.817 3.667 -11.938 1.00 0.00 C ATOM 1725 O VAL A 106 0.912 3.099 -11.325 1.00 0.00 O ATOM 1726 CB VAL A 106 1.324 6.070 -12.399 1.00 0.00 C ATOM 1727 CG1 VAL A 106 2.470 6.379 -11.446 1.00 0.00 C ATOM 1728 CG2 VAL A 106 1.211 7.146 -13.466 1.00 0.00 C ATOM 0 H VAL A 106 -0.262 3.572 -13.274 1.00 0.00 H new ATOM 0 HA VAL A 106 2.315 4.709 -13.761 1.00 0.00 H new ATOM 0 HB VAL A 106 0.398 6.061 -11.825 1.00 0.00 H new ATOM 0 HG11 VAL A 106 2.323 7.367 -11.009 1.00 0.00 H new ATOM 0 HG12 VAL A 106 2.495 5.631 -10.653 1.00 0.00 H new ATOM 0 HG13 VAL A 106 3.413 6.360 -11.993 1.00 0.00 H new ATOM 0 HG21 VAL A 106 1.089 8.119 -12.990 1.00 0.00 H new ATOM 0 HG22 VAL A 106 2.115 7.151 -14.075 1.00 0.00 H new ATOM 0 HG23 VAL A 106 0.348 6.941 -14.099 1.00 0.00 H new ATOM 1738 N CYS A 107 3.101 3.467 -11.674 1.00 0.00 N ATOM 1739 CA CYS A 107 3.521 2.547 -10.627 1.00 0.00 C ATOM 1740 C CYS A 107 3.542 3.273 -9.289 1.00 0.00 C ATOM 1741 O CYS A 107 4.424 4.094 -9.031 1.00 0.00 O ATOM 1742 CB CYS A 107 4.902 1.966 -10.939 1.00 0.00 C ATOM 1743 SG CYS A 107 5.523 0.825 -9.682 1.00 0.00 S ATOM 0 H CYS A 107 3.866 3.927 -12.168 1.00 0.00 H new ATOM 0 HA CYS A 107 2.811 1.722 -10.577 1.00 0.00 H new ATOM 0 HB2 CYS A 107 4.858 1.446 -11.896 1.00 0.00 H new ATOM 0 HB3 CYS A 107 5.612 2.785 -11.053 1.00 0.00 H new ATOM 0 HG CYS A 107 6.694 0.386 -10.036 1.00 0.00 H new ATOM 1749 N VAL A 108 2.552 2.989 -8.452 1.00 0.00 N ATOM 1750 CA VAL A 108 2.446 3.641 -7.155 1.00 0.00 C ATOM 1751 C VAL A 108 2.769 2.691 -6.008 1.00 0.00 C ATOM 1752 O VAL A 108 2.928 1.486 -6.203 1.00 0.00 O ATOM 1753 CB VAL A 108 1.038 4.220 -6.945 1.00 0.00 C ATOM 1754 CG1 VAL A 108 0.757 5.316 -7.963 1.00 0.00 C ATOM 1755 CG2 VAL A 108 -0.004 3.118 -7.035 1.00 0.00 C ATOM 0 H VAL A 108 1.813 2.313 -8.648 1.00 0.00 H new ATOM 0 HA VAL A 108 3.179 4.448 -7.153 1.00 0.00 H new ATOM 0 HB VAL A 108 0.985 4.660 -5.949 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -0.244 5.715 -7.801 1.00 0.00 H new ATOM 0 HG12 VAL A 108 1.490 6.115 -7.849 1.00 0.00 H new ATOM 0 HG13 VAL A 108 0.824 4.903 -8.970 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -0.997 3.543 -6.884 1.00 0.00 H new ATOM 0 HG22 VAL A 108 0.045 2.650 -8.018 1.00 0.00 H new ATOM 0 HG23 VAL A 108 0.191 2.369 -6.267 1.00 0.00 H new ATOM 1765 N ILE A 109 2.870 3.259 -4.813 1.00 0.00 N ATOM 1766 CA ILE A 109 3.182 2.497 -3.614 1.00 0.00 C ATOM 1767 C ILE A 109 2.437 3.064 -2.410 1.00 0.00 C ATOM 1768 O ILE A 109 2.745 4.162 -1.945 1.00 0.00 O ATOM 1769 CB ILE A 109 4.694 2.530 -3.303 1.00 0.00 C ATOM 1770 CG1 ILE A 109 5.526 2.558 -4.592 1.00 0.00 C ATOM 1771 CG2 ILE A 109 5.081 1.338 -2.440 1.00 0.00 C ATOM 1772 CD1 ILE A 109 5.546 1.243 -5.342 1.00 0.00 C ATOM 0 H ILE A 109 2.738 4.257 -4.649 1.00 0.00 H new ATOM 0 HA ILE A 109 2.872 1.469 -3.801 1.00 0.00 H new ATOM 0 HB ILE A 109 4.907 3.445 -2.751 1.00 0.00 H new ATOM 0 HG12 ILE A 109 5.132 3.333 -5.249 1.00 0.00 H new ATOM 0 HG13 ILE A 109 6.550 2.839 -4.345 1.00 0.00 H new ATOM 0 HG21 ILE A 109 6.150 1.374 -2.228 1.00 0.00 H new ATOM 0 HG22 ILE A 109 4.524 1.371 -1.503 1.00 0.00 H new ATOM 0 HG23 ILE A 109 4.847 0.414 -2.969 1.00 0.00 H new ATOM 0 HD11 ILE A 109 6.155 1.346 -6.240 1.00 0.00 H new ATOM 0 HD12 ILE A 109 5.969 0.467 -4.704 1.00 0.00 H new ATOM 0 HD13 ILE A 109 4.529 0.969 -5.622 1.00 0.00 H new ATOM 1784 N TRP A 110 1.465 2.316 -1.898 1.00 0.00 N ATOM 1785 CA TRP A 110 0.703 2.767 -0.741 1.00 0.00 C ATOM 1786 C TRP A 110 1.328 2.250 0.547 1.00 0.00 C ATOM 1787 O TRP A 110 1.506 1.044 0.720 1.00 0.00 O ATOM 1788 CB TRP A 110 -0.756 2.311 -0.822 1.00 0.00 C ATOM 1789 CG TRP A 110 -1.585 2.841 0.309 1.00 0.00 C ATOM 1790 CD1 TRP A 110 -2.402 3.935 0.282 1.00 0.00 C ATOM 1791 CD2 TRP A 110 -1.664 2.312 1.640 1.00 0.00 C ATOM 1792 NE1 TRP A 110 -2.984 4.122 1.513 1.00 0.00 N ATOM 1793 CE2 TRP A 110 -2.547 3.138 2.364 1.00 0.00 C ATOM 1794 CE3 TRP A 110 -1.077 1.221 2.291 1.00 0.00 C ATOM 1795 CZ2 TRP A 110 -2.853 2.907 3.705 1.00 0.00 C ATOM 1796 CZ3 TRP A 110 -1.382 0.998 3.619 1.00 0.00 C ATOM 1797 CH2 TRP A 110 -2.259 1.833 4.314 1.00 0.00 C ATOM 0 H TRP A 110 1.189 1.404 -2.262 1.00 0.00 H new ATOM 0 HA TRP A 110 0.725 3.857 -0.740 1.00 0.00 H new ATOM 0 HB2 TRP A 110 -1.185 2.641 -1.768 1.00 0.00 H new ATOM 0 HB3 TRP A 110 -0.794 1.222 -0.817 1.00 0.00 H new ATOM 0 HD1 TRP A 110 -2.567 4.562 -0.582 1.00 0.00 H new ATOM 0 HE1 TRP A 110 -3.634 4.870 1.755 1.00 0.00 H new ATOM 0 HE3 TRP A 110 -0.398 0.566 1.765 1.00 0.00 H new ATOM 0 HZ2 TRP A 110 -3.533 3.551 4.243 1.00 0.00 H new ATOM 0 HZ3 TRP A 110 -0.933 0.160 4.131 1.00 0.00 H new ATOM 0 HH2 TRP A 110 -2.473 1.628 5.352 1.00 0.00 H new ATOM 1808 N LYS A 111 1.658 3.165 1.450 1.00 0.00 N ATOM 1809 CA LYS A 111 2.260 2.791 2.719 1.00 0.00 C ATOM 1810 C LYS A 111 1.616 3.560 3.866 1.00 0.00 C ATOM 1811 O LYS A 111 1.379 4.764 3.768 1.00 0.00 O ATOM 1812 CB LYS A 111 3.771 3.038 2.679 1.00 0.00 C ATOM 1813 CG LYS A 111 4.435 3.037 4.045 1.00 0.00 C ATOM 1814 CD LYS A 111 4.383 4.417 4.675 1.00 0.00 C ATOM 1815 CE LYS A 111 4.242 4.336 6.186 1.00 0.00 C ATOM 1816 NZ LYS A 111 4.588 5.627 6.844 1.00 0.00 N ATOM 0 H LYS A 111 1.519 4.168 1.326 1.00 0.00 H new ATOM 0 HA LYS A 111 2.088 1.728 2.888 1.00 0.00 H new ATOM 0 HB2 LYS A 111 4.237 2.272 2.059 1.00 0.00 H new ATOM 0 HB3 LYS A 111 3.959 3.997 2.196 1.00 0.00 H new ATOM 0 HG2 LYS A 111 3.937 2.317 4.695 1.00 0.00 H new ATOM 0 HG3 LYS A 111 5.472 2.716 3.949 1.00 0.00 H new ATOM 0 HD2 LYS A 111 5.289 4.968 4.422 1.00 0.00 H new ATOM 0 HD3 LYS A 111 3.544 4.976 4.260 1.00 0.00 H new ATOM 0 HE2 LYS A 111 3.219 4.061 6.441 1.00 0.00 H new ATOM 0 HE3 LYS A 111 4.889 3.547 6.570 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 4.480 5.532 7.874 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 5.573 5.877 6.621 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 3.954 6.375 6.497 1.00 0.00 H new ATOM 1830 N GLY A 112 1.331 2.853 4.954 1.00 0.00 N ATOM 1831 CA GLY A 112 0.713 3.488 6.106 1.00 0.00 C ATOM 1832 C GLY A 112 0.664 2.581 7.319 1.00 0.00 C ATOM 1833 O GLY A 112 0.749 1.360 7.191 1.00 0.00 O ATOM 0 H GLY A 112 1.515 1.855 5.060 1.00 0.00 H new ATOM 0 HA2 GLY A 112 1.266 4.393 6.357 1.00 0.00 H new ATOM 0 HA3 GLY A 112 -0.300 3.795 5.846 1.00 0.00 H new ATOM 1837 N TRP A 113 0.524 3.179 8.503 1.00 0.00 N ATOM 1838 CA TRP A 113 0.461 2.406 9.738 1.00 0.00 C ATOM 1839 C TRP A 113 -0.941 2.427 10.333 1.00 0.00 C ATOM 1840 O TRP A 113 -1.668 3.415 10.216 1.00 0.00 O ATOM 1841 CB TRP A 113 1.473 2.923 10.767 1.00 0.00 C ATOM 1842 CG TRP A 113 1.270 4.355 11.158 1.00 0.00 C ATOM 1843 CD1 TRP A 113 2.025 5.424 10.772 1.00 0.00 C ATOM 1844 CD2 TRP A 113 0.255 4.870 12.027 1.00 0.00 C ATOM 1845 NE1 TRP A 113 1.537 6.576 11.341 1.00 0.00 N ATOM 1846 CE2 TRP A 113 0.451 6.262 12.115 1.00 0.00 C ATOM 1847 CE3 TRP A 113 -0.801 4.292 12.734 1.00 0.00 C ATOM 1848 CZ2 TRP A 113 -0.371 7.082 12.885 1.00 0.00 C ATOM 1849 CZ3 TRP A 113 -1.615 5.106 13.498 1.00 0.00 C ATOM 1850 CH2 TRP A 113 -1.397 6.488 13.569 1.00 0.00 C ATOM 0 H TRP A 113 0.453 4.189 8.630 1.00 0.00 H new ATOM 0 HA TRP A 113 0.715 1.376 9.487 1.00 0.00 H new ATOM 0 HB2 TRP A 113 1.416 2.302 11.661 1.00 0.00 H new ATOM 0 HB3 TRP A 113 2.478 2.807 10.362 1.00 0.00 H new ATOM 0 HD1 TRP A 113 2.881 5.372 10.115 1.00 0.00 H new ATOM 0 HE1 TRP A 113 1.921 7.512 11.209 1.00 0.00 H new ATOM 0 HE3 TRP A 113 -0.978 3.228 12.685 1.00 0.00 H new ATOM 0 HZ2 TRP A 113 -0.205 8.148 12.940 1.00 0.00 H new ATOM 0 HZ3 TRP A 113 -2.434 4.669 14.050 1.00 0.00 H new ATOM 0 HH2 TRP A 113 -2.051 7.097 14.175 1.00 0.00 H new ATOM 1861 N ILE A 114 -1.303 1.326 10.985 1.00 0.00 N ATOM 1862 CA ILE A 114 -2.608 1.198 11.623 1.00 0.00 C ATOM 1863 C ILE A 114 -2.434 0.966 13.116 1.00 0.00 C ATOM 1864 O ILE A 114 -1.466 0.336 13.541 1.00 0.00 O ATOM 1865 CB ILE A 114 -3.443 0.030 11.043 1.00 0.00 C ATOM 1866 CG1 ILE A 114 -3.027 -0.299 9.605 1.00 0.00 C ATOM 1867 CG2 ILE A 114 -4.925 0.364 11.102 1.00 0.00 C ATOM 1868 CD1 ILE A 114 -3.195 0.861 8.648 1.00 0.00 C ATOM 0 H ILE A 114 -0.706 0.505 11.085 1.00 0.00 H new ATOM 0 HA ILE A 114 -3.142 2.128 11.430 1.00 0.00 H new ATOM 0 HB ILE A 114 -3.252 -0.853 11.653 1.00 0.00 H new ATOM 0 HG12 ILE A 114 -1.984 -0.616 9.600 1.00 0.00 H new ATOM 0 HG13 ILE A 114 -3.618 -1.143 9.248 1.00 0.00 H new ATOM 0 HG21 ILE A 114 -5.501 -0.465 10.691 1.00 0.00 H new ATOM 0 HG22 ILE A 114 -5.219 0.532 12.138 1.00 0.00 H new ATOM 0 HG23 ILE A 114 -5.119 1.264 10.519 1.00 0.00 H new ATOM 0 HD11 ILE A 114 -2.882 0.557 7.649 1.00 0.00 H new ATOM 0 HD12 ILE A 114 -4.242 1.164 8.623 1.00 0.00 H new ATOM 0 HD13 ILE A 114 -2.583 1.699 8.981 1.00 0.00 H new ATOM 1880 N ASP A 115 -3.373 1.460 13.912 1.00 0.00 N ATOM 1881 CA ASP A 115 -3.294 1.283 15.353 1.00 0.00 C ATOM 1882 C ASP A 115 -3.917 -0.056 15.746 1.00 0.00 C ATOM 1883 O ASP A 115 -4.994 -0.419 15.269 1.00 0.00 O ATOM 1884 CB ASP A 115 -3.963 2.460 16.081 1.00 0.00 C ATOM 1885 CG ASP A 115 -5.453 2.280 16.283 1.00 0.00 C ATOM 1886 OD1 ASP A 115 -5.851 1.237 16.830 1.00 0.00 O ATOM 1887 OD2 ASP A 115 -6.221 3.187 15.901 1.00 0.00 O ATOM 0 H ASP A 115 -4.188 1.980 13.588 1.00 0.00 H new ATOM 0 HA ASP A 115 -2.247 1.270 15.657 1.00 0.00 H new ATOM 0 HB2 ASP A 115 -3.487 2.594 17.052 1.00 0.00 H new ATOM 0 HB3 ASP A 115 -3.790 3.374 15.513 1.00 0.00 H new ATOM 1892 N LEU A 116 -3.208 -0.794 16.590 1.00 0.00 N ATOM 1893 CA LEU A 116 -3.651 -2.114 17.027 1.00 0.00 C ATOM 1894 C LEU A 116 -4.718 -2.052 18.122 1.00 0.00 C ATOM 1895 O LEU A 116 -5.042 -3.071 18.733 1.00 0.00 O ATOM 1896 CB LEU A 116 -2.445 -2.919 17.512 1.00 0.00 C ATOM 1897 CG LEU A 116 -1.184 -2.770 16.651 1.00 0.00 C ATOM 1898 CD1 LEU A 116 0.061 -2.679 17.524 1.00 0.00 C ATOM 1899 CD2 LEU A 116 -1.067 -3.927 15.666 1.00 0.00 C ATOM 0 H LEU A 116 -2.317 -0.499 16.989 1.00 0.00 H new ATOM 0 HA LEU A 116 -4.113 -2.603 16.170 1.00 0.00 H new ATOM 0 HB2 LEU A 116 -2.210 -2.615 18.532 1.00 0.00 H new ATOM 0 HB3 LEU A 116 -2.720 -3.973 17.549 1.00 0.00 H new ATOM 0 HG LEU A 116 -1.268 -1.843 16.083 1.00 0.00 H new ATOM 0 HD11 LEU A 116 0.942 -2.574 16.891 1.00 0.00 H new ATOM 0 HD12 LEU A 116 -0.019 -1.814 18.182 1.00 0.00 H new ATOM 0 HD13 LEU A 116 0.151 -3.584 18.124 1.00 0.00 H new ATOM 0 HD21 LEU A 116 -0.166 -3.803 15.065 1.00 0.00 H new ATOM 0 HD22 LEU A 116 -1.011 -4.867 16.214 1.00 0.00 H new ATOM 0 HD23 LEU A 116 -1.940 -3.939 15.014 1.00 0.00 H new ATOM 1911 N HIS A 117 -5.275 -0.868 18.365 1.00 0.00 N ATOM 1912 CA HIS A 117 -6.311 -0.715 19.382 1.00 0.00 C ATOM 1913 C HIS A 117 -7.647 -0.365 18.731 1.00 0.00 C ATOM 1914 O HIS A 117 -8.612 -1.126 18.808 1.00 0.00 O ATOM 1915 CB HIS A 117 -5.910 0.371 20.387 1.00 0.00 C ATOM 1916 CG HIS A 117 -6.989 0.714 21.368 1.00 0.00 C ATOM 1917 ND1 HIS A 117 -6.853 0.539 22.730 1.00 0.00 N ATOM 1918 CD2 HIS A 117 -8.228 1.226 21.178 1.00 0.00 C ATOM 1919 CE1 HIS A 117 -7.963 0.928 23.334 1.00 0.00 C ATOM 1920 NE2 HIS A 117 -8.811 1.349 22.415 1.00 0.00 N ATOM 0 H HIS A 117 -5.029 -0.007 17.876 1.00 0.00 H new ATOM 0 HA HIS A 117 -6.420 -1.661 19.913 1.00 0.00 H new ATOM 0 HB2 HIS A 117 -5.027 0.039 20.933 1.00 0.00 H new ATOM 0 HB3 HIS A 117 -5.628 1.272 19.842 1.00 0.00 H new ATOM 0 HD2 HIS A 117 -8.674 1.489 20.230 1.00 0.00 H new ATOM 0 HE1 HIS A 117 -8.145 0.905 24.398 1.00 0.00 H new ATOM 0 HE2 HIS A 117 -9.749 1.708 22.595 1.00 0.00 H new ATOM 1929 N ARG A 118 -7.683 0.794 18.087 1.00 0.00 N ATOM 1930 CA ARG A 118 -8.883 1.271 17.406 1.00 0.00 C ATOM 1931 C ARG A 118 -8.940 0.765 15.963 1.00 0.00 C ATOM 1932 O ARG A 118 -10.000 0.789 15.338 1.00 0.00 O ATOM 1933 CB ARG A 118 -8.946 2.807 17.414 1.00 0.00 C ATOM 1934 CG ARG A 118 -7.940 3.476 18.342 1.00 0.00 C ATOM 1935 CD ARG A 118 -8.025 4.993 18.259 1.00 0.00 C ATOM 1936 NE ARG A 118 -8.366 5.594 19.548 1.00 0.00 N ATOM 1937 CZ ARG A 118 -9.611 5.731 19.999 1.00 0.00 C ATOM 1938 NH1 ARG A 118 -10.640 5.313 19.273 1.00 0.00 N ATOM 1939 NH2 ARG A 118 -9.828 6.290 21.182 1.00 0.00 N ATOM 0 H ARG A 118 -6.887 1.428 18.021 1.00 0.00 H new ATOM 0 HA ARG A 118 -9.741 0.877 17.950 1.00 0.00 H new ATOM 0 HB2 ARG A 118 -8.782 3.170 16.399 1.00 0.00 H new ATOM 0 HB3 ARG A 118 -9.950 3.115 17.705 1.00 0.00 H new ATOM 0 HG2 ARG A 118 -8.122 3.156 19.368 1.00 0.00 H new ATOM 0 HG3 ARG A 118 -6.932 3.153 18.081 1.00 0.00 H new ATOM 0 HD2 ARG A 118 -7.071 5.391 17.914 1.00 0.00 H new ATOM 0 HD3 ARG A 118 -8.774 5.274 17.518 1.00 0.00 H new ATOM 0 HE ARG A 118 -7.604 5.929 20.137 1.00 0.00 H new ATOM 0 HH11 ARG A 118 -10.480 4.883 18.362 1.00 0.00 H new ATOM 0 HH12 ARG A 118 -11.591 5.422 19.626 1.00 0.00 H new ATOM 0 HH21 ARG A 118 -9.042 6.614 21.745 1.00 0.00 H new ATOM 0 HH22 ARG A 118 -10.781 6.396 21.529 1.00 0.00 H new ATOM 1953 N LEU A 119 -7.797 0.314 15.437 1.00 0.00 N ATOM 1954 CA LEU A 119 -7.718 -0.191 14.064 1.00 0.00 C ATOM 1955 C LEU A 119 -7.687 0.950 13.049 1.00 0.00 C ATOM 1956 O LEU A 119 -7.988 0.761 11.867 1.00 0.00 O ATOM 1957 CB LEU A 119 -8.888 -1.129 13.767 1.00 0.00 C ATOM 1958 CG LEU A 119 -9.148 -2.209 14.827 1.00 0.00 C ATOM 1959 CD1 LEU A 119 -9.989 -3.340 14.251 1.00 0.00 C ATOM 1960 CD2 LEU A 119 -7.837 -2.755 15.379 1.00 0.00 C ATOM 0 H LEU A 119 -6.912 0.289 15.943 1.00 0.00 H new ATOM 0 HA LEU A 119 -6.786 -0.749 13.973 1.00 0.00 H new ATOM 0 HB2 LEU A 119 -9.792 -0.531 13.652 1.00 0.00 H new ATOM 0 HB3 LEU A 119 -8.706 -1.618 12.810 1.00 0.00 H new ATOM 0 HG LEU A 119 -9.701 -1.748 15.645 1.00 0.00 H new ATOM 0 HD11 LEU A 119 -10.161 -4.094 15.020 1.00 0.00 H new ATOM 0 HD12 LEU A 119 -10.946 -2.945 13.910 1.00 0.00 H new ATOM 0 HD13 LEU A 119 -9.463 -3.793 13.410 1.00 0.00 H new ATOM 0 HD21 LEU A 119 -8.047 -3.518 16.128 1.00 0.00 H new ATOM 0 HD22 LEU A 119 -7.255 -3.193 14.568 1.00 0.00 H new ATOM 0 HD23 LEU A 119 -7.269 -1.945 15.836 1.00 0.00 H new ATOM 1972 N ASP A 120 -7.306 2.129 13.519 1.00 0.00 N ATOM 1973 CA ASP A 120 -7.211 3.309 12.666 1.00 0.00 C ATOM 1974 C ASP A 120 -5.819 3.924 12.774 1.00 0.00 C ATOM 1975 O ASP A 120 -5.187 3.855 13.828 1.00 0.00 O ATOM 1976 CB ASP A 120 -8.271 4.340 13.058 1.00 0.00 C ATOM 1977 CG ASP A 120 -9.676 3.770 13.020 1.00 0.00 C ATOM 1978 OD1 ASP A 120 -9.925 2.861 12.200 1.00 0.00 O ATOM 1979 OD2 ASP A 120 -10.526 4.232 13.809 1.00 0.00 O ATOM 0 H ASP A 120 -7.056 2.296 14.494 1.00 0.00 H new ATOM 0 HA ASP A 120 -7.386 3.005 11.634 1.00 0.00 H new ATOM 0 HB2 ASP A 120 -8.060 4.711 14.061 1.00 0.00 H new ATOM 0 HB3 ASP A 120 -8.210 5.194 12.383 1.00 0.00 H new ATOM 1984 N GLY A 121 -5.335 4.518 11.689 1.00 0.00 N ATOM 1985 CA GLY A 121 -4.014 5.118 11.719 1.00 0.00 C ATOM 1986 C GLY A 121 -3.804 6.164 10.645 1.00 0.00 C ATOM 1987 O GLY A 121 -4.726 6.901 10.293 1.00 0.00 O ATOM 0 H GLY A 121 -5.827 4.595 10.799 1.00 0.00 H new ATOM 0 HA2 GLY A 121 -3.852 5.574 12.696 1.00 0.00 H new ATOM 0 HA3 GLY A 121 -3.265 4.335 11.604 1.00 0.00 H new ATOM 1991 N MET A 122 -2.579 6.234 10.129 1.00 0.00 N ATOM 1992 CA MET A 122 -2.236 7.202 9.093 1.00 0.00 C ATOM 1993 C MET A 122 -1.481 6.530 7.950 1.00 0.00 C ATOM 1994 O MET A 122 -0.631 5.670 8.177 1.00 0.00 O ATOM 1995 CB MET A 122 -1.389 8.332 9.681 1.00 0.00 C ATOM 1996 CG MET A 122 -2.060 9.054 10.840 1.00 0.00 C ATOM 1997 SD MET A 122 -2.605 10.717 10.403 1.00 0.00 S ATOM 1998 CE MET A 122 -1.207 11.689 10.955 1.00 0.00 C ATOM 0 H MET A 122 -1.807 5.630 10.413 1.00 0.00 H new ATOM 0 HA MET A 122 -3.163 7.618 8.699 1.00 0.00 H new ATOM 0 HB2 MET A 122 -0.437 7.923 10.020 1.00 0.00 H new ATOM 0 HB3 MET A 122 -1.164 9.053 8.895 1.00 0.00 H new ATOM 0 HG2 MET A 122 -2.918 8.472 11.177 1.00 0.00 H new ATOM 0 HG3 MET A 122 -1.365 9.112 11.678 1.00 0.00 H new ATOM 0 HE1 MET A 122 -1.394 12.743 10.752 1.00 0.00 H new ATOM 0 HE2 MET A 122 -1.064 11.545 12.026 1.00 0.00 H new ATOM 0 HE3 MET A 122 -0.310 11.371 10.423 1.00 0.00 H new ATOM 2008 N GLY A 123 -1.797 6.928 6.722 1.00 0.00 N ATOM 2009 CA GLY A 123 -1.137 6.353 5.565 1.00 0.00 C ATOM 2010 C GLY A 123 -0.607 7.406 4.616 1.00 0.00 C ATOM 2011 O GLY A 123 -0.533 8.585 4.963 1.00 0.00 O ATOM 0 H GLY A 123 -2.498 7.638 6.508 1.00 0.00 H new ATOM 0 HA2 GLY A 123 -0.314 5.721 5.898 1.00 0.00 H new ATOM 0 HA3 GLY A 123 -1.838 5.710 5.033 1.00 0.00 H new ATOM 2015 N CYS A 124 -0.233 6.979 3.414 1.00 0.00 N ATOM 2016 CA CYS A 124 0.300 7.891 2.408 1.00 0.00 C ATOM 2017 C CYS A 124 0.630 7.148 1.118 1.00 0.00 C ATOM 2018 O CYS A 124 0.917 5.951 1.136 1.00 0.00 O ATOM 2019 CB CYS A 124 1.556 8.590 2.938 1.00 0.00 C ATOM 2020 SG CYS A 124 2.974 7.491 3.174 1.00 0.00 S ATOM 0 H CYS A 124 -0.289 6.006 3.113 1.00 0.00 H new ATOM 0 HA CYS A 124 -0.464 8.638 2.192 1.00 0.00 H new ATOM 0 HB2 CYS A 124 1.837 9.383 2.245 1.00 0.00 H new ATOM 0 HB3 CYS A 124 1.319 9.067 3.889 1.00 0.00 H new ATOM 0 HG CYS A 124 2.560 6.262 3.269 1.00 0.00 H new ATOM 2026 N LEU A 125 0.599 7.866 0.001 1.00 0.00 N ATOM 2027 CA LEU A 125 0.909 7.268 -1.295 1.00 0.00 C ATOM 2028 C LEU A 125 2.287 7.720 -1.775 1.00 0.00 C ATOM 2029 O LEU A 125 2.789 8.760 -1.352 1.00 0.00 O ATOM 2030 CB LEU A 125 -0.158 7.636 -2.332 1.00 0.00 C ATOM 2031 CG LEU A 125 -1.408 6.751 -2.329 1.00 0.00 C ATOM 2032 CD1 LEU A 125 -2.433 7.269 -3.329 1.00 0.00 C ATOM 2033 CD2 LEU A 125 -1.037 5.309 -2.639 1.00 0.00 C ATOM 0 H LEU A 125 0.364 8.858 -0.035 1.00 0.00 H new ATOM 0 HA LEU A 125 0.916 6.184 -1.176 1.00 0.00 H new ATOM 0 HB2 LEU A 125 -0.464 8.669 -2.163 1.00 0.00 H new ATOM 0 HB3 LEU A 125 0.293 7.595 -3.323 1.00 0.00 H new ATOM 0 HG LEU A 125 -1.854 6.786 -1.335 1.00 0.00 H new ATOM 0 HD11 LEU A 125 -3.314 6.627 -3.312 1.00 0.00 H new ATOM 0 HD12 LEU A 125 -2.720 8.286 -3.062 1.00 0.00 H new ATOM 0 HD13 LEU A 125 -2.000 7.265 -4.329 1.00 0.00 H new ATOM 0 HD21 LEU A 125 -1.936 4.693 -2.633 1.00 0.00 H new ATOM 0 HD22 LEU A 125 -0.568 5.257 -3.622 1.00 0.00 H new ATOM 0 HD23 LEU A 125 -0.341 4.942 -1.885 1.00 0.00 H new ATOM 2045 N GLU A 126 2.897 6.932 -2.652 1.00 0.00 N ATOM 2046 CA GLU A 126 4.217 7.253 -3.182 1.00 0.00 C ATOM 2047 C GLU A 126 4.373 6.692 -4.588 1.00 0.00 C ATOM 2048 O GLU A 126 3.674 5.758 -4.968 1.00 0.00 O ATOM 2049 CB GLU A 126 5.309 6.692 -2.266 1.00 0.00 C ATOM 2050 CG GLU A 126 5.980 7.750 -1.406 1.00 0.00 C ATOM 2051 CD GLU A 126 7.003 7.163 -0.453 1.00 0.00 C ATOM 2052 OE1 GLU A 126 6.617 6.789 0.675 1.00 0.00 O ATOM 2053 OE2 GLU A 126 8.189 7.076 -0.834 1.00 0.00 O ATOM 0 H GLU A 126 2.498 6.065 -3.012 1.00 0.00 H new ATOM 0 HA GLU A 126 4.319 8.337 -3.225 1.00 0.00 H new ATOM 0 HB2 GLU A 126 4.874 5.931 -1.618 1.00 0.00 H new ATOM 0 HB3 GLU A 126 6.065 6.197 -2.876 1.00 0.00 H new ATOM 0 HG2 GLU A 126 6.467 8.482 -2.051 1.00 0.00 H new ATOM 0 HG3 GLU A 126 5.221 8.284 -0.835 1.00 0.00 H new ATOM 2060 N PHE A 127 5.286 7.260 -5.364 1.00 0.00 N ATOM 2061 CA PHE A 127 5.514 6.796 -6.719 1.00 0.00 C ATOM 2062 C PHE A 127 6.903 6.168 -6.826 1.00 0.00 C ATOM 2063 O PHE A 127 7.870 6.683 -6.264 1.00 0.00 O ATOM 2064 CB PHE A 127 5.342 7.961 -7.699 1.00 0.00 C ATOM 2065 CG PHE A 127 6.071 7.791 -8.995 1.00 0.00 C ATOM 2066 CD1 PHE A 127 7.444 7.912 -9.040 1.00 0.00 C ATOM 2067 CD2 PHE A 127 5.383 7.513 -10.163 1.00 0.00 C ATOM 2068 CE1 PHE A 127 8.125 7.757 -10.230 1.00 0.00 C ATOM 2069 CE2 PHE A 127 6.058 7.359 -11.357 1.00 0.00 C ATOM 2070 CZ PHE A 127 7.433 7.481 -11.390 1.00 0.00 C ATOM 0 H PHE A 127 5.877 8.040 -5.077 1.00 0.00 H new ATOM 0 HA PHE A 127 4.782 6.030 -6.976 1.00 0.00 H new ATOM 0 HB2 PHE A 127 4.280 8.091 -7.908 1.00 0.00 H new ATOM 0 HB3 PHE A 127 5.687 8.877 -7.220 1.00 0.00 H new ATOM 0 HD1 PHE A 127 7.992 8.130 -8.135 1.00 0.00 H new ATOM 0 HD2 PHE A 127 4.308 7.416 -10.140 1.00 0.00 H new ATOM 0 HE1 PHE A 127 9.201 7.852 -10.253 1.00 0.00 H new ATOM 0 HE2 PHE A 127 5.512 7.144 -12.264 1.00 0.00 H new ATOM 0 HZ PHE A 127 7.965 7.361 -12.322 1.00 0.00 H new ATOM 2080 N ASP A 128 6.993 5.049 -7.535 1.00 0.00 N ATOM 2081 CA ASP A 128 8.261 4.347 -7.697 1.00 0.00 C ATOM 2082 C ASP A 128 9.021 4.842 -8.924 1.00 0.00 C ATOM 2083 O ASP A 128 8.571 4.670 -10.056 1.00 0.00 O ATOM 2084 CB ASP A 128 8.019 2.839 -7.804 1.00 0.00 C ATOM 2085 CG ASP A 128 8.756 2.057 -6.734 1.00 0.00 C ATOM 2086 OD1 ASP A 128 8.750 2.498 -5.566 1.00 0.00 O ATOM 2087 OD2 ASP A 128 9.338 1.002 -7.064 1.00 0.00 O ATOM 0 H ASP A 128 6.203 4.608 -8.007 1.00 0.00 H new ATOM 0 HA ASP A 128 8.871 4.554 -6.818 1.00 0.00 H new ATOM 0 HB2 ASP A 128 6.950 2.639 -7.725 1.00 0.00 H new ATOM 0 HB3 ASP A 128 8.336 2.492 -8.787 1.00 0.00 H new ATOM 2092 N GLU A 129 10.180 5.451 -8.688 1.00 0.00 N ATOM 2093 CA GLU A 129 11.011 5.965 -9.771 1.00 0.00 C ATOM 2094 C GLU A 129 11.888 4.859 -10.347 1.00 0.00 C ATOM 2095 O GLU A 129 12.223 4.871 -11.532 1.00 0.00 O ATOM 2096 CB GLU A 129 11.890 7.116 -9.270 1.00 0.00 C ATOM 2097 CG GLU A 129 11.182 8.462 -9.230 1.00 0.00 C ATOM 2098 CD GLU A 129 12.031 9.549 -8.604 1.00 0.00 C ATOM 2099 OE1 GLU A 129 12.846 9.227 -7.714 1.00 0.00 O ATOM 2100 OE2 GLU A 129 11.883 10.723 -9.005 1.00 0.00 O ATOM 0 H GLU A 129 10.565 5.600 -7.755 1.00 0.00 H new ATOM 0 HA GLU A 129 10.353 6.336 -10.557 1.00 0.00 H new ATOM 0 HB2 GLU A 129 12.250 6.876 -8.269 1.00 0.00 H new ATOM 0 HB3 GLU A 129 12.767 7.197 -9.913 1.00 0.00 H new ATOM 0 HG2 GLU A 129 10.912 8.756 -10.244 1.00 0.00 H new ATOM 0 HG3 GLU A 129 10.253 8.363 -8.668 1.00 0.00 H new