USER MOD reduce.3.24.130724 H: found=0, std=0, add=899, rem=0, adj=22 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= -2.04! C(o=-2!,f=-6.8!) USER MOD Single : A 10 SER OG : rot -174:sc= -1.73 USER MOD Single : A 11 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.0853) USER MOD Single : A 14 ASN : amide:sc= -0.0152 X(o=-0.015,f=-0.51) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 SER OG : rot 3:sc= 0.564! USER MOD Single : A 25 CYS SG : rot -122:sc=0.000866 USER MOD Single : A 28 LYS NZ :NH3+ -155:sc= -0.0114 (180deg=-0.32) USER MOD Single : A 29 TYR OH : rot -150:sc= 0.357 USER MOD Single : A 30 THR OG1 : rot 64:sc= -2.56! USER MOD Single : A 37 HIS : no HE2:sc= -5.15! C(o=-5.1!,f=-6.2!) USER MOD Single : A 41 GLN : amide:sc= -1.03 K(o=-1,f=0.0065!) USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 GLN : amide:sc= -2.67 K(o=-2.7,f=-1.8) USER MOD Single : A 46 ASN : amide:sc= -2.98 K(o=-3,f=-6.1!) USER MOD Single : A 48 CYS SG : rot 170:sc= 0 USER MOD Single : A 53 SER OG : rot -146:sc= -3.33! 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= -0.914 K(o=-0.91,f=-8.8!) USER MOD Single : A 65 SER OG : rot -46:sc= 1 USER MOD Single : A 67 GLN : amide:sc= 0 K(o=0,f=-0.52) USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 82 SER OG : rot 180:sc= -0.0493 USER MOD Single : A 85 TYR OH : rot 180:sc= 0 USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 TYR OH : rot 180:sc= 0 USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 104 ASN : amide:sc= 0 X(o=0,f=-0.016) USER MOD Single : A 107 CYS SG : rot 180:sc= 0 USER MOD Single : A 111 LYS NZ :NH3+ -146:sc= -0.244 (180deg=-1.35!) USER MOD Single : A 117 HIS : no HD1:sc= -0.911 K(o=-0.91,f=-0.24) USER MOD Single : A 122 MET CE :methyl 146:sc= -0.53 (180deg=-2.12!) USER MOD Single : A 124 CYS SG : rot 18:sc= -0.826 USER MOD ----------------------------------------------------------------- ATOM 58 N VAL A 4 1.657 2.762 -18.698 1.00 0.00 N ATOM 59 CA VAL A 4 2.672 3.733 -18.318 1.00 0.00 C ATOM 60 C VAL A 4 2.557 5.004 -19.155 1.00 0.00 C ATOM 61 O VAL A 4 2.632 4.960 -20.383 1.00 0.00 O ATOM 62 CB VAL A 4 4.094 3.155 -18.470 1.00 0.00 C ATOM 63 CG1 VAL A 4 4.577 2.577 -17.149 1.00 0.00 C ATOM 64 CG2 VAL A 4 4.143 2.101 -19.569 1.00 0.00 C ATOM 0 HA VAL A 4 2.500 3.975 -17.269 1.00 0.00 H new ATOM 0 HB VAL A 4 4.761 3.968 -18.757 1.00 0.00 H new ATOM 0 HG11 VAL A 4 5.582 2.173 -17.274 1.00 0.00 H new ATOM 0 HG12 VAL A 4 4.593 3.362 -16.393 1.00 0.00 H new ATOM 0 HG13 VAL A 4 3.903 1.781 -16.832 1.00 0.00 H new ATOM 0 HG21 VAL A 4 5.157 1.711 -19.654 1.00 0.00 H new ATOM 0 HG22 VAL A 4 3.461 1.287 -19.323 1.00 0.00 H new ATOM 0 HG23 VAL A 4 3.846 2.550 -20.517 1.00 0.00 H new ATOM 74 N VAL A 5 2.372 6.133 -18.479 1.00 0.00 N ATOM 75 CA VAL A 5 2.244 7.420 -19.154 1.00 0.00 C ATOM 76 C VAL A 5 3.605 8.085 -19.341 1.00 0.00 C ATOM 77 O VAL A 5 4.519 7.882 -18.542 1.00 0.00 O ATOM 78 CB VAL A 5 1.324 8.376 -18.372 1.00 0.00 C ATOM 79 CG1 VAL A 5 -0.106 7.861 -18.370 1.00 0.00 C ATOM 80 CG2 VAL A 5 1.834 8.567 -16.950 1.00 0.00 C ATOM 0 H VAL A 5 2.307 6.183 -17.462 1.00 0.00 H new ATOM 0 HA VAL A 5 1.804 7.219 -20.131 1.00 0.00 H new ATOM 0 HB VAL A 5 1.334 9.346 -18.869 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -0.740 8.550 -17.813 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -0.467 7.785 -19.396 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -0.138 6.878 -17.900 1.00 0.00 H new ATOM 0 HG21 VAL A 5 1.171 9.246 -16.414 1.00 0.00 H new ATOM 0 HG22 VAL A 5 1.858 7.604 -16.440 1.00 0.00 H new ATOM 0 HG23 VAL A 5 2.839 8.988 -16.977 1.00 0.00 H new ATOM 90 N PRO A 6 3.758 8.893 -20.406 1.00 0.00 N ATOM 91 CA PRO A 6 5.013 9.592 -20.697 1.00 0.00 C ATOM 92 C PRO A 6 5.639 10.214 -19.452 1.00 0.00 C ATOM 93 O PRO A 6 6.862 10.294 -19.334 1.00 0.00 O ATOM 94 CB PRO A 6 4.582 10.677 -21.681 1.00 0.00 C ATOM 95 CG PRO A 6 3.418 10.084 -22.401 1.00 0.00 C ATOM 96 CD PRO A 6 2.716 9.194 -21.409 1.00 0.00 C ATOM 0 HA PRO A 6 5.777 8.919 -21.085 1.00 0.00 H new ATOM 0 HB2 PRO A 6 4.303 11.595 -21.163 1.00 0.00 H new ATOM 0 HB3 PRO A 6 5.388 10.931 -22.370 1.00 0.00 H new ATOM 0 HG2 PRO A 6 2.749 10.863 -22.766 1.00 0.00 H new ATOM 0 HG3 PRO A 6 3.747 9.514 -23.270 1.00 0.00 H new ATOM 0 HD2 PRO A 6 1.860 9.695 -20.958 1.00 0.00 H new ATOM 0 HD3 PRO A 6 2.341 8.286 -21.881 1.00 0.00 H new ATOM 104 N ASP A 7 4.793 10.646 -18.521 1.00 0.00 N ATOM 105 CA ASP A 7 5.258 11.247 -17.287 1.00 0.00 C ATOM 106 C ASP A 7 4.354 10.832 -16.133 1.00 0.00 C ATOM 107 O ASP A 7 3.314 11.439 -15.887 1.00 0.00 O ATOM 108 CB ASP A 7 5.301 12.769 -17.413 1.00 0.00 C ATOM 109 CG ASP A 7 6.469 13.247 -18.255 1.00 0.00 C ATOM 110 OD1 ASP A 7 7.620 12.888 -17.931 1.00 0.00 O ATOM 111 OD2 ASP A 7 6.232 13.980 -19.238 1.00 0.00 O ATOM 0 H ASP A 7 3.778 10.588 -18.604 1.00 0.00 H new ATOM 0 HA ASP A 7 6.269 10.894 -17.085 1.00 0.00 H new ATOM 0 HB2 ASP A 7 4.369 13.121 -17.856 1.00 0.00 H new ATOM 0 HB3 ASP A 7 5.368 13.211 -16.419 1.00 0.00 H new ATOM 116 N GLN A 8 4.763 9.789 -15.434 1.00 0.00 N ATOM 117 CA GLN A 8 4.004 9.278 -14.302 1.00 0.00 C ATOM 118 C GLN A 8 3.954 10.332 -13.211 1.00 0.00 C ATOM 119 O GLN A 8 2.924 10.530 -12.565 1.00 0.00 O ATOM 120 CB GLN A 8 4.630 7.983 -13.784 1.00 0.00 C ATOM 121 CG GLN A 8 4.743 6.908 -14.852 1.00 0.00 C ATOM 122 CD GLN A 8 5.596 5.737 -14.415 1.00 0.00 C ATOM 123 OE1 GLN A 8 5.568 5.338 -13.251 1.00 0.00 O ATOM 124 NE2 GLN A 8 6.360 5.182 -15.348 1.00 0.00 N ATOM 0 H GLN A 8 5.622 9.275 -15.630 1.00 0.00 H new ATOM 0 HA GLN A 8 2.986 9.053 -14.619 1.00 0.00 H new ATOM 0 HB2 GLN A 8 5.622 8.199 -13.388 1.00 0.00 H new ATOM 0 HB3 GLN A 8 4.032 7.603 -12.956 1.00 0.00 H new ATOM 0 HG2 GLN A 8 3.746 6.550 -15.108 1.00 0.00 H new ATOM 0 HG3 GLN A 8 5.167 7.344 -15.757 1.00 0.00 H new ATOM 0 HE21 GLN A 8 6.349 5.548 -16.300 1.00 0.00 H new ATOM 0 HE22 GLN A 8 6.958 4.390 -15.113 1.00 0.00 H new ATOM 133 N ARG A 9 5.066 11.035 -13.043 1.00 0.00 N ATOM 134 CA ARG A 9 5.146 12.107 -12.068 1.00 0.00 C ATOM 135 C ARG A 9 4.289 13.269 -12.530 1.00 0.00 C ATOM 136 O ARG A 9 3.825 14.065 -11.721 1.00 0.00 O ATOM 137 CB ARG A 9 6.594 12.562 -11.870 1.00 0.00 C ATOM 138 CG ARG A 9 7.551 11.432 -11.531 1.00 0.00 C ATOM 139 CD ARG A 9 7.460 11.044 -10.064 1.00 0.00 C ATOM 140 NE ARG A 9 7.897 12.126 -9.182 1.00 0.00 N ATOM 141 CZ ARG A 9 7.070 12.955 -8.548 1.00 0.00 C ATOM 142 NH1 ARG A 9 5.756 12.848 -8.700 1.00 0.00 N ATOM 143 NH2 ARG A 9 7.563 13.902 -7.761 1.00 0.00 N ATOM 0 H ARG A 9 5.925 10.880 -13.571 1.00 0.00 H new ATOM 0 HA ARG A 9 4.778 11.739 -11.110 1.00 0.00 H new ATOM 0 HB2 ARG A 9 6.937 13.056 -12.779 1.00 0.00 H new ATOM 0 HB3 ARG A 9 6.626 13.304 -11.072 1.00 0.00 H new ATOM 0 HG2 ARG A 9 7.326 10.565 -12.152 1.00 0.00 H new ATOM 0 HG3 ARG A 9 8.571 11.736 -11.765 1.00 0.00 H new ATOM 0 HD2 ARG A 9 6.432 10.774 -9.824 1.00 0.00 H new ATOM 0 HD3 ARG A 9 8.072 10.160 -9.884 1.00 0.00 H new ATOM 0 HE ARG A 9 8.899 12.254 -9.044 1.00 0.00 H new ATOM 0 HH11 ARG A 9 5.370 12.125 -9.307 1.00 0.00 H new ATOM 0 HH12 ARG A 9 5.132 13.489 -8.209 1.00 0.00 H new ATOM 0 HH21 ARG A 9 8.572 13.993 -7.643 1.00 0.00 H new ATOM 0 HH22 ARG A 9 6.933 14.539 -7.274 1.00 0.00 H new ATOM 157 N SER A 10 4.063 13.357 -13.841 1.00 0.00 N ATOM 158 CA SER A 10 3.235 14.428 -14.376 1.00 0.00 C ATOM 159 C SER A 10 1.820 14.298 -13.836 1.00 0.00 C ATOM 160 O SER A 10 1.133 15.296 -13.610 1.00 0.00 O ATOM 161 CB SER A 10 3.225 14.410 -15.909 1.00 0.00 C ATOM 162 OG SER A 10 4.323 15.138 -16.434 1.00 0.00 O ATOM 0 H SER A 10 4.435 12.711 -14.537 1.00 0.00 H new ATOM 0 HA SER A 10 3.657 15.382 -14.059 1.00 0.00 H new ATOM 0 HB2 SER A 10 3.264 13.380 -16.264 1.00 0.00 H new ATOM 0 HB3 SER A 10 2.292 14.838 -16.275 1.00 0.00 H new ATOM 0 HG SER A 10 4.244 15.192 -17.409 1.00 0.00 H new ATOM 168 N LYS A 11 1.399 13.061 -13.602 1.00 0.00 N ATOM 169 CA LYS A 11 0.079 12.803 -13.057 1.00 0.00 C ATOM 170 C LYS A 11 0.117 12.926 -11.545 1.00 0.00 C ATOM 171 O LYS A 11 -0.665 13.658 -10.952 1.00 0.00 O ATOM 172 CB LYS A 11 -0.420 11.417 -13.471 1.00 0.00 C ATOM 173 CG LYS A 11 -1.102 11.398 -14.830 1.00 0.00 C ATOM 174 CD LYS A 11 -0.188 10.833 -15.906 1.00 0.00 C ATOM 175 CE LYS A 11 -0.426 11.504 -17.248 1.00 0.00 C ATOM 176 NZ LYS A 11 -1.852 11.411 -17.671 1.00 0.00 N ATOM 0 H LYS A 11 1.954 12.224 -13.782 1.00 0.00 H new ATOM 0 HA LYS A 11 -0.616 13.542 -13.457 1.00 0.00 H new ATOM 0 HB2 LYS A 11 0.423 10.726 -13.487 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -1.118 11.051 -12.718 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -2.011 10.800 -14.773 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -1.402 12.410 -15.101 1.00 0.00 H new ATOM 0 HD2 LYS A 11 0.852 10.969 -15.609 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -0.355 9.760 -16.000 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -0.133 12.552 -17.187 1.00 0.00 H new ATOM 0 HE3 LYS A 11 0.208 11.040 -18.004 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -1.943 11.726 -18.658 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -2.174 10.425 -17.591 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -2.436 12.017 -17.059 1.00 0.00 H new ATOM 190 N PHE A 12 1.053 12.233 -10.921 1.00 0.00 N ATOM 191 CA PHE A 12 1.199 12.306 -9.477 1.00 0.00 C ATOM 192 C PHE A 12 1.427 13.758 -9.049 1.00 0.00 C ATOM 193 O PHE A 12 1.223 14.110 -7.887 1.00 0.00 O ATOM 194 CB PHE A 12 2.366 11.418 -9.005 1.00 0.00 C ATOM 195 CG PHE A 12 1.980 10.364 -7.993 1.00 0.00 C ATOM 196 CD1 PHE A 12 0.701 9.829 -7.976 1.00 0.00 C ATOM 197 CD2 PHE A 12 2.901 9.903 -7.061 1.00 0.00 C ATOM 198 CE1 PHE A 12 0.345 8.865 -7.055 1.00 0.00 C ATOM 199 CE2 PHE A 12 2.544 8.934 -6.133 1.00 0.00 C ATOM 200 CZ PHE A 12 1.266 8.419 -6.134 1.00 0.00 C ATOM 0 H PHE A 12 1.719 11.617 -11.387 1.00 0.00 H new ATOM 0 HA PHE A 12 0.283 11.940 -9.014 1.00 0.00 H new ATOM 0 HB2 PHE A 12 2.807 10.927 -9.873 1.00 0.00 H new ATOM 0 HB3 PHE A 12 3.138 12.054 -8.572 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -0.028 10.172 -8.695 1.00 0.00 H new ATOM 0 HD2 PHE A 12 3.905 10.302 -7.058 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -0.656 8.460 -7.057 1.00 0.00 H new ATOM 0 HE2 PHE A 12 3.267 8.584 -5.411 1.00 0.00 H new ATOM 0 HZ PHE A 12 0.987 7.666 -5.412 1.00 0.00 H new ATOM 210 N GLU A 13 1.876 14.594 -9.994 1.00 0.00 N ATOM 211 CA GLU A 13 2.153 16.000 -9.698 1.00 0.00 C ATOM 212 C GLU A 13 1.027 16.943 -10.128 1.00 0.00 C ATOM 213 O GLU A 13 0.895 18.038 -9.583 1.00 0.00 O ATOM 214 CB GLU A 13 3.459 16.436 -10.364 1.00 0.00 C ATOM 215 CG GLU A 13 4.700 15.820 -9.735 1.00 0.00 C ATOM 216 CD GLU A 13 5.637 16.861 -9.154 1.00 0.00 C ATOM 217 OE1 GLU A 13 5.244 17.537 -8.180 1.00 0.00 O ATOM 218 OE2 GLU A 13 6.764 17.000 -9.672 1.00 0.00 O ATOM 0 H GLU A 13 2.053 14.322 -10.961 1.00 0.00 H new ATOM 0 HA GLU A 13 2.237 16.070 -8.614 1.00 0.00 H new ATOM 0 HB2 GLU A 13 3.426 16.167 -11.420 1.00 0.00 H new ATOM 0 HB3 GLU A 13 3.538 17.522 -10.314 1.00 0.00 H new ATOM 0 HG2 GLU A 13 4.399 15.128 -8.948 1.00 0.00 H new ATOM 0 HG3 GLU A 13 5.232 15.236 -10.486 1.00 0.00 H new ATOM 225 N ASN A 14 0.244 16.549 -11.129 1.00 0.00 N ATOM 226 CA ASN A 14 -0.824 17.416 -11.627 1.00 0.00 C ATOM 227 C ASN A 14 -2.220 16.906 -11.276 1.00 0.00 C ATOM 228 O ASN A 14 -3.141 17.699 -11.080 1.00 0.00 O ATOM 229 CB ASN A 14 -0.702 17.574 -13.143 1.00 0.00 C ATOM 230 CG ASN A 14 -1.643 18.626 -13.694 1.00 0.00 C ATOM 231 OD1 ASN A 14 -2.842 18.386 -13.847 1.00 0.00 O ATOM 232 ND2 ASN A 14 -1.105 19.803 -13.996 1.00 0.00 N ATOM 0 H ASN A 14 0.325 15.651 -11.606 1.00 0.00 H new ATOM 0 HA ASN A 14 -0.702 18.380 -11.134 1.00 0.00 H new ATOM 0 HB2 ASN A 14 0.324 17.841 -13.396 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -0.910 16.618 -13.623 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -1.690 20.550 -14.370 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -0.107 19.959 -13.854 1.00 0.00 H new ATOM 239 N GLU A 15 -2.382 15.592 -11.208 1.00 0.00 N ATOM 240 CA GLU A 15 -3.689 15.012 -10.890 1.00 0.00 C ATOM 241 C GLU A 15 -4.111 15.366 -9.463 1.00 0.00 C ATOM 242 O GLU A 15 -3.304 15.318 -8.541 1.00 0.00 O ATOM 243 CB GLU A 15 -3.666 13.497 -11.081 1.00 0.00 C ATOM 244 CG GLU A 15 -3.849 13.065 -12.525 1.00 0.00 C ATOM 245 CD GLU A 15 -4.342 11.636 -12.647 1.00 0.00 C ATOM 246 OE1 GLU A 15 -3.524 10.709 -12.468 1.00 0.00 O ATOM 247 OE2 GLU A 15 -5.545 11.444 -12.920 1.00 0.00 O ATOM 0 H GLU A 15 -1.639 14.911 -11.366 1.00 0.00 H new ATOM 0 HA GLU A 15 -4.422 15.436 -11.576 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -2.718 13.107 -10.711 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -4.454 13.050 -10.474 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -4.558 13.733 -13.013 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -2.901 13.165 -13.053 1.00 0.00 H new ATOM 254 N GLU A 16 -5.378 15.745 -9.301 1.00 0.00 N ATOM 255 CA GLU A 16 -5.911 16.144 -7.991 1.00 0.00 C ATOM 256 C GLU A 16 -5.986 14.981 -7.003 1.00 0.00 C ATOM 257 O GLU A 16 -5.203 14.927 -6.054 1.00 0.00 O ATOM 258 CB GLU A 16 -7.289 16.798 -8.142 1.00 0.00 C ATOM 259 CG GLU A 16 -8.231 16.058 -9.079 1.00 0.00 C ATOM 260 CD GLU A 16 -8.797 16.952 -10.164 1.00 0.00 C ATOM 261 OE1 GLU A 16 -8.078 17.214 -11.153 1.00 0.00 O ATOM 262 OE2 GLU A 16 -9.958 17.392 -10.026 1.00 0.00 O ATOM 0 H GLU A 16 -6.059 15.785 -10.060 1.00 0.00 H new ATOM 0 HA GLU A 16 -5.210 16.870 -7.580 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -7.754 16.870 -7.159 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -7.157 17.817 -8.507 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -7.699 15.226 -9.540 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -9.051 15.631 -8.501 1.00 0.00 H new ATOM 269 N PHE A 17 -6.914 14.045 -7.212 1.00 0.00 N ATOM 270 CA PHE A 17 -7.042 12.906 -6.315 1.00 0.00 C ATOM 271 C PHE A 17 -5.703 12.206 -6.219 1.00 0.00 C ATOM 272 O PHE A 17 -5.258 11.819 -5.144 1.00 0.00 O ATOM 273 CB PHE A 17 -8.141 11.952 -6.815 1.00 0.00 C ATOM 274 CG PHE A 17 -7.791 10.494 -6.715 1.00 0.00 C ATOM 275 CD1 PHE A 17 -6.919 9.920 -7.623 1.00 0.00 C ATOM 276 CD2 PHE A 17 -8.331 9.702 -5.715 1.00 0.00 C ATOM 277 CE1 PHE A 17 -6.588 8.580 -7.537 1.00 0.00 C ATOM 278 CE2 PHE A 17 -8.005 8.360 -5.622 1.00 0.00 C ATOM 279 CZ PHE A 17 -7.132 7.800 -6.534 1.00 0.00 C ATOM 0 H PHE A 17 -7.578 14.056 -7.986 1.00 0.00 H new ATOM 0 HA PHE A 17 -7.334 13.245 -5.321 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -9.051 12.135 -6.244 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -8.365 12.189 -7.855 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -6.492 10.526 -8.408 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -9.014 10.136 -5.000 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -5.906 8.144 -8.252 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -8.432 7.752 -4.838 1.00 0.00 H new ATOM 0 HZ PHE A 17 -6.875 6.753 -6.463 1.00 0.00 H new ATOM 289 N PHE A 18 -5.071 12.067 -7.367 1.00 0.00 N ATOM 290 CA PHE A 18 -3.784 11.436 -7.469 1.00 0.00 C ATOM 291 C PHE A 18 -2.763 12.206 -6.635 1.00 0.00 C ATOM 292 O PHE A 18 -1.808 11.625 -6.128 1.00 0.00 O ATOM 293 CB PHE A 18 -3.395 11.420 -8.945 1.00 0.00 C ATOM 294 CG PHE A 18 -2.604 10.231 -9.368 1.00 0.00 C ATOM 295 CD1 PHE A 18 -2.845 9.003 -8.797 1.00 0.00 C ATOM 296 CD2 PHE A 18 -1.644 10.342 -10.351 1.00 0.00 C ATOM 297 CE1 PHE A 18 -2.135 7.887 -9.195 1.00 0.00 C ATOM 298 CE2 PHE A 18 -0.922 9.236 -10.758 1.00 0.00 C ATOM 299 CZ PHE A 18 -1.168 8.005 -10.179 1.00 0.00 C ATOM 0 H PHE A 18 -5.445 12.393 -8.258 1.00 0.00 H new ATOM 0 HA PHE A 18 -3.815 10.416 -7.087 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -4.303 11.468 -9.546 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -2.819 12.319 -9.165 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -3.598 8.910 -8.029 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -1.454 11.302 -10.807 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -2.333 6.927 -8.741 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -0.168 9.333 -11.526 1.00 0.00 H new ATOM 0 HZ PHE A 18 -0.607 7.137 -10.493 1.00 0.00 H new ATOM 309 N ARG A 19 -2.990 13.512 -6.472 1.00 0.00 N ATOM 310 CA ARG A 19 -2.100 14.346 -5.668 1.00 0.00 C ATOM 311 C ARG A 19 -2.481 14.238 -4.196 1.00 0.00 C ATOM 312 O ARG A 19 -1.703 13.742 -3.375 1.00 0.00 O ATOM 313 CB ARG A 19 -2.172 15.810 -6.108 1.00 0.00 C ATOM 314 CG ARG A 19 -1.059 16.216 -7.062 1.00 0.00 C ATOM 315 CD ARG A 19 -0.587 17.635 -6.794 1.00 0.00 C ATOM 316 NE ARG A 19 -1.700 18.580 -6.713 1.00 0.00 N ATOM 317 CZ ARG A 19 -1.565 19.897 -6.851 1.00 0.00 C ATOM 318 NH1 ARG A 19 -0.370 20.430 -7.077 1.00 0.00 N ATOM 319 NH2 ARG A 19 -2.628 20.684 -6.764 1.00 0.00 N ATOM 0 H ARG A 19 -3.779 14.010 -6.885 1.00 0.00 H new ATOM 0 HA ARG A 19 -1.079 13.991 -5.812 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -3.134 15.989 -6.588 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -2.133 16.448 -5.225 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -0.221 15.527 -6.959 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -1.412 16.137 -8.090 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -0.023 17.659 -5.861 1.00 0.00 H new ATOM 0 HD3 ARG A 19 0.094 17.945 -7.586 1.00 0.00 H new ATOM 0 HE ARG A 19 -2.634 18.208 -6.541 1.00 0.00 H new ATOM 0 HH11 ARG A 19 0.452 19.829 -7.146 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -0.274 21.440 -7.182 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -3.549 20.280 -6.591 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -2.525 21.693 -6.870 1.00 0.00 H new ATOM 333 N LYS A 20 -3.700 14.677 -3.866 1.00 0.00 N ATOM 334 CA LYS A 20 -4.178 14.598 -2.487 1.00 0.00 C ATOM 335 C LYS A 20 -3.960 13.190 -1.947 1.00 0.00 C ATOM 336 O LYS A 20 -3.785 12.993 -0.744 1.00 0.00 O ATOM 337 CB LYS A 20 -5.653 14.996 -2.385 1.00 0.00 C ATOM 338 CG LYS A 20 -6.548 14.299 -3.391 1.00 0.00 C ATOM 339 CD LYS A 20 -7.609 15.239 -3.946 1.00 0.00 C ATOM 340 CE LYS A 20 -8.989 14.601 -3.918 1.00 0.00 C ATOM 341 NZ LYS A 20 -9.733 14.940 -2.674 1.00 0.00 N ATOM 0 H LYS A 20 -4.363 15.084 -4.525 1.00 0.00 H new ATOM 0 HA LYS A 20 -3.608 15.304 -1.883 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -6.011 14.773 -1.380 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -5.739 16.074 -2.522 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -5.942 13.910 -4.209 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -7.031 13.444 -2.918 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -7.621 16.160 -3.363 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -7.354 15.513 -4.970 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -9.560 14.934 -4.785 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -8.890 13.518 -3.998 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -10.668 14.486 -2.694 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -9.201 14.600 -1.848 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -9.850 15.971 -2.610 1.00 0.00 H new ATOM 355 N LEU A 21 -3.936 12.214 -2.856 1.00 0.00 N ATOM 356 CA LEU A 21 -3.695 10.830 -2.478 1.00 0.00 C ATOM 357 C LEU A 21 -2.194 10.560 -2.494 1.00 0.00 C ATOM 358 O LEU A 21 -1.668 9.881 -1.613 1.00 0.00 O ATOM 359 CB LEU A 21 -4.408 9.863 -3.429 1.00 0.00 C ATOM 360 CG LEU A 21 -5.941 9.827 -3.333 1.00 0.00 C ATOM 361 CD1 LEU A 21 -6.426 8.406 -3.090 1.00 0.00 C ATOM 362 CD2 LEU A 21 -6.451 10.756 -2.239 1.00 0.00 C ATOM 0 H LEU A 21 -4.081 12.361 -3.855 1.00 0.00 H new ATOM 0 HA LEU A 21 -4.092 10.669 -1.476 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -4.134 10.123 -4.451 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -4.029 8.858 -3.244 1.00 0.00 H new ATOM 0 HG LEU A 21 -6.342 10.178 -4.284 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -7.514 8.399 -3.025 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -6.108 7.767 -3.914 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -6.004 8.032 -2.157 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -7.539 10.707 -2.198 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -6.037 10.449 -1.279 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -6.142 11.778 -2.457 1.00 0.00 H new ATOM 374 N SER A 22 -1.505 11.131 -3.490 1.00 0.00 N ATOM 375 CA SER A 22 -0.054 10.982 -3.612 1.00 0.00 C ATOM 376 C SER A 22 0.655 11.466 -2.349 1.00 0.00 C ATOM 377 O SER A 22 1.848 11.227 -2.167 1.00 0.00 O ATOM 378 CB SER A 22 0.472 11.759 -4.820 1.00 0.00 C ATOM 379 OG SER A 22 1.864 12.004 -4.707 1.00 0.00 O ATOM 0 H SER A 22 -1.931 11.700 -4.222 1.00 0.00 H new ATOM 0 HA SER A 22 0.156 9.921 -3.750 1.00 0.00 H new ATOM 0 HB2 SER A 22 0.272 11.197 -5.732 1.00 0.00 H new ATOM 0 HB3 SER A 22 -0.061 12.706 -4.906 1.00 0.00 H new ATOM 0 HG SER A 22 2.207 11.573 -3.897 1.00 0.00 H new ATOM 385 N ARG A 23 -0.078 12.161 -1.483 1.00 0.00 N ATOM 386 CA ARG A 23 0.497 12.680 -0.250 1.00 0.00 C ATOM 387 C ARG A 23 0.176 11.759 0.923 1.00 0.00 C ATOM 388 O ARG A 23 -0.288 10.634 0.731 1.00 0.00 O ATOM 389 CB ARG A 23 -0.037 14.088 0.023 1.00 0.00 C ATOM 390 CG ARG A 23 -0.137 14.952 -1.226 1.00 0.00 C ATOM 391 CD ARG A 23 1.055 15.888 -1.354 1.00 0.00 C ATOM 392 NE ARG A 23 1.553 15.955 -2.727 1.00 0.00 N ATOM 393 CZ ARG A 23 2.774 16.370 -3.054 1.00 0.00 C ATOM 394 NH1 ARG A 23 3.626 16.759 -2.114 1.00 0.00 N ATOM 395 NH2 ARG A 23 3.145 16.396 -4.328 1.00 0.00 N ATOM 0 H ARG A 23 -1.067 12.376 -1.613 1.00 0.00 H new ATOM 0 HA ARG A 23 1.580 12.726 -0.364 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -1.023 14.012 0.482 1.00 0.00 H new ATOM 0 HB3 ARG A 23 0.614 14.581 0.745 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -0.196 14.313 -2.107 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -1.057 15.535 -1.193 1.00 0.00 H new ATOM 0 HD2 ARG A 23 0.769 16.886 -1.023 1.00 0.00 H new ATOM 0 HD3 ARG A 23 1.854 15.550 -0.694 1.00 0.00 H new ATOM 0 HE ARG A 23 0.927 15.666 -3.479 1.00 0.00 H new ATOM 0 HH11 ARG A 23 3.346 16.741 -1.133 1.00 0.00 H new ATOM 0 HH12 ARG A 23 4.560 17.076 -2.372 1.00 0.00 H new ATOM 0 HH21 ARG A 23 2.494 16.098 -5.055 1.00 0.00 H new ATOM 0 HH22 ARG A 23 4.081 16.714 -4.580 1.00 0.00 H new ATOM 409 N GLU A 24 0.447 12.235 2.134 1.00 0.00 N ATOM 410 CA GLU A 24 0.209 11.445 3.340 1.00 0.00 C ATOM 411 C GLU A 24 -0.962 11.990 4.152 1.00 0.00 C ATOM 412 O GLU A 24 -1.072 13.197 4.368 1.00 0.00 O ATOM 413 CB GLU A 24 1.468 11.420 4.208 1.00 0.00 C ATOM 414 CG GLU A 24 1.924 12.798 4.659 1.00 0.00 C ATOM 415 CD GLU A 24 3.392 12.834 5.034 1.00 0.00 C ATOM 416 OE1 GLU A 24 4.240 12.723 4.123 1.00 0.00 O ATOM 417 OE2 GLU A 24 3.695 12.972 6.238 1.00 0.00 O ATOM 0 H GLU A 24 0.832 13.164 2.308 1.00 0.00 H new ATOM 0 HA GLU A 24 -0.042 10.432 3.025 1.00 0.00 H new ATOM 0 HB2 GLU A 24 1.281 10.803 5.087 1.00 0.00 H new ATOM 0 HB3 GLU A 24 2.274 10.944 3.650 1.00 0.00 H new ATOM 0 HG2 GLU A 24 1.739 13.517 3.861 1.00 0.00 H new ATOM 0 HG3 GLU A 24 1.327 13.112 5.515 1.00 0.00 H new ATOM 424 N CYS A 25 -1.829 11.089 4.609 1.00 0.00 N ATOM 425 CA CYS A 25 -2.987 11.475 5.410 1.00 0.00 C ATOM 426 C CYS A 25 -3.382 10.367 6.377 1.00 0.00 C ATOM 427 O CYS A 25 -2.659 9.385 6.548 1.00 0.00 O ATOM 428 CB CYS A 25 -4.168 11.842 4.506 1.00 0.00 C ATOM 429 SG CYS A 25 -5.097 10.424 3.873 1.00 0.00 S ATOM 0 H CYS A 25 -1.751 10.086 4.438 1.00 0.00 H new ATOM 0 HA CYS A 25 -2.711 12.351 5.997 1.00 0.00 H new ATOM 0 HB2 CYS A 25 -4.848 12.487 5.062 1.00 0.00 H new ATOM 0 HB3 CYS A 25 -3.796 12.423 3.662 1.00 0.00 H new ATOM 0 HG CYS A 25 -5.101 10.453 2.573 1.00 0.00 H new ATOM 435 N GLU A 26 -4.534 10.537 7.012 1.00 0.00 N ATOM 436 CA GLU A 26 -5.028 9.559 7.970 1.00 0.00 C ATOM 437 C GLU A 26 -5.818 8.452 7.281 1.00 0.00 C ATOM 438 O GLU A 26 -6.724 8.714 6.488 1.00 0.00 O ATOM 439 CB GLU A 26 -5.902 10.246 9.023 1.00 0.00 C ATOM 440 CG GLU A 26 -5.257 11.476 9.640 1.00 0.00 C ATOM 441 CD GLU A 26 -6.012 11.984 10.853 1.00 0.00 C ATOM 442 OE1 GLU A 26 -6.009 11.286 11.889 1.00 0.00 O ATOM 443 OE2 GLU A 26 -6.606 13.079 10.767 1.00 0.00 O ATOM 0 H GLU A 26 -5.144 11.344 6.880 1.00 0.00 H new ATOM 0 HA GLU A 26 -4.165 9.105 8.457 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -6.849 10.533 8.566 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -6.133 9.532 9.813 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -4.233 11.239 9.927 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -5.203 12.267 8.892 1.00 0.00 H new ATOM 450 N ILE A 27 -5.469 7.215 7.599 1.00 0.00 N ATOM 451 CA ILE A 27 -6.145 6.054 7.029 1.00 0.00 C ATOM 452 C ILE A 27 -6.955 5.329 8.100 1.00 0.00 C ATOM 453 O ILE A 27 -6.779 5.575 9.293 1.00 0.00 O ATOM 454 CB ILE A 27 -5.147 5.069 6.390 1.00 0.00 C ATOM 455 CG1 ILE A 27 -4.031 4.722 7.377 1.00 0.00 C ATOM 456 CG2 ILE A 27 -4.568 5.658 5.111 1.00 0.00 C ATOM 457 CD1 ILE A 27 -3.175 3.556 6.930 1.00 0.00 C ATOM 0 H ILE A 27 -4.719 6.986 8.251 1.00 0.00 H new ATOM 0 HA ILE A 27 -6.812 6.421 6.249 1.00 0.00 H new ATOM 0 HB ILE A 27 -5.678 4.151 6.138 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -3.396 5.597 7.518 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -4.472 4.489 8.346 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -3.865 4.951 4.671 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -5.374 5.856 4.404 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -4.050 6.589 5.341 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -2.404 3.364 7.676 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -3.799 2.669 6.816 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -2.705 3.794 5.976 1.00 0.00 H new ATOM 469 N LYS A 28 -7.852 4.442 7.675 1.00 0.00 N ATOM 470 CA LYS A 28 -8.690 3.699 8.619 1.00 0.00 C ATOM 471 C LYS A 28 -9.144 2.361 8.039 1.00 0.00 C ATOM 472 O LYS A 28 -9.164 2.178 6.825 1.00 0.00 O ATOM 473 CB LYS A 28 -9.910 4.536 9.005 1.00 0.00 C ATOM 474 CG LYS A 28 -10.505 4.163 10.354 1.00 0.00 C ATOM 475 CD LYS A 28 -10.460 5.331 11.328 1.00 0.00 C ATOM 476 CE LYS A 28 -11.652 6.257 11.140 1.00 0.00 C ATOM 477 NZ LYS A 28 -11.302 7.453 10.324 1.00 0.00 N ATOM 0 H LYS A 28 -8.018 4.220 6.693 1.00 0.00 H new ATOM 0 HA LYS A 28 -8.089 3.494 9.505 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -9.627 5.589 9.021 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -10.675 4.423 8.237 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -11.537 3.840 10.220 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -9.958 3.318 10.773 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -10.448 4.954 12.351 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -9.536 5.891 11.184 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -12.463 5.712 10.656 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -12.020 6.577 12.115 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -11.950 8.233 10.556 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -10.325 7.741 10.532 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -11.387 7.221 9.314 1.00 0.00 H new ATOM 491 N TYR A 29 -9.510 1.428 8.919 1.00 0.00 N ATOM 492 CA TYR A 29 -9.965 0.106 8.490 1.00 0.00 C ATOM 493 C TYR A 29 -11.437 0.123 8.083 1.00 0.00 C ATOM 494 O TYR A 29 -12.313 0.421 8.894 1.00 0.00 O ATOM 495 CB TYR A 29 -9.749 -0.919 9.608 1.00 0.00 C ATOM 496 CG TYR A 29 -9.116 -2.210 9.140 1.00 0.00 C ATOM 497 CD1 TYR A 29 -8.084 -2.205 8.209 1.00 0.00 C ATOM 498 CD2 TYR A 29 -9.551 -3.435 9.628 1.00 0.00 C ATOM 499 CE1 TYR A 29 -7.504 -3.382 7.780 1.00 0.00 C ATOM 500 CE2 TYR A 29 -8.977 -4.617 9.204 1.00 0.00 C ATOM 501 CZ TYR A 29 -7.954 -4.586 8.279 1.00 0.00 C ATOM 502 OH TYR A 29 -7.377 -5.761 7.852 1.00 0.00 O ATOM 0 H TYR A 29 -9.500 1.563 9.930 1.00 0.00 H new ATOM 0 HA TYR A 29 -9.375 -0.178 7.618 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -9.119 -0.475 10.378 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -10.709 -1.144 10.072 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -7.730 -1.264 7.814 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -10.352 -3.464 10.352 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -6.702 -3.360 7.057 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -9.327 -5.561 9.595 1.00 0.00 H new ATOM 0 HH TYR A 29 -8.041 -6.482 7.883 1.00 0.00 H new ATOM 512 N THR A 30 -11.700 -0.211 6.821 1.00 0.00 N ATOM 513 CA THR A 30 -13.065 -0.248 6.301 1.00 0.00 C ATOM 514 C THR A 30 -13.204 -1.317 5.218 1.00 0.00 C ATOM 515 O THR A 30 -13.807 -1.077 4.171 1.00 0.00 O ATOM 516 CB THR A 30 -13.478 1.120 5.744 1.00 0.00 C ATOM 517 OG1 THR A 30 -13.038 1.280 4.405 1.00 0.00 O ATOM 518 CG2 THR A 30 -12.948 2.288 6.550 1.00 0.00 C ATOM 0 H THR A 30 -10.984 -0.460 6.139 1.00 0.00 H new ATOM 0 HA THR A 30 -13.728 -0.500 7.129 1.00 0.00 H new ATOM 0 HB THR A 30 -14.566 1.130 5.801 1.00 0.00 H new ATOM 0 HG1 THR A 30 -13.486 0.623 3.833 1.00 0.00 H new ATOM 0 HG21 THR A 30 -13.280 3.223 6.098 1.00 0.00 H new ATOM 0 HG22 THR A 30 -13.324 2.226 7.571 1.00 0.00 H new ATOM 0 HG23 THR A 30 -11.858 2.257 6.562 1.00 0.00 H new ATOM 526 N GLY A 31 -12.636 -2.493 5.471 1.00 0.00 N ATOM 527 CA GLY A 31 -12.704 -3.574 4.501 1.00 0.00 C ATOM 528 C GLY A 31 -13.561 -4.736 4.968 1.00 0.00 C ATOM 529 O GLY A 31 -14.729 -4.843 4.593 1.00 0.00 O ATOM 0 H GLY A 31 -12.131 -2.717 6.328 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -13.104 -3.189 3.563 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -11.696 -3.933 4.294 1.00 0.00 H new ATOM 533 N PHE A 32 -12.981 -5.608 5.788 1.00 0.00 N ATOM 534 CA PHE A 32 -13.702 -6.769 6.308 1.00 0.00 C ATOM 535 C PHE A 32 -13.991 -6.609 7.797 1.00 0.00 C ATOM 536 O PHE A 32 -14.514 -7.518 8.442 1.00 0.00 O ATOM 537 CB PHE A 32 -12.900 -8.054 6.068 1.00 0.00 C ATOM 538 CG PHE A 32 -11.408 -7.865 6.125 1.00 0.00 C ATOM 539 CD1 PHE A 32 -10.723 -7.360 5.033 1.00 0.00 C ATOM 540 CD2 PHE A 32 -10.691 -8.199 7.266 1.00 0.00 C ATOM 541 CE1 PHE A 32 -9.353 -7.188 5.076 1.00 0.00 C ATOM 542 CE2 PHE A 32 -9.319 -8.028 7.313 1.00 0.00 C ATOM 543 CZ PHE A 32 -8.651 -7.522 6.217 1.00 0.00 C ATOM 0 H PHE A 32 -12.015 -5.534 6.107 1.00 0.00 H new ATOM 0 HA PHE A 32 -14.650 -6.839 5.775 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -13.191 -8.796 6.812 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -13.167 -8.460 5.092 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -11.266 -7.097 4.137 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -11.210 -8.596 8.126 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -8.831 -6.792 4.217 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -8.772 -8.290 8.206 1.00 0.00 H new ATOM 0 HZ PHE A 32 -7.580 -7.387 6.252 1.00 0.00 H new ATOM 553 N ARG A 33 -13.645 -5.448 8.333 1.00 0.00 N ATOM 554 CA ARG A 33 -13.854 -5.148 9.741 1.00 0.00 C ATOM 555 C ARG A 33 -15.287 -4.705 10.010 1.00 0.00 C ATOM 556 O ARG A 33 -15.705 -4.578 11.160 1.00 0.00 O ATOM 557 CB ARG A 33 -12.855 -4.077 10.183 1.00 0.00 C ATOM 558 CG ARG A 33 -13.407 -2.659 10.175 1.00 0.00 C ATOM 559 CD ARG A 33 -13.934 -2.275 8.805 1.00 0.00 C ATOM 560 NE ARG A 33 -15.067 -1.357 8.891 1.00 0.00 N ATOM 561 CZ ARG A 33 -15.941 -1.161 7.906 1.00 0.00 C ATOM 562 NH1 ARG A 33 -15.808 -1.806 6.754 1.00 0.00 N ATOM 563 NH2 ARG A 33 -16.948 -0.315 8.073 1.00 0.00 N ATOM 0 H ARG A 33 -13.213 -4.689 7.806 1.00 0.00 H new ATOM 0 HA ARG A 33 -13.688 -6.055 10.322 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -12.509 -4.313 11.189 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -11.984 -4.118 9.529 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -14.207 -2.575 10.910 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -12.625 -1.961 10.474 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -13.135 -1.811 8.226 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -14.236 -3.174 8.268 1.00 0.00 H new ATOM 0 HE ARG A 33 -15.196 -0.835 9.758 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -15.033 -2.456 6.620 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -16.481 -1.652 6.003 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -17.053 0.185 8.956 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -17.618 -0.164 7.319 1.00 0.00 H new ATOM 577 N ASP A 34 -16.031 -4.466 8.940 1.00 0.00 N ATOM 578 CA ASP A 34 -17.418 -4.033 9.049 1.00 0.00 C ATOM 579 C ASP A 34 -18.228 -4.945 9.971 1.00 0.00 C ATOM 580 O ASP A 34 -19.335 -4.587 10.376 1.00 0.00 O ATOM 581 CB ASP A 34 -18.068 -3.992 7.664 1.00 0.00 C ATOM 582 CG ASP A 34 -17.801 -5.251 6.863 1.00 0.00 C ATOM 583 OD1 ASP A 34 -16.616 -5.565 6.625 1.00 0.00 O ATOM 584 OD2 ASP A 34 -18.779 -5.925 6.475 1.00 0.00 O ATOM 0 H ASP A 34 -15.696 -4.565 7.982 1.00 0.00 H new ATOM 0 HA ASP A 34 -17.415 -3.033 9.483 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -19.144 -3.856 7.774 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -17.692 -3.129 7.115 1.00 0.00 H new ATOM 589 N ARG A 35 -17.686 -6.117 10.314 1.00 0.00 N ATOM 590 CA ARG A 35 -18.401 -7.033 11.198 1.00 0.00 C ATOM 591 C ARG A 35 -17.600 -7.323 12.478 1.00 0.00 C ATOM 592 O ARG A 35 -17.995 -6.878 13.555 1.00 0.00 O ATOM 593 CB ARG A 35 -18.796 -8.329 10.469 1.00 0.00 C ATOM 594 CG ARG A 35 -18.832 -8.199 8.950 1.00 0.00 C ATOM 595 CD ARG A 35 -17.441 -8.264 8.335 1.00 0.00 C ATOM 596 NE ARG A 35 -17.071 -9.627 7.959 1.00 0.00 N ATOM 597 CZ ARG A 35 -17.475 -10.222 6.838 1.00 0.00 C ATOM 598 NH1 ARG A 35 -18.262 -9.581 5.983 1.00 0.00 N ATOM 599 NH2 ARG A 35 -17.093 -11.464 6.573 1.00 0.00 N ATOM 0 H ARG A 35 -16.773 -6.447 9.999 1.00 0.00 H new ATOM 0 HA ARG A 35 -19.324 -6.539 11.500 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -18.091 -9.115 10.740 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -19.778 -8.646 10.820 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -19.449 -8.995 8.533 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -19.304 -7.255 8.679 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -17.404 -7.622 7.455 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -16.712 -7.873 9.045 1.00 0.00 H new ATOM 0 HE ARG A 35 -16.468 -10.153 8.592 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -18.561 -8.627 6.182 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -18.568 -10.043 5.126 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -16.490 -11.963 7.227 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -17.402 -11.920 5.715 1.00 0.00 H new ATOM 613 N PRO A 36 -16.473 -8.068 12.406 1.00 0.00 N ATOM 614 CA PRO A 36 -15.666 -8.387 13.571 1.00 0.00 C ATOM 615 C PRO A 36 -14.413 -7.519 13.666 1.00 0.00 C ATOM 616 O PRO A 36 -13.292 -8.030 13.677 1.00 0.00 O ATOM 617 CB PRO A 36 -15.289 -9.835 13.281 1.00 0.00 C ATOM 618 CG PRO A 36 -15.187 -9.912 11.784 1.00 0.00 C ATOM 619 CD PRO A 36 -15.872 -8.682 11.218 1.00 0.00 C ATOM 0 HA PRO A 36 -16.186 -8.222 14.515 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -14.345 -10.101 13.756 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -16.043 -10.524 13.662 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -14.143 -9.948 11.472 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -15.662 -10.820 11.413 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -15.163 -8.012 10.732 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -16.624 -8.944 10.474 1.00 0.00 H new ATOM 627 N HIS A 37 -14.606 -6.205 13.723 1.00 0.00 N ATOM 628 CA HIS A 37 -13.492 -5.263 13.805 1.00 0.00 C ATOM 629 C HIS A 37 -12.468 -5.695 14.857 1.00 0.00 C ATOM 630 O HIS A 37 -11.278 -5.824 14.563 1.00 0.00 O ATOM 631 CB HIS A 37 -14.013 -3.859 14.125 1.00 0.00 C ATOM 632 CG HIS A 37 -12.937 -2.823 14.248 1.00 0.00 C ATOM 633 ND1 HIS A 37 -12.192 -2.648 15.394 1.00 0.00 N ATOM 634 CD2 HIS A 37 -12.485 -1.898 13.365 1.00 0.00 C ATOM 635 CE1 HIS A 37 -11.333 -1.662 15.213 1.00 0.00 C ATOM 636 NE2 HIS A 37 -11.491 -1.190 13.991 1.00 0.00 N ATOM 0 H HIS A 37 -15.527 -5.766 13.714 1.00 0.00 H new ATOM 0 HA HIS A 37 -12.992 -5.251 12.836 1.00 0.00 H new ATOM 0 HB2 HIS A 37 -14.709 -3.554 13.344 1.00 0.00 H new ATOM 0 HB3 HIS A 37 -14.576 -3.895 15.057 1.00 0.00 H new ATOM 0 HD1 HIS A 37 -12.289 -3.195 16.249 1.00 0.00 H new ATOM 0 HD2 HIS A 37 -12.841 -1.747 12.357 1.00 0.00 H new ATOM 0 HE1 HIS A 37 -10.621 -1.303 15.942 1.00 0.00 H new ATOM 645 N GLU A 38 -12.937 -5.911 16.081 1.00 0.00 N ATOM 646 CA GLU A 38 -12.062 -6.322 17.176 1.00 0.00 C ATOM 647 C GLU A 38 -11.267 -7.573 16.818 1.00 0.00 C ATOM 648 O GLU A 38 -10.156 -7.771 17.308 1.00 0.00 O ATOM 649 CB GLU A 38 -12.879 -6.565 18.446 1.00 0.00 C ATOM 650 CG GLU A 38 -12.991 -5.341 19.340 1.00 0.00 C ATOM 651 CD GLU A 38 -12.153 -5.458 20.599 1.00 0.00 C ATOM 652 OE1 GLU A 38 -10.943 -5.746 20.482 1.00 0.00 O ATOM 653 OE2 GLU A 38 -12.707 -5.263 21.701 1.00 0.00 O ATOM 0 H GLU A 38 -13.918 -5.809 16.341 1.00 0.00 H new ATOM 0 HA GLU A 38 -11.353 -5.513 17.355 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -13.880 -6.894 18.167 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -12.423 -7.377 19.012 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -12.679 -4.458 18.782 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -14.035 -5.192 19.616 1.00 0.00 H new ATOM 660 N GLU A 39 -11.824 -8.400 15.942 1.00 0.00 N ATOM 661 CA GLU A 39 -11.137 -9.608 15.502 1.00 0.00 C ATOM 662 C GLU A 39 -10.223 -9.245 14.358 1.00 0.00 C ATOM 663 O GLU A 39 -9.101 -9.739 14.242 1.00 0.00 O ATOM 664 CB GLU A 39 -12.136 -10.679 15.061 1.00 0.00 C ATOM 665 CG GLU A 39 -11.756 -12.085 15.500 1.00 0.00 C ATOM 666 CD GLU A 39 -10.335 -12.454 15.115 1.00 0.00 C ATOM 667 OE1 GLU A 39 -9.396 -11.797 15.609 1.00 0.00 O ATOM 668 OE2 GLU A 39 -10.163 -13.402 14.318 1.00 0.00 O ATOM 0 H GLU A 39 -12.744 -8.258 15.524 1.00 0.00 H new ATOM 0 HA GLU A 39 -10.560 -10.019 16.331 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -13.119 -10.435 15.464 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -12.223 -10.658 13.975 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -11.868 -12.167 16.581 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -12.447 -12.800 15.053 1.00 0.00 H new ATOM 675 N ARG A 40 -10.724 -8.346 13.526 1.00 0.00 N ATOM 676 CA ARG A 40 -9.992 -7.853 12.386 1.00 0.00 C ATOM 677 C ARG A 40 -8.660 -7.266 12.826 1.00 0.00 C ATOM 678 O ARG A 40 -7.713 -7.199 12.045 1.00 0.00 O ATOM 679 CB ARG A 40 -10.833 -6.827 11.646 1.00 0.00 C ATOM 680 CG ARG A 40 -11.440 -7.390 10.374 1.00 0.00 C ATOM 681 CD ARG A 40 -12.391 -8.535 10.691 1.00 0.00 C ATOM 682 NE ARG A 40 -12.860 -9.223 9.488 1.00 0.00 N ATOM 683 CZ ARG A 40 -13.008 -10.547 9.390 1.00 0.00 C ATOM 684 NH1 ARG A 40 -12.748 -11.335 10.425 1.00 0.00 N ATOM 685 NH2 ARG A 40 -13.430 -11.083 8.253 1.00 0.00 N ATOM 0 H ARG A 40 -11.654 -7.940 13.629 1.00 0.00 H new ATOM 0 HA ARG A 40 -9.779 -8.678 11.706 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -11.630 -6.473 12.300 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -10.215 -5.963 11.400 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -11.975 -6.604 9.842 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -10.648 -7.741 9.712 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -11.889 -9.250 11.342 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -13.248 -8.149 11.242 1.00 0.00 H new ATOM 0 HE ARG A 40 -13.089 -8.655 8.672 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -12.432 -10.931 11.307 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -12.864 -12.345 10.339 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -13.641 -10.485 7.454 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -13.543 -12.094 8.177 1.00 0.00 H new ATOM 699 N GLN A 41 -8.583 -6.863 14.094 1.00 0.00 N ATOM 700 CA GLN A 41 -7.346 -6.313 14.632 1.00 0.00 C ATOM 701 C GLN A 41 -6.231 -7.332 14.435 1.00 0.00 C ATOM 702 O GLN A 41 -5.130 -7.003 13.990 1.00 0.00 O ATOM 703 CB GLN A 41 -7.506 -5.960 16.117 1.00 0.00 C ATOM 704 CG GLN A 41 -7.341 -7.144 17.060 1.00 0.00 C ATOM 705 CD GLN A 41 -7.621 -6.781 18.506 1.00 0.00 C ATOM 706 OE1 GLN A 41 -8.749 -6.444 18.866 1.00 0.00 O ATOM 707 NE2 GLN A 41 -6.592 -6.848 19.343 1.00 0.00 N ATOM 0 H GLN A 41 -9.355 -6.907 14.759 1.00 0.00 H new ATOM 0 HA GLN A 41 -7.096 -5.393 14.104 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -6.773 -5.196 16.379 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -8.492 -5.522 16.271 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -8.014 -7.945 16.753 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -6.326 -7.532 16.977 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -5.674 -7.132 19.001 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -6.720 -6.615 20.328 1.00 0.00 H new ATOM 716 N THR A 42 -6.555 -8.585 14.736 1.00 0.00 N ATOM 717 CA THR A 42 -5.618 -9.681 14.565 1.00 0.00 C ATOM 718 C THR A 42 -5.647 -10.142 13.119 1.00 0.00 C ATOM 719 O THR A 42 -4.623 -10.532 12.563 1.00 0.00 O ATOM 720 CB THR A 42 -5.966 -10.841 15.500 1.00 0.00 C ATOM 721 OG1 THR A 42 -5.954 -10.416 16.851 1.00 0.00 O ATOM 722 CG2 THR A 42 -5.017 -12.013 15.379 1.00 0.00 C ATOM 0 H THR A 42 -7.465 -8.864 15.101 1.00 0.00 H new ATOM 0 HA THR A 42 -4.615 -9.336 14.817 1.00 0.00 H new ATOM 0 HB THR A 42 -6.961 -11.168 15.197 1.00 0.00 H new ATOM 0 HG1 THR A 42 -6.181 -11.171 17.433 1.00 0.00 H new ATOM 0 HG21 THR A 42 -5.321 -12.800 16.069 1.00 0.00 H new ATOM 0 HG22 THR A 42 -5.040 -12.396 14.359 1.00 0.00 H new ATOM 0 HG23 THR A 42 -4.005 -11.688 15.622 1.00 0.00 H new ATOM 730 N ARG A 43 -6.826 -10.071 12.500 1.00 0.00 N ATOM 731 CA ARG A 43 -6.960 -10.461 11.107 1.00 0.00 C ATOM 732 C ARG A 43 -6.095 -9.559 10.232 1.00 0.00 C ATOM 733 O ARG A 43 -5.579 -9.987 9.199 1.00 0.00 O ATOM 734 CB ARG A 43 -8.422 -10.402 10.674 1.00 0.00 C ATOM 735 CG ARG A 43 -9.003 -11.769 10.367 1.00 0.00 C ATOM 736 CD ARG A 43 -9.905 -12.259 11.488 1.00 0.00 C ATOM 737 NE ARG A 43 -10.572 -13.514 11.146 1.00 0.00 N ATOM 738 CZ ARG A 43 -11.664 -13.965 11.761 1.00 0.00 C ATOM 739 NH1 ARG A 43 -12.214 -13.268 12.747 1.00 0.00 N ATOM 740 NH2 ARG A 43 -12.207 -15.115 11.389 1.00 0.00 N ATOM 0 H ARG A 43 -7.689 -9.750 12.940 1.00 0.00 H new ATOM 0 HA ARG A 43 -6.618 -11.489 10.991 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -9.010 -9.932 11.462 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -8.509 -9.769 9.791 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -9.570 -11.723 9.437 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -8.194 -12.482 10.212 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -9.315 -12.397 12.394 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -10.654 -11.499 11.709 1.00 0.00 H new ATOM 0 HE ARG A 43 -10.178 -14.077 10.392 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -11.801 -12.382 13.038 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -13.050 -13.618 13.214 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -11.789 -15.655 10.632 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -13.043 -15.460 11.860 1.00 0.00 H new ATOM 754 N PHE A 44 -5.914 -8.315 10.675 1.00 0.00 N ATOM 755 CA PHE A 44 -5.087 -7.361 9.960 1.00 0.00 C ATOM 756 C PHE A 44 -3.617 -7.673 10.228 1.00 0.00 C ATOM 757 O PHE A 44 -2.830 -7.861 9.300 1.00 0.00 O ATOM 758 CB PHE A 44 -5.434 -5.937 10.400 1.00 0.00 C ATOM 759 CG PHE A 44 -4.250 -5.027 10.471 1.00 0.00 C ATOM 760 CD1 PHE A 44 -3.701 -4.497 9.319 1.00 0.00 C ATOM 761 CD2 PHE A 44 -3.684 -4.716 11.690 1.00 0.00 C ATOM 762 CE1 PHE A 44 -2.604 -3.667 9.380 1.00 0.00 C ATOM 763 CE2 PHE A 44 -2.583 -3.886 11.764 1.00 0.00 C ATOM 764 CZ PHE A 44 -2.041 -3.359 10.607 1.00 0.00 C ATOM 0 H PHE A 44 -6.334 -7.950 11.530 1.00 0.00 H new ATOM 0 HA PHE A 44 -5.273 -7.438 8.889 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -6.162 -5.518 9.705 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -5.912 -5.974 11.379 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -4.137 -4.736 8.360 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -4.106 -5.126 12.596 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -2.184 -3.257 8.473 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -2.147 -3.649 12.723 1.00 0.00 H new ATOM 0 HZ PHE A 44 -1.180 -2.709 10.660 1.00 0.00 H new ATOM 774 N GLN A 45 -3.261 -7.752 11.511 1.00 0.00 N ATOM 775 CA GLN A 45 -1.893 -8.071 11.904 1.00 0.00 C ATOM 776 C GLN A 45 -1.502 -9.437 11.348 1.00 0.00 C ATOM 777 O GLN A 45 -0.335 -9.694 11.053 1.00 0.00 O ATOM 778 CB GLN A 45 -1.758 -8.062 13.429 1.00 0.00 C ATOM 779 CG GLN A 45 -0.560 -7.272 13.928 1.00 0.00 C ATOM 780 CD GLN A 45 -0.286 -7.500 15.402 1.00 0.00 C ATOM 781 OE1 GLN A 45 0.859 -7.696 15.810 1.00 0.00 O ATOM 782 NE2 GLN A 45 -1.340 -7.477 16.210 1.00 0.00 N ATOM 0 H GLN A 45 -3.900 -7.600 12.291 1.00 0.00 H new ATOM 0 HA GLN A 45 -1.223 -7.314 11.495 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -2.666 -7.643 13.863 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -1.679 -9.089 13.785 1.00 0.00 H new ATOM 0 HG2 GLN A 45 0.321 -7.552 13.351 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -0.731 -6.210 13.754 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -2.271 -7.311 15.829 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -1.218 -7.625 17.212 1.00 0.00 H new ATOM 791 N ASN A 46 -2.503 -10.296 11.185 1.00 0.00 N ATOM 792 CA ASN A 46 -2.299 -11.631 10.636 1.00 0.00 C ATOM 793 C ASN A 46 -2.239 -11.544 9.119 1.00 0.00 C ATOM 794 O ASN A 46 -1.594 -12.356 8.458 1.00 0.00 O ATOM 795 CB ASN A 46 -3.425 -12.572 11.068 1.00 0.00 C ATOM 796 CG ASN A 46 -3.274 -13.036 12.504 1.00 0.00 C ATOM 797 OD1 ASN A 46 -3.025 -12.235 13.405 1.00 0.00 O ATOM 798 ND2 ASN A 46 -3.422 -14.337 12.725 1.00 0.00 N ATOM 0 H ASN A 46 -3.472 -10.088 11.428 1.00 0.00 H new ATOM 0 HA ASN A 46 -1.360 -12.033 11.016 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -4.383 -12.065 10.952 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -3.442 -13.440 10.409 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -3.330 -14.707 13.671 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -3.628 -14.966 11.949 1.00 0.00 H new ATOM 805 N ALA A 47 -2.889 -10.519 8.579 1.00 0.00 N ATOM 806 CA ALA A 47 -2.883 -10.280 7.151 1.00 0.00 C ATOM 807 C ALA A 47 -1.493 -9.832 6.750 1.00 0.00 C ATOM 808 O ALA A 47 -1.024 -10.111 5.646 1.00 0.00 O ATOM 809 CB ALA A 47 -3.923 -9.233 6.775 1.00 0.00 C ATOM 0 H ALA A 47 -3.428 -9.840 9.117 1.00 0.00 H new ATOM 0 HA ALA A 47 -3.141 -11.196 6.620 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -3.901 -9.069 5.698 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -4.913 -9.582 7.069 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -3.700 -8.298 7.289 1.00 0.00 H new ATOM 815 N CYS A 48 -0.819 -9.167 7.687 1.00 0.00 N ATOM 816 CA CYS A 48 0.544 -8.718 7.463 1.00 0.00 C ATOM 817 C CYS A 48 1.449 -9.932 7.348 1.00 0.00 C ATOM 818 O CYS A 48 2.532 -9.862 6.768 1.00 0.00 O ATOM 819 CB CYS A 48 1.010 -7.810 8.603 1.00 0.00 C ATOM 820 SG CYS A 48 0.784 -6.045 8.283 1.00 0.00 S ATOM 0 H CYS A 48 -1.198 -8.930 8.604 1.00 0.00 H new ATOM 0 HA CYS A 48 0.587 -8.140 6.540 1.00 0.00 H new ATOM 0 HB2 CYS A 48 0.467 -8.076 9.510 1.00 0.00 H new ATOM 0 HB3 CYS A 48 2.066 -8.001 8.796 1.00 0.00 H new ATOM 0 HG CYS A 48 1.004 -5.374 9.375 1.00 0.00 H new ATOM 826 N ARG A 49 0.978 -11.058 7.882 1.00 0.00 N ATOM 827 CA ARG A 49 1.733 -12.301 7.808 1.00 0.00 C ATOM 828 C ARG A 49 1.606 -12.880 6.399 1.00 0.00 C ATOM 829 O ARG A 49 2.482 -13.607 5.931 1.00 0.00 O ATOM 830 CB ARG A 49 1.243 -13.298 8.872 1.00 0.00 C ATOM 831 CG ARG A 49 1.128 -14.738 8.386 1.00 0.00 C ATOM 832 CD ARG A 49 0.784 -15.685 9.524 1.00 0.00 C ATOM 833 NE ARG A 49 -0.304 -16.593 9.169 1.00 0.00 N ATOM 834 CZ ARG A 49 -0.839 -17.475 10.011 1.00 0.00 C ATOM 835 NH1 ARG A 49 -0.389 -17.571 11.256 1.00 0.00 N ATOM 836 NH2 ARG A 49 -1.827 -18.263 9.607 1.00 0.00 N ATOM 0 H ARG A 49 0.083 -11.132 8.367 1.00 0.00 H new ATOM 0 HA ARG A 49 2.785 -12.103 8.013 1.00 0.00 H new ATOM 0 HB2 ARG A 49 1.926 -13.268 9.721 1.00 0.00 H new ATOM 0 HB3 ARG A 49 0.268 -12.972 9.235 1.00 0.00 H new ATOM 0 HG2 ARG A 49 0.361 -14.802 7.614 1.00 0.00 H new ATOM 0 HG3 ARG A 49 2.068 -15.045 7.928 1.00 0.00 H new ATOM 0 HD2 ARG A 49 1.667 -16.265 9.793 1.00 0.00 H new ATOM 0 HD3 ARG A 49 0.502 -15.107 10.404 1.00 0.00 H new ATOM 0 HE ARG A 49 -0.676 -16.549 8.220 1.00 0.00 H new ATOM 0 HH11 ARG A 49 0.370 -16.967 11.572 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -0.802 -18.248 11.897 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -2.177 -18.193 8.651 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -2.237 -18.939 10.252 1.00 0.00 H new ATOM 850 N ASP A 50 0.511 -12.529 5.727 1.00 0.00 N ATOM 851 CA ASP A 50 0.263 -12.984 4.365 1.00 0.00 C ATOM 852 C ASP A 50 0.620 -11.888 3.358 1.00 0.00 C ATOM 853 O ASP A 50 0.387 -12.036 2.159 1.00 0.00 O ATOM 854 CB ASP A 50 -1.203 -13.389 4.198 1.00 0.00 C ATOM 855 CG ASP A 50 -1.611 -14.492 5.156 1.00 0.00 C ATOM 856 OD1 ASP A 50 -1.682 -14.224 6.374 1.00 0.00 O ATOM 857 OD2 ASP A 50 -1.859 -15.622 4.687 1.00 0.00 O ATOM 0 H ASP A 50 -0.220 -11.928 6.108 1.00 0.00 H new ATOM 0 HA ASP A 50 0.894 -13.852 4.174 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -1.838 -12.518 4.359 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -1.371 -13.721 3.173 1.00 0.00 H new ATOM 862 N GLY A 51 1.198 -10.794 3.855 1.00 0.00 N ATOM 863 CA GLY A 51 1.591 -9.695 2.991 1.00 0.00 C ATOM 864 C GLY A 51 0.425 -9.066 2.255 1.00 0.00 C ATOM 865 O GLY A 51 0.592 -8.553 1.150 1.00 0.00 O ATOM 0 H GLY A 51 1.401 -10.651 4.844 1.00 0.00 H new ATOM 0 HA2 GLY A 51 2.089 -8.932 3.589 1.00 0.00 H new ATOM 0 HA3 GLY A 51 2.319 -10.055 2.264 1.00 0.00 H new ATOM 869 N ARG A 52 -0.755 -9.103 2.861 1.00 0.00 N ATOM 870 CA ARG A 52 -1.944 -8.529 2.246 1.00 0.00 C ATOM 871 C ARG A 52 -2.944 -8.027 3.278 1.00 0.00 C ATOM 872 O ARG A 52 -3.346 -8.756 4.183 1.00 0.00 O ATOM 873 CB ARG A 52 -2.615 -9.556 1.345 1.00 0.00 C ATOM 874 CG ARG A 52 -1.987 -9.615 -0.025 1.00 0.00 C ATOM 875 CD ARG A 52 -1.465 -11.007 -0.343 1.00 0.00 C ATOM 876 NE ARG A 52 -0.820 -11.065 -1.653 1.00 0.00 N ATOM 877 CZ ARG A 52 -0.611 -12.195 -2.326 1.00 0.00 C ATOM 878 NH1 ARG A 52 -0.990 -13.361 -1.816 1.00 0.00 N ATOM 879 NH2 ARG A 52 -0.020 -12.160 -3.513 1.00 0.00 N ATOM 0 H ARG A 52 -0.914 -9.524 3.776 1.00 0.00 H new ATOM 0 HA ARG A 52 -1.618 -7.672 1.657 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -2.555 -10.539 1.812 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -3.673 -9.313 1.247 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -2.721 -9.321 -0.775 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -1.169 -8.897 -0.082 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -0.754 -11.311 0.425 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -2.290 -11.719 -0.313 1.00 0.00 H new ATOM 0 HE ARG A 52 -0.512 -10.190 -2.076 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -1.444 -13.395 -0.903 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -0.827 -14.223 -2.337 1.00 0.00 H new ATOM 0 HH21 ARG A 52 0.274 -11.268 -3.910 1.00 0.00 H new ATOM 0 HH22 ARG A 52 0.140 -13.025 -4.029 1.00 0.00 H new ATOM 893 N SER A 53 -3.359 -6.780 3.106 1.00 0.00 N ATOM 894 CA SER A 53 -4.341 -6.159 3.991 1.00 0.00 C ATOM 895 C SER A 53 -5.257 -5.225 3.208 1.00 0.00 C ATOM 896 O SER A 53 -4.969 -4.865 2.064 1.00 0.00 O ATOM 897 CB SER A 53 -3.664 -5.399 5.134 1.00 0.00 C ATOM 898 OG SER A 53 -3.452 -4.038 4.798 1.00 0.00 O ATOM 0 H SER A 53 -3.029 -6.172 2.356 1.00 0.00 H new ATOM 0 HA SER A 53 -4.941 -6.958 4.426 1.00 0.00 H new ATOM 0 HB2 SER A 53 -4.281 -5.462 6.030 1.00 0.00 H new ATOM 0 HB3 SER A 53 -2.710 -5.870 5.371 1.00 0.00 H new ATOM 0 HG SER A 53 -2.622 -3.724 5.213 1.00 0.00 H new ATOM 904 N GLU A 54 -6.350 -4.823 3.838 1.00 0.00 N ATOM 905 CA GLU A 54 -7.307 -3.914 3.220 1.00 0.00 C ATOM 906 C GLU A 54 -7.399 -2.635 4.037 1.00 0.00 C ATOM 907 O GLU A 54 -7.877 -2.646 5.171 1.00 0.00 O ATOM 908 CB GLU A 54 -8.683 -4.572 3.112 1.00 0.00 C ATOM 909 CG GLU A 54 -9.653 -3.813 2.221 1.00 0.00 C ATOM 910 CD GLU A 54 -10.229 -4.676 1.114 1.00 0.00 C ATOM 911 OE1 GLU A 54 -10.351 -5.902 1.322 1.00 0.00 O ATOM 912 OE2 GLU A 54 -10.559 -4.127 0.043 1.00 0.00 O ATOM 0 H GLU A 54 -6.599 -5.114 4.784 1.00 0.00 H new ATOM 0 HA GLU A 54 -6.964 -3.674 2.214 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -8.563 -5.584 2.725 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -9.113 -4.661 4.110 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -10.467 -3.419 2.830 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -9.142 -2.957 1.780 1.00 0.00 H new ATOM 919 N ILE A 55 -6.914 -1.535 3.473 1.00 0.00 N ATOM 920 CA ILE A 55 -6.925 -0.261 4.179 1.00 0.00 C ATOM 921 C ILE A 55 -7.830 0.758 3.501 1.00 0.00 C ATOM 922 O ILE A 55 -7.935 0.806 2.277 1.00 0.00 O ATOM 923 CB ILE A 55 -5.505 0.331 4.293 1.00 0.00 C ATOM 924 CG1 ILE A 55 -4.465 -0.786 4.425 1.00 0.00 C ATOM 925 CG2 ILE A 55 -5.419 1.283 5.478 1.00 0.00 C ATOM 926 CD1 ILE A 55 -4.577 -1.567 5.718 1.00 0.00 C ATOM 0 H ILE A 55 -6.511 -1.500 2.536 1.00 0.00 H new ATOM 0 HA ILE A 55 -7.313 -0.469 5.176 1.00 0.00 H new ATOM 0 HB ILE A 55 -5.292 0.892 3.383 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -4.572 -1.472 3.585 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -3.467 -0.352 4.357 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -4.411 1.692 5.544 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -6.132 2.096 5.344 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -5.653 0.743 6.396 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -3.810 -2.341 5.743 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -4.440 -0.893 6.563 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -5.562 -2.030 5.779 1.00 0.00 H new ATOM 938 N ALA A 56 -8.475 1.578 4.322 1.00 0.00 N ATOM 939 CA ALA A 56 -9.371 2.616 3.834 1.00 0.00 C ATOM 940 C ALA A 56 -8.711 3.983 3.933 1.00 0.00 C ATOM 941 O ALA A 56 -7.815 4.195 4.751 1.00 0.00 O ATOM 942 CB ALA A 56 -10.674 2.603 4.612 1.00 0.00 C ATOM 0 H ALA A 56 -8.392 1.542 5.338 1.00 0.00 H new ATOM 0 HA ALA A 56 -9.590 2.413 2.786 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -11.332 3.386 4.234 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -11.158 1.634 4.494 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -10.469 2.780 5.668 1.00 0.00 H new ATOM 948 N PHE A 57 -9.148 4.905 3.088 1.00 0.00 N ATOM 949 CA PHE A 57 -8.590 6.249 3.075 1.00 0.00 C ATOM 950 C PHE A 57 -9.569 7.225 3.731 1.00 0.00 C ATOM 951 O PHE A 57 -10.723 7.320 3.317 1.00 0.00 O ATOM 952 CB PHE A 57 -8.326 6.648 1.623 1.00 0.00 C ATOM 953 CG PHE A 57 -7.151 7.560 1.424 1.00 0.00 C ATOM 954 CD1 PHE A 57 -5.863 7.054 1.470 1.00 0.00 C ATOM 955 CD2 PHE A 57 -7.330 8.907 1.164 1.00 0.00 C ATOM 956 CE1 PHE A 57 -4.772 7.874 1.260 1.00 0.00 C ATOM 957 CE2 PHE A 57 -6.244 9.734 0.958 1.00 0.00 C ATOM 958 CZ PHE A 57 -4.963 9.216 1.004 1.00 0.00 C ATOM 0 H PHE A 57 -9.887 4.747 2.403 1.00 0.00 H new ATOM 0 HA PHE A 57 -7.656 6.276 3.637 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -8.169 5.743 1.035 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -9.217 7.135 1.227 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -5.710 6.004 1.673 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -8.329 9.315 1.122 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -3.773 7.466 1.296 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -6.395 10.785 0.761 1.00 0.00 H new ATOM 0 HZ PHE A 57 -4.113 9.861 0.840 1.00 0.00 H new ATOM 968 N VAL A 58 -9.118 7.933 4.764 1.00 0.00 N ATOM 969 CA VAL A 58 -9.982 8.878 5.473 1.00 0.00 C ATOM 970 C VAL A 58 -10.165 10.186 4.707 1.00 0.00 C ATOM 971 O VAL A 58 -11.199 10.842 4.826 1.00 0.00 O ATOM 972 CB VAL A 58 -9.443 9.197 6.880 1.00 0.00 C ATOM 973 CG1 VAL A 58 -10.471 9.982 7.680 1.00 0.00 C ATOM 974 CG2 VAL A 58 -9.057 7.919 7.610 1.00 0.00 C ATOM 0 H VAL A 58 -8.167 7.872 5.128 1.00 0.00 H new ATOM 0 HA VAL A 58 -10.950 8.385 5.559 1.00 0.00 H new ATOM 0 HB VAL A 58 -8.549 9.812 6.773 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -10.073 10.198 8.671 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -10.695 10.917 7.167 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -11.384 9.394 7.776 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -8.679 8.167 8.602 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -9.932 7.276 7.705 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -8.283 7.398 7.046 1.00 0.00 H new ATOM 984 N ALA A 59 -9.153 10.571 3.936 1.00 0.00 N ATOM 985 CA ALA A 59 -9.205 11.816 3.170 1.00 0.00 C ATOM 986 C ALA A 59 -10.528 11.977 2.427 1.00 0.00 C ATOM 987 O ALA A 59 -11.225 12.978 2.596 1.00 0.00 O ATOM 988 CB ALA A 59 -8.044 11.881 2.192 1.00 0.00 C ATOM 0 H ALA A 59 -8.288 10.042 3.824 1.00 0.00 H new ATOM 0 HA ALA A 59 -9.126 12.639 3.880 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -8.095 12.813 1.628 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -7.103 11.840 2.741 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -8.100 11.037 1.504 1.00 0.00 H new ATOM 994 N THR A 60 -10.867 10.995 1.598 1.00 0.00 N ATOM 995 CA THR A 60 -12.104 11.044 0.825 1.00 0.00 C ATOM 996 C THR A 60 -13.006 9.848 1.124 1.00 0.00 C ATOM 997 O THR A 60 -14.219 9.915 0.933 1.00 0.00 O ATOM 998 CB THR A 60 -11.790 11.096 -0.671 1.00 0.00 C ATOM 999 OG1 THR A 60 -11.011 9.977 -1.057 1.00 0.00 O ATOM 1000 CG2 THR A 60 -11.036 12.342 -1.083 1.00 0.00 C ATOM 0 H THR A 60 -10.305 10.158 1.444 1.00 0.00 H new ATOM 0 HA THR A 60 -12.638 11.948 1.117 1.00 0.00 H new ATOM 0 HB THR A 60 -12.759 11.096 -1.170 1.00 0.00 H new ATOM 0 HG1 THR A 60 -10.821 10.026 -2.017 1.00 0.00 H new ATOM 0 HG21 THR A 60 -10.846 12.314 -2.156 1.00 0.00 H new ATOM 0 HG22 THR A 60 -11.631 13.223 -0.842 1.00 0.00 H new ATOM 0 HG23 THR A 60 -10.088 12.387 -0.548 1.00 0.00 H new ATOM 1008 N GLY A 61 -12.411 8.753 1.587 1.00 0.00 N ATOM 1009 CA GLY A 61 -13.186 7.565 1.893 1.00 0.00 C ATOM 1010 C GLY A 61 -13.078 6.515 0.806 1.00 0.00 C ATOM 1011 O GLY A 61 -14.059 5.850 0.475 1.00 0.00 O ATOM 0 H GLY A 61 -11.409 8.667 1.755 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -12.844 7.144 2.838 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -14.232 7.840 2.027 1.00 0.00 H new ATOM 1015 N THR A 62 -11.882 6.371 0.245 1.00 0.00 N ATOM 1016 CA THR A 62 -11.646 5.401 -0.817 1.00 0.00 C ATOM 1017 C THR A 62 -11.041 4.114 -0.263 1.00 0.00 C ATOM 1018 O THR A 62 -10.011 4.140 0.410 1.00 0.00 O ATOM 1019 CB THR A 62 -10.721 5.996 -1.882 1.00 0.00 C ATOM 1020 OG1 THR A 62 -10.386 5.023 -2.855 1.00 0.00 O ATOM 1021 CG2 THR A 62 -9.427 6.543 -1.316 1.00 0.00 C ATOM 0 H THR A 62 -11.060 6.915 0.509 1.00 0.00 H new ATOM 0 HA THR A 62 -12.607 5.159 -1.271 1.00 0.00 H new ATOM 0 HB THR A 62 -11.282 6.820 -2.323 1.00 0.00 H new ATOM 0 HG1 THR A 62 -9.796 5.423 -3.528 1.00 0.00 H new ATOM 0 HG21 THR A 62 -8.819 6.949 -2.125 1.00 0.00 H new ATOM 0 HG22 THR A 62 -9.649 7.332 -0.597 1.00 0.00 H new ATOM 0 HG23 THR A 62 -8.880 5.742 -0.818 1.00 0.00 H new ATOM 1029 N ASN A 63 -11.682 2.987 -0.563 1.00 0.00 N ATOM 1030 CA ASN A 63 -11.201 1.688 -0.104 1.00 0.00 C ATOM 1031 C ASN A 63 -10.063 1.209 -0.997 1.00 0.00 C ATOM 1032 O ASN A 63 -10.064 1.463 -2.202 1.00 0.00 O ATOM 1033 CB ASN A 63 -12.338 0.664 -0.108 1.00 0.00 C ATOM 1034 CG ASN A 63 -11.946 -0.639 0.560 1.00 0.00 C ATOM 1035 OD1 ASN A 63 -10.807 -0.807 0.998 1.00 0.00 O ATOM 1036 ND2 ASN A 63 -12.889 -1.570 0.641 1.00 0.00 N ATOM 0 H ASN A 63 -12.535 2.948 -1.121 1.00 0.00 H new ATOM 0 HA ASN A 63 -10.833 1.794 0.916 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -13.204 1.085 0.403 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -12.640 0.465 -1.136 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -12.683 -2.468 1.080 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -13.819 -1.388 0.265 1.00 0.00 H new ATOM 1043 N LEU A 64 -9.082 0.531 -0.407 1.00 0.00 N ATOM 1044 CA LEU A 64 -7.941 0.048 -1.175 1.00 0.00 C ATOM 1045 C LEU A 64 -7.458 -1.320 -0.705 1.00 0.00 C ATOM 1046 O LEU A 64 -7.265 -1.552 0.489 1.00 0.00 O ATOM 1047 CB LEU A 64 -6.787 1.048 -1.079 1.00 0.00 C ATOM 1048 CG LEU A 64 -7.124 2.477 -1.516 1.00 0.00 C ATOM 1049 CD1 LEU A 64 -7.056 3.431 -0.333 1.00 0.00 C ATOM 1050 CD2 LEU A 64 -6.184 2.933 -2.624 1.00 0.00 C ATOM 0 H LEU A 64 -9.054 0.306 0.588 1.00 0.00 H new ATOM 0 HA LEU A 64 -8.273 -0.053 -2.208 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -6.435 1.074 -0.048 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -5.960 0.684 -1.689 1.00 0.00 H new ATOM 0 HG LEU A 64 -8.143 2.484 -1.903 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -7.299 4.440 -0.665 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -7.770 3.118 0.428 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -6.050 3.419 0.087 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -6.439 3.950 -2.921 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -5.156 2.907 -2.263 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -6.284 2.268 -3.482 1.00 0.00 H new ATOM 1062 N SER A 65 -7.227 -2.207 -1.668 1.00 0.00 N ATOM 1063 CA SER A 65 -6.718 -3.543 -1.385 1.00 0.00 C ATOM 1064 C SER A 65 -5.249 -3.594 -1.783 1.00 0.00 C ATOM 1065 O SER A 65 -4.915 -3.450 -2.959 1.00 0.00 O ATOM 1066 CB SER A 65 -7.516 -4.599 -2.154 1.00 0.00 C ATOM 1067 OG SER A 65 -8.910 -4.408 -1.986 1.00 0.00 O ATOM 0 H SER A 65 -7.386 -2.022 -2.658 1.00 0.00 H new ATOM 0 HA SER A 65 -6.822 -3.758 -0.321 1.00 0.00 H new ATOM 0 HB2 SER A 65 -7.264 -4.549 -3.213 1.00 0.00 H new ATOM 0 HB3 SER A 65 -7.238 -5.594 -1.806 1.00 0.00 H new ATOM 0 HG SER A 65 -9.108 -4.257 -1.038 1.00 0.00 H new ATOM 1073 N LEU A 66 -4.369 -3.743 -0.801 1.00 0.00 N ATOM 1074 CA LEU A 66 -2.936 -3.745 -1.073 1.00 0.00 C ATOM 1075 C LEU A 66 -2.293 -5.112 -0.879 1.00 0.00 C ATOM 1076 O LEU A 66 -2.725 -5.916 -0.053 1.00 0.00 O ATOM 1077 CB LEU A 66 -2.223 -2.725 -0.180 1.00 0.00 C ATOM 1078 CG LEU A 66 -3.083 -1.555 0.311 1.00 0.00 C ATOM 1079 CD1 LEU A 66 -2.834 -1.297 1.787 1.00 0.00 C ATOM 1080 CD2 LEU A 66 -2.797 -0.306 -0.508 1.00 0.00 C ATOM 0 H LEU A 66 -4.618 -3.863 0.181 1.00 0.00 H new ATOM 0 HA LEU A 66 -2.825 -3.475 -2.123 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -1.823 -3.247 0.689 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -1.372 -2.321 -0.729 1.00 0.00 H new ATOM 0 HG LEU A 66 -4.133 -1.817 0.181 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -3.452 -0.463 2.120 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -3.088 -2.189 2.360 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -1.783 -1.054 1.942 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -3.416 0.516 -0.147 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -1.745 -0.039 -0.409 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -3.025 -0.498 -1.556 1.00 0.00 H new ATOM 1092 N GLN A 67 -1.225 -5.337 -1.638 1.00 0.00 N ATOM 1093 CA GLN A 67 -0.454 -6.570 -1.563 1.00 0.00 C ATOM 1094 C GLN A 67 1.014 -6.219 -1.356 1.00 0.00 C ATOM 1095 O GLN A 67 1.688 -5.765 -2.279 1.00 0.00 O ATOM 1096 CB GLN A 67 -0.629 -7.394 -2.840 1.00 0.00 C ATOM 1097 CG GLN A 67 -2.078 -7.709 -3.167 1.00 0.00 C ATOM 1098 CD GLN A 67 -2.217 -8.793 -4.218 1.00 0.00 C ATOM 1099 OE1 GLN A 67 -1.299 -9.034 -5.001 1.00 0.00 O ATOM 1100 NE2 GLN A 67 -3.368 -9.453 -4.239 1.00 0.00 N ATOM 0 H GLN A 67 -0.871 -4.668 -2.322 1.00 0.00 H new ATOM 0 HA GLN A 67 -0.811 -7.171 -0.726 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -0.186 -6.852 -3.676 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -0.077 -8.328 -2.738 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -2.592 -8.022 -2.258 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -2.573 -6.803 -3.517 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -4.102 -9.220 -3.570 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -3.519 -10.194 -4.924 1.00 0.00 H new ATOM 1109 N PHE A 68 1.492 -6.400 -0.133 1.00 0.00 N ATOM 1110 CA PHE A 68 2.872 -6.066 0.207 1.00 0.00 C ATOM 1111 C PHE A 68 3.739 -7.291 0.464 1.00 0.00 C ATOM 1112 O PHE A 68 3.487 -8.086 1.370 1.00 0.00 O ATOM 1113 CB PHE A 68 2.915 -5.117 1.406 1.00 0.00 C ATOM 1114 CG PHE A 68 1.643 -5.087 2.199 1.00 0.00 C ATOM 1115 CD1 PHE A 68 1.229 -6.181 2.948 1.00 0.00 C ATOM 1116 CD2 PHE A 68 0.852 -3.953 2.180 1.00 0.00 C ATOM 1117 CE1 PHE A 68 0.050 -6.132 3.663 1.00 0.00 C ATOM 1118 CE2 PHE A 68 -0.324 -3.901 2.889 1.00 0.00 C ATOM 1119 CZ PHE A 68 -0.725 -4.990 3.631 1.00 0.00 C ATOM 0 H PHE A 68 0.946 -6.776 0.642 1.00 0.00 H new ATOM 0 HA PHE A 68 3.293 -5.566 -0.665 1.00 0.00 H new ATOM 0 HB2 PHE A 68 3.734 -5.412 2.062 1.00 0.00 H new ATOM 0 HB3 PHE A 68 3.136 -4.110 1.053 1.00 0.00 H new ATOM 0 HD1 PHE A 68 1.834 -7.076 2.971 1.00 0.00 H new ATOM 0 HD2 PHE A 68 1.163 -3.097 1.600 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -0.266 -6.985 4.246 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -0.932 -3.009 2.865 1.00 0.00 H new ATOM 0 HZ PHE A 68 -1.649 -4.950 4.189 1.00 0.00 H new ATOM 1129 N PHE A 69 4.777 -7.398 -0.349 1.00 0.00 N ATOM 1130 CA PHE A 69 5.748 -8.478 -0.266 1.00 0.00 C ATOM 1131 C PHE A 69 7.039 -8.052 -0.956 1.00 0.00 C ATOM 1132 O PHE A 69 7.017 -7.196 -1.840 1.00 0.00 O ATOM 1133 CB PHE A 69 5.209 -9.754 -0.915 1.00 0.00 C ATOM 1134 CG PHE A 69 4.461 -10.658 0.026 1.00 0.00 C ATOM 1135 CD1 PHE A 69 4.873 -10.826 1.344 1.00 0.00 C ATOM 1136 CD2 PHE A 69 3.344 -11.351 -0.414 1.00 0.00 C ATOM 1137 CE1 PHE A 69 4.180 -11.666 2.197 1.00 0.00 C ATOM 1138 CE2 PHE A 69 2.652 -12.191 0.435 1.00 0.00 C ATOM 1139 CZ PHE A 69 3.070 -12.348 1.741 1.00 0.00 C ATOM 0 H PHE A 69 4.972 -6.730 -1.094 1.00 0.00 H new ATOM 0 HA PHE A 69 5.943 -8.689 0.785 1.00 0.00 H new ATOM 0 HB2 PHE A 69 4.549 -9.479 -1.737 1.00 0.00 H new ATOM 0 HB3 PHE A 69 6.042 -10.308 -1.347 1.00 0.00 H new ATOM 0 HD1 PHE A 69 5.742 -10.296 1.705 1.00 0.00 H new ATOM 0 HD2 PHE A 69 3.011 -11.232 -1.434 1.00 0.00 H new ATOM 0 HE1 PHE A 69 4.507 -11.788 3.219 1.00 0.00 H new ATOM 0 HE2 PHE A 69 1.784 -12.725 0.078 1.00 0.00 H new ATOM 0 HZ PHE A 69 2.529 -13.004 2.406 1.00 0.00 H new ATOM 1149 N PRO A 70 8.182 -8.639 -0.579 1.00 0.00 N ATOM 1150 CA PRO A 70 9.466 -8.297 -1.193 1.00 0.00 C ATOM 1151 C PRO A 70 9.422 -8.425 -2.712 1.00 0.00 C ATOM 1152 O PRO A 70 9.297 -9.524 -3.250 1.00 0.00 O ATOM 1153 CB PRO A 70 10.436 -9.319 -0.594 1.00 0.00 C ATOM 1154 CG PRO A 70 9.803 -9.746 0.686 1.00 0.00 C ATOM 1155 CD PRO A 70 8.318 -9.677 0.459 1.00 0.00 C ATOM 0 HA PRO A 70 9.752 -7.263 -0.998 1.00 0.00 H new ATOM 0 HB2 PRO A 70 10.581 -10.166 -1.265 1.00 0.00 H new ATOM 0 HB3 PRO A 70 11.418 -8.878 -0.421 1.00 0.00 H new ATOM 0 HG2 PRO A 70 10.110 -10.757 0.955 1.00 0.00 H new ATOM 0 HG3 PRO A 70 10.103 -9.093 1.506 1.00 0.00 H new ATOM 0 HD2 PRO A 70 7.917 -10.634 0.126 1.00 0.00 H new ATOM 0 HD3 PRO A 70 7.784 -9.407 1.370 1.00 0.00 H new ATOM 1163 N ALA A 71 9.518 -7.289 -3.398 1.00 0.00 N ATOM 1164 CA ALA A 71 9.481 -7.267 -4.855 1.00 0.00 C ATOM 1165 C ALA A 71 10.554 -8.168 -5.461 1.00 0.00 C ATOM 1166 O ALA A 71 10.453 -8.574 -6.620 1.00 0.00 O ATOM 1167 CB ALA A 71 9.638 -5.841 -5.362 1.00 0.00 C ATOM 0 H ALA A 71 9.622 -6.371 -2.966 1.00 0.00 H new ATOM 0 HA ALA A 71 8.512 -7.654 -5.169 1.00 0.00 H new ATOM 0 HB1 ALA A 71 9.609 -5.837 -6.452 1.00 0.00 H new ATOM 0 HB2 ALA A 71 8.826 -5.226 -4.975 1.00 0.00 H new ATOM 0 HB3 ALA A 71 10.592 -5.437 -5.023 1.00 0.00 H new ATOM 1173 N SER A 72 11.584 -8.479 -4.678 1.00 0.00 N ATOM 1174 CA SER A 72 12.670 -9.331 -5.149 1.00 0.00 C ATOM 1175 C SER A 72 12.434 -10.793 -4.772 1.00 0.00 C ATOM 1176 O SER A 72 13.379 -11.575 -4.673 1.00 0.00 O ATOM 1177 CB SER A 72 14.004 -8.854 -4.573 1.00 0.00 C ATOM 1178 OG SER A 72 14.647 -7.950 -5.456 1.00 0.00 O ATOM 0 H SER A 72 11.688 -8.154 -3.717 1.00 0.00 H new ATOM 0 HA SER A 72 12.701 -9.261 -6.236 1.00 0.00 H new ATOM 0 HB2 SER A 72 13.836 -8.370 -3.611 1.00 0.00 H new ATOM 0 HB3 SER A 72 14.652 -9.711 -4.390 1.00 0.00 H new ATOM 0 HG SER A 72 15.497 -7.658 -5.064 1.00 0.00 H new ATOM 1319 N PRO A 81 6.653 -12.803 5.574 1.00 0.00 N ATOM 1320 CA PRO A 81 7.068 -11.562 4.917 1.00 0.00 C ATOM 1321 C PRO A 81 8.273 -10.918 5.587 1.00 0.00 C ATOM 1322 O PRO A 81 8.688 -11.324 6.673 1.00 0.00 O ATOM 1323 CB PRO A 81 5.840 -10.643 5.048 1.00 0.00 C ATOM 1324 CG PRO A 81 4.866 -11.377 5.913 1.00 0.00 C ATOM 1325 CD PRO A 81 5.202 -12.834 5.785 1.00 0.00 C ATOM 0 HA PRO A 81 7.374 -11.745 3.887 1.00 0.00 H new ATOM 0 HB2 PRO A 81 6.114 -9.687 5.494 1.00 0.00 H new ATOM 0 HB3 PRO A 81 5.408 -10.427 4.071 1.00 0.00 H new ATOM 0 HG2 PRO A 81 4.944 -11.050 6.950 1.00 0.00 H new ATOM 0 HG3 PRO A 81 3.842 -11.185 5.594 1.00 0.00 H new ATOM 0 HD2 PRO A 81 4.933 -13.393 6.681 1.00 0.00 H new ATOM 0 HD3 PRO A 81 4.679 -13.300 4.950 1.00 0.00 H new ATOM 1333 N SER A 82 8.822 -9.902 4.935 1.00 0.00 N ATOM 1334 CA SER A 82 9.973 -9.184 5.467 1.00 0.00 C ATOM 1335 C SER A 82 9.584 -7.756 5.830 1.00 0.00 C ATOM 1336 O SER A 82 8.555 -7.255 5.378 1.00 0.00 O ATOM 1337 CB SER A 82 11.115 -9.173 4.447 1.00 0.00 C ATOM 1338 OG SER A 82 12.265 -8.534 4.975 1.00 0.00 O ATOM 0 H SER A 82 8.488 -9.556 4.035 1.00 0.00 H new ATOM 0 HA SER A 82 10.313 -9.696 6.367 1.00 0.00 H new ATOM 0 HB2 SER A 82 11.362 -10.196 4.162 1.00 0.00 H new ATOM 0 HB3 SER A 82 10.793 -8.659 3.541 1.00 0.00 H new ATOM 0 HG SER A 82 12.980 -8.542 4.305 1.00 0.00 H new ATOM 1344 N ARG A 83 10.408 -7.100 6.643 1.00 0.00 N ATOM 1345 CA ARG A 83 10.131 -5.726 7.052 1.00 0.00 C ATOM 1346 C ARG A 83 10.325 -4.752 5.888 1.00 0.00 C ATOM 1347 O ARG A 83 10.066 -3.556 6.024 1.00 0.00 O ATOM 1348 CB ARG A 83 11.005 -5.316 8.243 1.00 0.00 C ATOM 1349 CG ARG A 83 11.349 -6.462 9.187 1.00 0.00 C ATOM 1350 CD ARG A 83 11.022 -6.112 10.631 1.00 0.00 C ATOM 1351 NE ARG A 83 11.274 -7.230 11.538 1.00 0.00 N ATOM 1352 CZ ARG A 83 12.472 -7.528 12.033 1.00 0.00 C ATOM 1353 NH1 ARG A 83 13.534 -6.802 11.707 1.00 0.00 N ATOM 1354 NH2 ARG A 83 12.611 -8.559 12.857 1.00 0.00 N ATOM 0 H ARG A 83 11.266 -7.494 7.029 1.00 0.00 H new ATOM 0 HA ARG A 83 9.087 -5.682 7.363 1.00 0.00 H new ATOM 0 HB2 ARG A 83 11.930 -4.879 7.867 1.00 0.00 H new ATOM 0 HB3 ARG A 83 10.490 -4.538 8.806 1.00 0.00 H new ATOM 0 HG2 ARG A 83 10.796 -7.355 8.894 1.00 0.00 H new ATOM 0 HG3 ARG A 83 12.409 -6.700 9.100 1.00 0.00 H new ATOM 0 HD2 ARG A 83 11.619 -5.254 10.940 1.00 0.00 H new ATOM 0 HD3 ARG A 83 9.976 -5.815 10.704 1.00 0.00 H new ATOM 0 HE ARG A 83 10.484 -7.817 11.807 1.00 0.00 H new ATOM 0 HH11 ARG A 83 13.435 -6.009 11.073 1.00 0.00 H new ATOM 0 HH12 ARG A 83 14.449 -7.037 12.091 1.00 0.00 H new ATOM 0 HH21 ARG A 83 11.799 -9.122 13.110 1.00 0.00 H new ATOM 0 HH22 ARG A 83 13.529 -8.788 13.237 1.00 0.00 H new ATOM 1368 N GLU A 84 10.764 -5.269 4.740 1.00 0.00 N ATOM 1369 CA GLU A 84 10.967 -4.443 3.556 1.00 0.00 C ATOM 1370 C GLU A 84 9.665 -3.770 3.157 1.00 0.00 C ATOM 1371 O GLU A 84 9.609 -2.554 2.973 1.00 0.00 O ATOM 1372 CB GLU A 84 11.498 -5.293 2.398 1.00 0.00 C ATOM 1373 CG GLU A 84 13.017 -5.338 2.323 1.00 0.00 C ATOM 1374 CD GLU A 84 13.548 -4.862 0.985 1.00 0.00 C ATOM 1375 OE1 GLU A 84 13.178 -5.459 -0.048 1.00 0.00 O ATOM 1376 OE2 GLU A 84 14.334 -3.891 0.970 1.00 0.00 O ATOM 0 H GLU A 84 10.985 -6.256 4.608 1.00 0.00 H new ATOM 0 HA GLU A 84 11.703 -3.674 3.790 1.00 0.00 H new ATOM 0 HB2 GLU A 84 11.117 -6.309 2.500 1.00 0.00 H new ATOM 0 HB3 GLU A 84 11.108 -4.899 1.460 1.00 0.00 H new ATOM 0 HG2 GLU A 84 13.435 -4.719 3.117 1.00 0.00 H new ATOM 0 HG3 GLU A 84 13.356 -6.358 2.502 1.00 0.00 H new ATOM 1383 N TYR A 85 8.615 -4.572 3.029 1.00 0.00 N ATOM 1384 CA TYR A 85 7.309 -4.057 2.655 1.00 0.00 C ATOM 1385 C TYR A 85 6.338 -4.156 3.826 1.00 0.00 C ATOM 1386 O TYR A 85 5.403 -3.370 3.934 1.00 0.00 O ATOM 1387 CB TYR A 85 6.774 -4.797 1.434 1.00 0.00 C ATOM 1388 CG TYR A 85 7.412 -4.332 0.144 1.00 0.00 C ATOM 1389 CD1 TYR A 85 8.787 -4.139 0.057 1.00 0.00 C ATOM 1390 CD2 TYR A 85 6.641 -4.082 -0.982 1.00 0.00 C ATOM 1391 CE1 TYR A 85 9.373 -3.711 -1.120 1.00 0.00 C ATOM 1392 CE2 TYR A 85 7.221 -3.654 -2.162 1.00 0.00 C ATOM 1393 CZ TYR A 85 8.586 -3.471 -2.225 1.00 0.00 C ATOM 1394 OH TYR A 85 9.166 -3.044 -3.398 1.00 0.00 O ATOM 0 H TYR A 85 8.645 -5.580 3.179 1.00 0.00 H new ATOM 0 HA TYR A 85 7.412 -3.004 2.393 1.00 0.00 H new ATOM 0 HB2 TYR A 85 6.949 -5.866 1.556 1.00 0.00 H new ATOM 0 HB3 TYR A 85 5.695 -4.656 1.373 1.00 0.00 H new ATOM 0 HD1 TYR A 85 9.406 -4.326 0.922 1.00 0.00 H new ATOM 0 HD2 TYR A 85 5.571 -4.224 -0.936 1.00 0.00 H new ATOM 0 HE1 TYR A 85 10.442 -3.566 -1.173 1.00 0.00 H new ATOM 0 HE2 TYR A 85 6.608 -3.464 -3.030 1.00 0.00 H new ATOM 0 HH TYR A 85 8.473 -2.922 -4.080 1.00 0.00 H new ATOM 1404 N VAL A 86 6.585 -5.103 4.722 1.00 0.00 N ATOM 1405 CA VAL A 86 5.750 -5.267 5.905 1.00 0.00 C ATOM 1406 C VAL A 86 6.627 -5.462 7.128 1.00 0.00 C ATOM 1407 O VAL A 86 7.257 -6.506 7.295 1.00 0.00 O ATOM 1408 CB VAL A 86 4.773 -6.453 5.803 1.00 0.00 C ATOM 1409 CG1 VAL A 86 3.365 -5.966 5.496 1.00 0.00 C ATOM 1410 CG2 VAL A 86 5.233 -7.464 4.763 1.00 0.00 C ATOM 0 H VAL A 86 7.355 -5.768 4.652 1.00 0.00 H new ATOM 0 HA VAL A 86 5.153 -4.359 5.988 1.00 0.00 H new ATOM 0 HB VAL A 86 4.760 -6.956 6.770 1.00 0.00 H new ATOM 0 HG11 VAL A 86 2.691 -6.820 5.428 1.00 0.00 H new ATOM 0 HG12 VAL A 86 3.029 -5.301 6.291 1.00 0.00 H new ATOM 0 HG13 VAL A 86 3.365 -5.428 4.548 1.00 0.00 H new ATOM 0 HG21 VAL A 86 4.521 -8.288 4.717 1.00 0.00 H new ATOM 0 HG22 VAL A 86 5.293 -6.981 3.788 1.00 0.00 H new ATOM 0 HG23 VAL A 86 6.215 -7.848 5.039 1.00 0.00 H new ATOM 1420 N ASP A 87 6.669 -4.447 7.971 1.00 0.00 N ATOM 1421 CA ASP A 87 7.483 -4.482 9.176 1.00 0.00 C ATOM 1422 C ASP A 87 6.627 -4.626 10.423 1.00 0.00 C ATOM 1423 O ASP A 87 5.611 -3.949 10.575 1.00 0.00 O ATOM 1424 CB ASP A 87 8.335 -3.214 9.271 1.00 0.00 C ATOM 1425 CG ASP A 87 9.266 -3.222 10.470 1.00 0.00 C ATOM 1426 OD1 ASP A 87 8.804 -3.550 11.582 1.00 0.00 O ATOM 1427 OD2 ASP A 87 10.459 -2.896 10.295 1.00 0.00 O ATOM 0 H ASP A 87 6.145 -3.581 7.843 1.00 0.00 H new ATOM 0 HA ASP A 87 8.134 -5.354 9.113 1.00 0.00 H new ATOM 0 HB2 ASP A 87 8.924 -3.108 8.360 1.00 0.00 H new ATOM 0 HB3 ASP A 87 7.680 -2.345 9.331 1.00 0.00 H new ATOM 1515 N GLY A 93 4.009 0.850 18.656 1.00 0.00 N ATOM 1516 CA GLY A 93 2.670 1.404 18.571 1.00 0.00 C ATOM 1517 C GLY A 93 1.838 0.801 17.455 1.00 0.00 C ATOM 1518 O GLY A 93 0.842 0.125 17.713 1.00 0.00 O ATOM 0 HA2 GLY A 93 2.159 1.247 19.521 1.00 0.00 H new ATOM 0 HA3 GLY A 93 2.739 2.481 18.421 1.00 0.00 H new ATOM 1522 N LYS A 94 2.235 1.059 16.213 1.00 0.00 N ATOM 1523 CA LYS A 94 1.503 0.549 15.056 1.00 0.00 C ATOM 1524 C LYS A 94 2.455 -0.098 14.054 1.00 0.00 C ATOM 1525 O LYS A 94 3.669 -0.089 14.242 1.00 0.00 O ATOM 1526 CB LYS A 94 0.720 1.680 14.372 1.00 0.00 C ATOM 1527 CG LYS A 94 0.481 2.900 15.253 1.00 0.00 C ATOM 1528 CD LYS A 94 1.438 4.034 14.911 1.00 0.00 C ATOM 1529 CE LYS A 94 2.447 4.271 16.023 1.00 0.00 C ATOM 1530 NZ LYS A 94 2.127 5.494 16.809 1.00 0.00 N ATOM 0 H LYS A 94 3.057 1.616 15.981 1.00 0.00 H new ATOM 0 HA LYS A 94 0.801 -0.206 15.410 1.00 0.00 H new ATOM 0 HB2 LYS A 94 1.261 1.992 13.479 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -0.243 1.291 14.042 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -0.547 3.241 15.132 1.00 0.00 H new ATOM 0 HG3 LYS A 94 0.603 2.623 16.300 1.00 0.00 H new ATOM 0 HD2 LYS A 94 1.964 3.800 13.986 1.00 0.00 H new ATOM 0 HD3 LYS A 94 0.871 4.948 14.733 1.00 0.00 H new ATOM 0 HE2 LYS A 94 2.466 3.407 16.687 1.00 0.00 H new ATOM 0 HE3 LYS A 94 3.445 4.365 15.594 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 2.838 5.621 17.558 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 2.134 6.322 16.180 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 1.185 5.394 17.239 1.00 0.00 H new ATOM 1544 N VAL A 95 1.894 -0.655 12.983 1.00 0.00 N ATOM 1545 CA VAL A 95 2.700 -1.303 11.949 1.00 0.00 C ATOM 1546 C VAL A 95 2.465 -0.652 10.589 1.00 0.00 C ATOM 1547 O VAL A 95 1.326 -0.374 10.219 1.00 0.00 O ATOM 1548 CB VAL A 95 2.386 -2.815 11.851 1.00 0.00 C ATOM 1549 CG1 VAL A 95 0.886 -3.058 11.949 1.00 0.00 C ATOM 1550 CG2 VAL A 95 2.946 -3.407 10.563 1.00 0.00 C ATOM 0 H VAL A 95 0.889 -0.671 12.808 1.00 0.00 H new ATOM 0 HA VAL A 95 3.745 -1.179 12.234 1.00 0.00 H new ATOM 0 HB VAL A 95 2.870 -3.316 12.689 1.00 0.00 H new ATOM 0 HG11 VAL A 95 0.685 -4.127 11.878 1.00 0.00 H new ATOM 0 HG12 VAL A 95 0.518 -2.682 12.904 1.00 0.00 H new ATOM 0 HG13 VAL A 95 0.379 -2.539 11.135 1.00 0.00 H new ATOM 0 HG21 VAL A 95 2.711 -4.471 10.519 1.00 0.00 H new ATOM 0 HG22 VAL A 95 2.500 -2.902 9.706 1.00 0.00 H new ATOM 0 HG23 VAL A 95 4.027 -3.273 10.541 1.00 0.00 H new ATOM 1560 N TYR A 96 3.547 -0.428 9.841 1.00 0.00 N ATOM 1561 CA TYR A 96 3.442 0.176 8.514 1.00 0.00 C ATOM 1562 C TYR A 96 4.017 -0.729 7.432 1.00 0.00 C ATOM 1563 O TYR A 96 5.025 -1.405 7.637 1.00 0.00 O ATOM 1564 CB TYR A 96 4.109 1.560 8.447 1.00 0.00 C ATOM 1565 CG TYR A 96 5.105 1.863 9.549 1.00 0.00 C ATOM 1566 CD1 TYR A 96 6.093 0.957 9.913 1.00 0.00 C ATOM 1567 CD2 TYR A 96 5.056 3.078 10.220 1.00 0.00 C ATOM 1568 CE1 TYR A 96 6.998 1.254 10.913 1.00 0.00 C ATOM 1569 CE2 TYR A 96 5.958 3.383 11.219 1.00 0.00 C ATOM 1570 CZ TYR A 96 6.928 2.468 11.561 1.00 0.00 C ATOM 1571 OH TYR A 96 7.829 2.766 12.555 1.00 0.00 O ATOM 0 H TYR A 96 4.499 -0.654 10.130 1.00 0.00 H new ATOM 0 HA TYR A 96 2.376 0.306 8.328 1.00 0.00 H new ATOM 0 HB2 TYR A 96 4.618 1.652 7.487 1.00 0.00 H new ATOM 0 HB3 TYR A 96 3.329 2.321 8.468 1.00 0.00 H new ATOM 0 HD1 TYR A 96 6.154 0.005 9.406 1.00 0.00 H new ATOM 0 HD2 TYR A 96 4.297 3.799 9.955 1.00 0.00 H new ATOM 0 HE1 TYR A 96 7.758 0.537 11.186 1.00 0.00 H new ATOM 0 HE2 TYR A 96 5.903 4.333 11.729 1.00 0.00 H new ATOM 0 HH TYR A 96 7.642 3.661 12.908 1.00 0.00 H new ATOM 1581 N LEU A 97 3.361 -0.726 6.275 1.00 0.00 N ATOM 1582 CA LEU A 97 3.792 -1.535 5.145 1.00 0.00 C ATOM 1583 C LEU A 97 3.638 -0.767 3.836 1.00 0.00 C ATOM 1584 O LEU A 97 2.894 0.213 3.763 1.00 0.00 O ATOM 1585 CB LEU A 97 2.996 -2.846 5.079 1.00 0.00 C ATOM 1586 CG LEU A 97 1.486 -2.722 5.335 1.00 0.00 C ATOM 1587 CD1 LEU A 97 1.200 -2.333 6.779 1.00 0.00 C ATOM 1588 CD2 LEU A 97 0.862 -1.715 4.384 1.00 0.00 C ATOM 0 H LEU A 97 2.525 -0.169 6.098 1.00 0.00 H new ATOM 0 HA LEU A 97 4.846 -1.772 5.288 1.00 0.00 H new ATOM 0 HB2 LEU A 97 3.144 -3.290 4.095 1.00 0.00 H new ATOM 0 HB3 LEU A 97 3.414 -3.540 5.808 1.00 0.00 H new ATOM 0 HG LEU A 97 1.038 -3.699 5.153 1.00 0.00 H new ATOM 0 HD11 LEU A 97 0.123 -2.253 6.928 1.00 0.00 H new ATOM 0 HD12 LEU A 97 1.604 -3.094 7.447 1.00 0.00 H new ATOM 0 HD13 LEU A 97 1.668 -1.373 6.997 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -0.207 -1.642 4.582 1.00 0.00 H new ATOM 0 HD22 LEU A 97 1.326 -0.740 4.531 1.00 0.00 H new ATOM 0 HD23 LEU A 97 1.019 -2.040 3.356 1.00 0.00 H new ATOM 1600 N LYS A 98 4.346 -1.226 2.808 1.00 0.00 N ATOM 1601 CA LYS A 98 4.302 -0.604 1.490 1.00 0.00 C ATOM 1602 C LYS A 98 3.932 -1.638 0.434 1.00 0.00 C ATOM 1603 O LYS A 98 4.587 -2.673 0.316 1.00 0.00 O ATOM 1604 CB LYS A 98 5.657 0.018 1.148 1.00 0.00 C ATOM 1605 CG LYS A 98 6.336 0.696 2.328 1.00 0.00 C ATOM 1606 CD LYS A 98 7.578 1.456 1.893 1.00 0.00 C ATOM 1607 CE LYS A 98 8.839 0.640 2.125 1.00 0.00 C ATOM 1608 NZ LYS A 98 9.971 1.487 2.595 1.00 0.00 N ATOM 0 H LYS A 98 4.963 -2.036 2.865 1.00 0.00 H new ATOM 0 HA LYS A 98 3.546 0.181 1.504 1.00 0.00 H new ATOM 0 HB2 LYS A 98 6.315 -0.759 0.759 1.00 0.00 H new ATOM 0 HB3 LYS A 98 5.520 0.748 0.351 1.00 0.00 H new ATOM 0 HG2 LYS A 98 5.637 1.382 2.807 1.00 0.00 H new ATOM 0 HG3 LYS A 98 6.608 -0.053 3.072 1.00 0.00 H new ATOM 0 HD2 LYS A 98 7.498 1.712 0.836 1.00 0.00 H new ATOM 0 HD3 LYS A 98 7.644 2.394 2.444 1.00 0.00 H new ATOM 0 HE2 LYS A 98 8.638 -0.138 2.862 1.00 0.00 H new ATOM 0 HE3 LYS A 98 9.121 0.137 1.200 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 10.812 0.893 2.741 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 10.181 2.214 1.881 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 9.712 1.947 3.491 1.00 0.00 H new ATOM 1622 N ALA A 99 2.883 -1.358 -0.330 1.00 0.00 N ATOM 1623 CA ALA A 99 2.435 -2.277 -1.368 1.00 0.00 C ATOM 1624 C ALA A 99 2.549 -1.650 -2.756 1.00 0.00 C ATOM 1625 O ALA A 99 2.112 -0.521 -2.971 1.00 0.00 O ATOM 1626 CB ALA A 99 1.002 -2.709 -1.099 1.00 0.00 C ATOM 0 H ALA A 99 2.329 -0.505 -0.251 1.00 0.00 H new ATOM 0 HA ALA A 99 3.083 -3.153 -1.345 1.00 0.00 H new ATOM 0 HB1 ALA A 99 0.676 -3.396 -1.880 1.00 0.00 H new ATOM 0 HB2 ALA A 99 0.948 -3.208 -0.131 1.00 0.00 H new ATOM 0 HB3 ALA A 99 0.353 -1.833 -1.092 1.00 0.00 H new ATOM 1632 N PRO A 100 3.138 -2.378 -3.725 1.00 0.00 N ATOM 1633 CA PRO A 100 3.305 -1.894 -5.088 1.00 0.00 C ATOM 1634 C PRO A 100 2.130 -2.281 -5.982 1.00 0.00 C ATOM 1635 O PRO A 100 1.837 -3.463 -6.160 1.00 0.00 O ATOM 1636 CB PRO A 100 4.580 -2.610 -5.528 1.00 0.00 C ATOM 1637 CG PRO A 100 4.564 -3.917 -4.796 1.00 0.00 C ATOM 1638 CD PRO A 100 3.695 -3.734 -3.570 1.00 0.00 C ATOM 0 HA PRO A 100 3.356 -0.807 -5.152 1.00 0.00 H new ATOM 0 HB2 PRO A 100 4.595 -2.762 -6.607 1.00 0.00 H new ATOM 0 HB3 PRO A 100 5.466 -2.028 -5.276 1.00 0.00 H new ATOM 0 HG2 PRO A 100 4.169 -4.709 -5.432 1.00 0.00 H new ATOM 0 HG3 PRO A 100 5.574 -4.211 -4.511 1.00 0.00 H new ATOM 0 HD2 PRO A 100 2.907 -4.486 -3.524 1.00 0.00 H new ATOM 0 HD3 PRO A 100 4.276 -3.824 -2.652 1.00 0.00 H new ATOM 1646 N MET A 101 1.455 -1.278 -6.540 1.00 0.00 N ATOM 1647 CA MET A 101 0.308 -1.518 -7.408 1.00 0.00 C ATOM 1648 C MET A 101 0.347 -0.605 -8.628 1.00 0.00 C ATOM 1649 O MET A 101 1.185 0.291 -8.718 1.00 0.00 O ATOM 1650 CB MET A 101 -1.000 -1.313 -6.640 1.00 0.00 C ATOM 1651 CG MET A 101 -1.037 -0.026 -5.830 1.00 0.00 C ATOM 1652 SD MET A 101 -1.784 -0.249 -4.204 1.00 0.00 S ATOM 1653 CE MET A 101 -3.472 0.254 -4.532 1.00 0.00 C ATOM 0 H MET A 101 1.684 -0.293 -6.406 1.00 0.00 H new ATOM 0 HA MET A 101 0.357 -2.552 -7.750 1.00 0.00 H new ATOM 0 HB2 MET A 101 -1.830 -1.311 -7.347 1.00 0.00 H new ATOM 0 HB3 MET A 101 -1.154 -2.159 -5.970 1.00 0.00 H new ATOM 0 HG2 MET A 101 -0.022 0.352 -5.710 1.00 0.00 H new ATOM 0 HG3 MET A 101 -1.596 0.730 -6.382 1.00 0.00 H new ATOM 0 HE1 MET A 101 -4.061 0.171 -3.618 1.00 0.00 H new ATOM 0 HE2 MET A 101 -3.483 1.288 -4.878 1.00 0.00 H new ATOM 0 HE3 MET A 101 -3.901 -0.390 -5.300 1.00 0.00 H new ATOM 1663 N ILE A 102 -0.561 -0.844 -9.570 1.00 0.00 N ATOM 1664 CA ILE A 102 -0.622 -0.048 -10.789 1.00 0.00 C ATOM 1665 C ILE A 102 -1.818 0.902 -10.784 1.00 0.00 C ATOM 1666 O ILE A 102 -2.962 0.482 -10.952 1.00 0.00 O ATOM 1667 CB ILE A 102 -0.696 -0.947 -12.040 1.00 0.00 C ATOM 1668 CG1 ILE A 102 0.501 -1.898 -12.079 1.00 0.00 C ATOM 1669 CG2 ILE A 102 -0.748 -0.104 -13.306 1.00 0.00 C ATOM 1670 CD1 ILE A 102 1.828 -1.189 -12.248 1.00 0.00 C ATOM 0 H ILE A 102 -1.263 -1.582 -9.512 1.00 0.00 H new ATOM 0 HA ILE A 102 0.295 0.541 -10.822 1.00 0.00 H new ATOM 0 HB ILE A 102 -1.610 -1.538 -11.987 1.00 0.00 H new ATOM 0 HG12 ILE A 102 0.523 -2.480 -11.158 1.00 0.00 H new ATOM 0 HG13 ILE A 102 0.368 -2.604 -12.899 1.00 0.00 H new ATOM 0 HG21 ILE A 102 -0.800 -0.758 -14.177 1.00 0.00 H new ATOM 0 HG22 ILE A 102 -1.629 0.537 -13.280 1.00 0.00 H new ATOM 0 HG23 ILE A 102 0.148 0.514 -13.369 1.00 0.00 H new ATOM 0 HD11 ILE A 102 2.633 -1.924 -12.267 1.00 0.00 H new ATOM 0 HD12 ILE A 102 1.825 -0.629 -13.183 1.00 0.00 H new ATOM 0 HD13 ILE A 102 1.983 -0.503 -11.415 1.00 0.00 H new ATOM 1682 N LEU A 103 -1.534 2.189 -10.610 1.00 0.00 N ATOM 1683 CA LEU A 103 -2.572 3.215 -10.607 1.00 0.00 C ATOM 1684 C LEU A 103 -2.471 4.055 -11.872 1.00 0.00 C ATOM 1685 O LEU A 103 -1.389 4.216 -12.415 1.00 0.00 O ATOM 1686 CB LEU A 103 -2.454 4.110 -9.370 1.00 0.00 C ATOM 1687 CG LEU A 103 -3.249 3.639 -8.149 1.00 0.00 C ATOM 1688 CD1 LEU A 103 -2.988 4.551 -6.956 1.00 0.00 C ATOM 1689 CD2 LEU A 103 -4.737 3.590 -8.469 1.00 0.00 C ATOM 0 H LEU A 103 -0.590 2.548 -10.469 1.00 0.00 H new ATOM 0 HA LEU A 103 -3.544 2.722 -10.578 1.00 0.00 H new ATOM 0 HB2 LEU A 103 -1.402 4.184 -9.093 1.00 0.00 H new ATOM 0 HB3 LEU A 103 -2.785 5.114 -9.634 1.00 0.00 H new ATOM 0 HG LEU A 103 -2.919 2.633 -7.890 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -3.561 4.201 -6.098 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -1.926 4.537 -6.713 1.00 0.00 H new ATOM 0 HD13 LEU A 103 -3.290 5.569 -7.203 1.00 0.00 H new ATOM 0 HD21 LEU A 103 -5.287 3.253 -7.590 1.00 0.00 H new ATOM 0 HD22 LEU A 103 -5.081 4.584 -8.753 1.00 0.00 H new ATOM 0 HD23 LEU A 103 -4.909 2.897 -9.293 1.00 0.00 H new ATOM 1701 N ASN A 104 -3.607 4.574 -12.336 1.00 0.00 N ATOM 1702 CA ASN A 104 -3.678 5.396 -13.556 1.00 0.00 C ATOM 1703 C ASN A 104 -2.324 5.569 -14.262 1.00 0.00 C ATOM 1704 O ASN A 104 -1.647 6.583 -14.095 1.00 0.00 O ATOM 1705 CB ASN A 104 -4.251 6.772 -13.216 1.00 0.00 C ATOM 1706 CG ASN A 104 -4.986 7.397 -14.385 1.00 0.00 C ATOM 1707 OD1 ASN A 104 -4.372 7.813 -15.368 1.00 0.00 O ATOM 1708 ND2 ASN A 104 -6.308 7.468 -14.283 1.00 0.00 N ATOM 0 H ASN A 104 -4.509 4.439 -11.880 1.00 0.00 H new ATOM 0 HA ASN A 104 -4.328 4.863 -14.250 1.00 0.00 H new ATOM 0 HB2 ASN A 104 -4.932 6.680 -12.370 1.00 0.00 H new ATOM 0 HB3 ASN A 104 -3.442 7.432 -12.904 1.00 0.00 H new ATOM 0 HD21 ASN A 104 -6.856 7.880 -15.038 1.00 0.00 H new ATOM 0 HD22 ASN A 104 -6.775 7.110 -13.450 1.00 0.00 H new ATOM 1715 N GLY A 105 -1.959 4.571 -15.071 1.00 0.00 N ATOM 1716 CA GLY A 105 -0.713 4.609 -15.830 1.00 0.00 C ATOM 1717 C GLY A 105 0.498 5.061 -15.028 1.00 0.00 C ATOM 1718 O GLY A 105 1.218 5.964 -15.450 1.00 0.00 O ATOM 0 H GLY A 105 -2.512 3.726 -15.215 1.00 0.00 H new ATOM 0 HA2 GLY A 105 -0.517 3.615 -16.233 1.00 0.00 H new ATOM 0 HA3 GLY A 105 -0.840 5.278 -16.681 1.00 0.00 H new ATOM 1722 N VAL A 106 0.727 4.424 -13.883 1.00 0.00 N ATOM 1723 CA VAL A 106 1.858 4.754 -13.020 1.00 0.00 C ATOM 1724 C VAL A 106 2.086 3.644 -11.998 1.00 0.00 C ATOM 1725 O VAL A 106 1.132 3.032 -11.517 1.00 0.00 O ATOM 1726 CB VAL A 106 1.626 6.079 -12.255 1.00 0.00 C ATOM 1727 CG1 VAL A 106 2.754 6.342 -11.266 1.00 0.00 C ATOM 1728 CG2 VAL A 106 1.480 7.249 -13.215 1.00 0.00 C ATOM 0 H VAL A 106 0.139 3.670 -13.529 1.00 0.00 H new ATOM 0 HA VAL A 106 2.730 4.863 -13.665 1.00 0.00 H new ATOM 0 HB VAL A 106 0.695 5.978 -11.697 1.00 0.00 H new ATOM 0 HG11 VAL A 106 2.567 7.279 -10.741 1.00 0.00 H new ATOM 0 HG12 VAL A 106 2.803 5.526 -10.545 1.00 0.00 H new ATOM 0 HG13 VAL A 106 3.700 6.409 -11.803 1.00 0.00 H new ATOM 0 HG21 VAL A 106 1.318 8.166 -12.649 1.00 0.00 H new ATOM 0 HG22 VAL A 106 2.387 7.346 -13.811 1.00 0.00 H new ATOM 0 HG23 VAL A 106 0.630 7.075 -13.874 1.00 0.00 H new ATOM 1738 N CYS A 107 3.344 3.403 -11.642 1.00 0.00 N ATOM 1739 CA CYS A 107 3.658 2.385 -10.646 1.00 0.00 C ATOM 1740 C CYS A 107 3.563 3.013 -9.261 1.00 0.00 C ATOM 1741 O CYS A 107 4.453 3.747 -8.842 1.00 0.00 O ATOM 1742 CB CYS A 107 5.054 1.797 -10.892 1.00 0.00 C ATOM 1743 SG CYS A 107 5.681 0.763 -9.545 1.00 0.00 S ATOM 0 H CYS A 107 4.154 3.892 -12.023 1.00 0.00 H new ATOM 0 HA CYS A 107 2.945 1.564 -10.720 1.00 0.00 H new ATOM 0 HB2 CYS A 107 5.029 1.204 -11.806 1.00 0.00 H new ATOM 0 HB3 CYS A 107 5.754 2.615 -11.061 1.00 0.00 H new ATOM 0 HG CYS A 107 6.862 0.316 -9.854 1.00 0.00 H new ATOM 1749 N VAL A 108 2.458 2.761 -8.571 1.00 0.00 N ATOM 1750 CA VAL A 108 2.238 3.357 -7.261 1.00 0.00 C ATOM 1751 C VAL A 108 2.565 2.414 -6.112 1.00 0.00 C ATOM 1752 O VAL A 108 2.479 1.193 -6.238 1.00 0.00 O ATOM 1753 CB VAL A 108 0.783 3.831 -7.117 1.00 0.00 C ATOM 1754 CG1 VAL A 108 0.542 5.063 -7.976 1.00 0.00 C ATOM 1755 CG2 VAL A 108 -0.177 2.713 -7.490 1.00 0.00 C ATOM 0 H VAL A 108 1.706 2.153 -8.894 1.00 0.00 H new ATOM 0 HA VAL A 108 2.921 4.204 -7.201 1.00 0.00 H new ATOM 0 HB VAL A 108 0.603 4.100 -6.076 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -0.492 5.388 -7.864 1.00 0.00 H new ATOM 0 HG12 VAL A 108 1.210 5.864 -7.659 1.00 0.00 H new ATOM 0 HG13 VAL A 108 0.736 4.821 -9.021 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -1.203 3.064 -7.383 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -0.002 2.413 -8.523 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -0.015 1.859 -6.832 1.00 0.00 H new ATOM 1765 N ILE A 109 2.930 3.014 -4.984 1.00 0.00 N ATOM 1766 CA ILE A 109 3.266 2.274 -3.775 1.00 0.00 C ATOM 1767 C ILE A 109 2.565 2.893 -2.569 1.00 0.00 C ATOM 1768 O ILE A 109 2.885 4.012 -2.168 1.00 0.00 O ATOM 1769 CB ILE A 109 4.787 2.263 -3.502 1.00 0.00 C ATOM 1770 CG1 ILE A 109 5.594 2.191 -4.812 1.00 0.00 C ATOM 1771 CG2 ILE A 109 5.137 1.098 -2.585 1.00 0.00 C ATOM 1772 CD1 ILE A 109 7.040 1.777 -4.616 1.00 0.00 C ATOM 0 H ILE A 109 3.001 4.027 -4.883 1.00 0.00 H new ATOM 0 HA ILE A 109 2.933 1.248 -3.930 1.00 0.00 H new ATOM 0 HB ILE A 109 5.055 3.197 -3.008 1.00 0.00 H new ATOM 0 HG12 ILE A 109 5.111 1.484 -5.487 1.00 0.00 H new ATOM 0 HG13 ILE A 109 5.567 3.166 -5.299 1.00 0.00 H new ATOM 0 HG21 ILE A 109 6.210 1.094 -2.395 1.00 0.00 H new ATOM 0 HG22 ILE A 109 4.602 1.204 -1.641 1.00 0.00 H new ATOM 0 HG23 ILE A 109 4.849 0.161 -3.061 1.00 0.00 H new ATOM 0 HD11 ILE A 109 7.544 1.748 -5.582 1.00 0.00 H new ATOM 0 HD12 ILE A 109 7.540 2.496 -3.967 1.00 0.00 H new ATOM 0 HD13 ILE A 109 7.077 0.788 -4.158 1.00 0.00 H new ATOM 1784 N TRP A 110 1.608 2.172 -1.990 1.00 0.00 N ATOM 1785 CA TRP A 110 0.878 2.680 -0.831 1.00 0.00 C ATOM 1786 C TRP A 110 1.574 2.289 0.466 1.00 0.00 C ATOM 1787 O TRP A 110 1.660 1.110 0.806 1.00 0.00 O ATOM 1788 CB TRP A 110 -0.563 2.157 -0.819 1.00 0.00 C ATOM 1789 CG TRP A 110 -1.376 2.687 0.330 1.00 0.00 C ATOM 1790 CD1 TRP A 110 -2.190 3.784 0.322 1.00 0.00 C ATOM 1791 CD2 TRP A 110 -1.452 2.144 1.656 1.00 0.00 C ATOM 1792 NE1 TRP A 110 -2.760 3.959 1.559 1.00 0.00 N ATOM 1793 CE2 TRP A 110 -2.326 2.967 2.393 1.00 0.00 C ATOM 1794 CE3 TRP A 110 -0.870 1.044 2.294 1.00 0.00 C ATOM 1795 CZ2 TRP A 110 -2.628 2.727 3.730 1.00 0.00 C ATOM 1796 CZ3 TRP A 110 -1.174 0.810 3.622 1.00 0.00 C ATOM 1797 CH2 TRP A 110 -2.043 1.645 4.327 1.00 0.00 C ATOM 0 H TRP A 110 1.322 1.243 -2.300 1.00 0.00 H new ATOM 0 HA TRP A 110 0.859 3.767 -0.907 1.00 0.00 H new ATOM 0 HB2 TRP A 110 -1.049 2.429 -1.756 1.00 0.00 H new ATOM 0 HB3 TRP A 110 -0.547 1.068 -0.773 1.00 0.00 H new ATOM 0 HD1 TRP A 110 -2.361 4.421 -0.533 1.00 0.00 H new ATOM 0 HE1 TRP A 110 -3.403 4.708 1.814 1.00 0.00 H new ATOM 0 HE3 TRP A 110 -0.196 0.390 1.760 1.00 0.00 H new ATOM 0 HZ2 TRP A 110 -3.300 3.372 4.276 1.00 0.00 H new ATOM 0 HZ3 TRP A 110 -0.730 -0.036 4.125 1.00 0.00 H new ATOM 0 HH2 TRP A 110 -2.257 1.432 5.364 1.00 0.00 H new ATOM 1808 N LYS A 111 2.062 3.289 1.190 1.00 0.00 N ATOM 1809 CA LYS A 111 2.740 3.054 2.455 1.00 0.00 C ATOM 1810 C LYS A 111 1.993 3.742 3.590 1.00 0.00 C ATOM 1811 O LYS A 111 1.579 4.894 3.465 1.00 0.00 O ATOM 1812 CB LYS A 111 4.187 3.552 2.387 1.00 0.00 C ATOM 1813 CG LYS A 111 4.867 3.672 3.743 1.00 0.00 C ATOM 1814 CD LYS A 111 4.546 5.002 4.407 1.00 0.00 C ATOM 1815 CE LYS A 111 5.755 5.926 4.423 1.00 0.00 C ATOM 1816 NZ LYS A 111 6.958 5.256 4.991 1.00 0.00 N ATOM 0 H LYS A 111 2.000 4.271 0.921 1.00 0.00 H new ATOM 0 HA LYS A 111 2.754 1.981 2.648 1.00 0.00 H new ATOM 0 HB2 LYS A 111 4.765 2.872 1.762 1.00 0.00 H new ATOM 0 HB3 LYS A 111 4.202 4.526 1.897 1.00 0.00 H new ATOM 0 HG2 LYS A 111 4.544 2.854 4.387 1.00 0.00 H new ATOM 0 HG3 LYS A 111 5.946 3.575 3.621 1.00 0.00 H new ATOM 0 HD2 LYS A 111 3.725 5.485 3.877 1.00 0.00 H new ATOM 0 HD3 LYS A 111 4.207 4.827 5.428 1.00 0.00 H new ATOM 0 HE2 LYS A 111 5.970 6.260 3.408 1.00 0.00 H new ATOM 0 HE3 LYS A 111 5.524 6.816 5.009 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 7.531 5.952 5.509 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 6.660 4.500 5.641 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 7.524 4.847 4.220 1.00 0.00 H new ATOM 1830 N GLY A 112 1.823 3.029 4.694 1.00 0.00 N ATOM 1831 CA GLY A 112 1.122 3.592 5.835 1.00 0.00 C ATOM 1832 C GLY A 112 1.051 2.633 7.002 1.00 0.00 C ATOM 1833 O GLY A 112 1.245 1.430 6.834 1.00 0.00 O ATOM 0 H GLY A 112 2.156 2.073 4.822 1.00 0.00 H new ATOM 0 HA2 GLY A 112 1.624 4.507 6.151 1.00 0.00 H new ATOM 0 HA3 GLY A 112 0.112 3.870 5.535 1.00 0.00 H new ATOM 1837 N TRP A 113 0.774 3.160 8.192 1.00 0.00 N ATOM 1838 CA TRP A 113 0.688 2.325 9.383 1.00 0.00 C ATOM 1839 C TRP A 113 -0.721 2.299 9.957 1.00 0.00 C ATOM 1840 O TRP A 113 -1.470 3.274 9.861 1.00 0.00 O ATOM 1841 CB TRP A 113 1.670 2.797 10.457 1.00 0.00 C ATOM 1842 CG TRP A 113 1.458 4.214 10.893 1.00 0.00 C ATOM 1843 CD1 TRP A 113 2.163 5.311 10.487 1.00 0.00 C ATOM 1844 CD2 TRP A 113 0.486 4.684 11.830 1.00 0.00 C ATOM 1845 NE1 TRP A 113 1.681 6.437 11.110 1.00 0.00 N ATOM 1846 CE2 TRP A 113 0.651 6.078 11.940 1.00 0.00 C ATOM 1847 CE3 TRP A 113 -0.512 4.063 12.585 1.00 0.00 C ATOM 1848 CZ2 TRP A 113 -0.145 6.859 12.776 1.00 0.00 C ATOM 1849 CZ3 TRP A 113 -1.301 4.838 13.413 1.00 0.00 C ATOM 1850 CH2 TRP A 113 -1.114 6.222 13.503 1.00 0.00 C ATOM 0 H TRP A 113 0.607 4.153 8.355 1.00 0.00 H new ATOM 0 HA TRP A 113 0.952 1.313 9.076 1.00 0.00 H new ATOM 0 HB2 TRP A 113 1.585 2.144 11.325 1.00 0.00 H new ATOM 0 HB3 TRP A 113 2.686 2.692 10.077 1.00 0.00 H new ATOM 0 HD1 TRP A 113 2.979 5.296 9.780 1.00 0.00 H new ATOM 0 HE1 TRP A 113 2.032 7.385 10.977 1.00 0.00 H new ATOM 0 HE3 TRP A 113 -0.664 2.996 12.522 1.00 0.00 H new ATOM 0 HZ2 TRP A 113 -0.002 7.927 12.847 1.00 0.00 H new ATOM 0 HZ3 TRP A 113 -2.075 4.368 14.001 1.00 0.00 H new ATOM 0 HH2 TRP A 113 -1.748 6.799 14.160 1.00 0.00 H new ATOM 1861 N ILE A 114 -1.056 1.173 10.579 1.00 0.00 N ATOM 1862 CA ILE A 114 -2.355 0.986 11.209 1.00 0.00 C ATOM 1863 C ILE A 114 -2.157 0.674 12.685 1.00 0.00 C ATOM 1864 O ILE A 114 -1.257 -0.090 13.042 1.00 0.00 O ATOM 1865 CB ILE A 114 -3.175 -0.164 10.567 1.00 0.00 C ATOM 1866 CG1 ILE A 114 -2.587 -0.590 9.217 1.00 0.00 C ATOM 1867 CG2 ILE A 114 -4.626 0.253 10.401 1.00 0.00 C ATOM 1868 CD1 ILE A 114 -2.504 0.537 8.210 1.00 0.00 C ATOM 0 H ILE A 114 -0.435 0.368 10.660 1.00 0.00 H new ATOM 0 HA ILE A 114 -2.914 1.911 11.069 1.00 0.00 H new ATOM 0 HB ILE A 114 -3.125 -1.022 11.237 1.00 0.00 H new ATOM 0 HG12 ILE A 114 -1.589 -0.997 9.377 1.00 0.00 H new ATOM 0 HG13 ILE A 114 -3.196 -1.393 8.802 1.00 0.00 H new ATOM 0 HG21 ILE A 114 -5.190 -0.563 9.949 1.00 0.00 H new ATOM 0 HG22 ILE A 114 -5.050 0.491 11.377 1.00 0.00 H new ATOM 0 HG23 ILE A 114 -4.681 1.131 9.758 1.00 0.00 H new ATOM 0 HD11 ILE A 114 -2.079 0.162 7.279 1.00 0.00 H new ATOM 0 HD12 ILE A 114 -3.503 0.930 8.020 1.00 0.00 H new ATOM 0 HD13 ILE A 114 -1.871 1.332 8.605 1.00 0.00 H new ATOM 1880 N ASP A 115 -2.986 1.260 13.541 1.00 0.00 N ATOM 1881 CA ASP A 115 -2.864 1.025 14.972 1.00 0.00 C ATOM 1882 C ASP A 115 -3.635 -0.234 15.364 1.00 0.00 C ATOM 1883 O ASP A 115 -4.730 -0.493 14.865 1.00 0.00 O ATOM 1884 CB ASP A 115 -3.333 2.252 15.765 1.00 0.00 C ATOM 1885 CG ASP A 115 -4.805 2.220 16.108 1.00 0.00 C ATOM 1886 OD1 ASP A 115 -5.633 2.500 15.216 1.00 0.00 O ATOM 1887 OD2 ASP A 115 -5.129 1.917 17.273 1.00 0.00 O ATOM 0 H ASP A 115 -3.740 1.893 13.273 1.00 0.00 H new ATOM 0 HA ASP A 115 -1.814 0.864 15.218 1.00 0.00 H new ATOM 0 HB2 ASP A 115 -2.755 2.323 16.686 1.00 0.00 H new ATOM 0 HB3 ASP A 115 -3.122 3.151 15.186 1.00 0.00 H new ATOM 1892 N LEU A 116 -3.018 -1.034 16.224 1.00 0.00 N ATOM 1893 CA LEU A 116 -3.588 -2.307 16.658 1.00 0.00 C ATOM 1894 C LEU A 116 -4.695 -2.162 17.707 1.00 0.00 C ATOM 1895 O LEU A 116 -5.099 -3.154 18.313 1.00 0.00 O ATOM 1896 CB LEU A 116 -2.470 -3.195 17.200 1.00 0.00 C ATOM 1897 CG LEU A 116 -1.152 -3.122 16.413 1.00 0.00 C ATOM 1898 CD1 LEU A 116 0.003 -2.713 17.320 1.00 0.00 C ATOM 1899 CD2 LEU A 116 -0.856 -4.449 15.725 1.00 0.00 C ATOM 0 H LEU A 116 -2.111 -0.822 16.640 1.00 0.00 H new ATOM 0 HA LEU A 116 -4.058 -2.759 15.785 1.00 0.00 H new ATOM 0 HB2 LEU A 116 -2.274 -2.918 18.236 1.00 0.00 H new ATOM 0 HB3 LEU A 116 -2.816 -4.228 17.207 1.00 0.00 H new ATOM 0 HG LEU A 116 -1.263 -2.358 15.643 1.00 0.00 H new ATOM 0 HD11 LEU A 116 0.924 -2.669 16.739 1.00 0.00 H new ATOM 0 HD12 LEU A 116 -0.202 -1.733 17.750 1.00 0.00 H new ATOM 0 HD13 LEU A 116 0.114 -3.445 18.120 1.00 0.00 H new ATOM 0 HD21 LEU A 116 0.082 -4.372 15.175 1.00 0.00 H new ATOM 0 HD22 LEU A 116 -0.774 -5.237 16.474 1.00 0.00 H new ATOM 0 HD23 LEU A 116 -1.664 -4.689 15.034 1.00 0.00 H new ATOM 1911 N HIS A 117 -5.197 -0.950 17.918 1.00 0.00 N ATOM 1912 CA HIS A 117 -6.263 -0.741 18.893 1.00 0.00 C ATOM 1913 C HIS A 117 -7.528 -0.250 18.200 1.00 0.00 C ATOM 1914 O HIS A 117 -8.578 -0.890 18.258 1.00 0.00 O ATOM 1915 CB HIS A 117 -5.826 0.269 19.957 1.00 0.00 C ATOM 1916 CG HIS A 117 -4.404 0.103 20.397 1.00 0.00 C ATOM 1917 ND1 HIS A 117 -4.049 -0.263 21.677 1.00 0.00 N ATOM 1918 CD2 HIS A 117 -3.245 0.252 19.714 1.00 0.00 C ATOM 1919 CE1 HIS A 117 -2.733 -0.329 21.765 1.00 0.00 C ATOM 1920 NE2 HIS A 117 -2.221 -0.022 20.588 1.00 0.00 N ATOM 0 H HIS A 117 -4.888 -0.107 17.434 1.00 0.00 H new ATOM 0 HA HIS A 117 -6.474 -1.694 19.379 1.00 0.00 H new ATOM 0 HB2 HIS A 117 -5.960 1.277 19.565 1.00 0.00 H new ATOM 0 HB3 HIS A 117 -6.479 0.175 20.825 1.00 0.00 H new ATOM 0 HD2 HIS A 117 -3.144 0.534 18.676 1.00 0.00 H new ATOM 0 HE1 HIS A 117 -2.171 -0.590 22.650 1.00 0.00 H new ATOM 0 HE2 HIS A 117 -1.226 0.007 20.364 1.00 0.00 H new ATOM 1929 N ARG A 118 -7.406 0.892 17.544 1.00 0.00 N ATOM 1930 CA ARG A 118 -8.514 1.504 16.821 1.00 0.00 C ATOM 1931 C ARG A 118 -8.577 0.999 15.383 1.00 0.00 C ATOM 1932 O ARG A 118 -9.602 1.132 14.715 1.00 0.00 O ATOM 1933 CB ARG A 118 -8.378 3.030 16.824 1.00 0.00 C ATOM 1934 CG ARG A 118 -7.622 3.584 18.022 1.00 0.00 C ATOM 1935 CD ARG A 118 -8.499 3.621 19.264 1.00 0.00 C ATOM 1936 NE ARG A 118 -7.751 3.280 20.473 1.00 0.00 N ATOM 1937 CZ ARG A 118 -8.169 3.560 21.706 1.00 0.00 C ATOM 1938 NH1 ARG A 118 -9.322 4.188 21.897 1.00 0.00 N ATOM 1939 NH2 ARG A 118 -7.430 3.212 22.750 1.00 0.00 N ATOM 0 H ARG A 118 -6.536 1.423 17.496 1.00 0.00 H new ATOM 0 HA ARG A 118 -9.437 1.224 17.329 1.00 0.00 H new ATOM 0 HB2 ARG A 118 -7.869 3.340 15.912 1.00 0.00 H new ATOM 0 HB3 ARG A 118 -9.374 3.473 16.800 1.00 0.00 H new ATOM 0 HG2 ARG A 118 -6.742 2.970 18.214 1.00 0.00 H new ATOM 0 HG3 ARG A 118 -7.266 4.589 17.796 1.00 0.00 H new ATOM 0 HD2 ARG A 118 -8.931 4.616 19.373 1.00 0.00 H new ATOM 0 HD3 ARG A 118 -9.329 2.925 19.143 1.00 0.00 H new ATOM 0 HE ARG A 118 -6.857 2.800 20.366 1.00 0.00 H new ATOM 0 HH11 ARG A 118 -9.894 4.459 21.097 1.00 0.00 H new ATOM 0 HH12 ARG A 118 -9.637 4.400 22.844 1.00 0.00 H new ATOM 0 HH21 ARG A 118 -6.542 2.730 22.608 1.00 0.00 H new ATOM 0 HH22 ARG A 118 -7.749 3.426 23.695 1.00 0.00 H new ATOM 1953 N LEU A 119 -7.469 0.429 14.908 1.00 0.00 N ATOM 1954 CA LEU A 119 -7.393 -0.085 13.542 1.00 0.00 C ATOM 1955 C LEU A 119 -7.403 1.059 12.538 1.00 0.00 C ATOM 1956 O LEU A 119 -8.027 0.989 11.477 1.00 0.00 O ATOM 1957 CB LEU A 119 -8.540 -1.043 13.269 1.00 0.00 C ATOM 1958 CG LEU A 119 -8.145 -2.518 13.218 1.00 0.00 C ATOM 1959 CD1 LEU A 119 -9.330 -3.377 12.804 1.00 0.00 C ATOM 1960 CD2 LEU A 119 -6.974 -2.719 12.267 1.00 0.00 C ATOM 0 H LEU A 119 -6.613 0.312 15.450 1.00 0.00 H new ATOM 0 HA LEU A 119 -6.455 -0.630 13.432 1.00 0.00 H new ATOM 0 HB2 LEU A 119 -9.297 -0.911 14.042 1.00 0.00 H new ATOM 0 HB3 LEU A 119 -9.003 -0.772 12.320 1.00 0.00 H new ATOM 0 HG LEU A 119 -7.835 -2.828 14.216 1.00 0.00 H new ATOM 0 HD11 LEU A 119 -9.028 -4.424 12.774 1.00 0.00 H new ATOM 0 HD12 LEU A 119 -10.138 -3.253 13.525 1.00 0.00 H new ATOM 0 HD13 LEU A 119 -9.674 -3.070 11.816 1.00 0.00 H new ATOM 0 HD21 LEU A 119 -6.704 -3.775 12.241 1.00 0.00 H new ATOM 0 HD22 LEU A 119 -7.258 -2.392 11.267 1.00 0.00 H new ATOM 0 HD23 LEU A 119 -6.121 -2.134 12.612 1.00 0.00 H new ATOM 1972 N ASP A 120 -6.696 2.106 12.901 1.00 0.00 N ATOM 1973 CA ASP A 120 -6.579 3.298 12.072 1.00 0.00 C ATOM 1974 C ASP A 120 -5.225 3.962 12.298 1.00 0.00 C ATOM 1975 O ASP A 120 -4.641 3.840 13.375 1.00 0.00 O ATOM 1976 CB ASP A 120 -7.705 4.284 12.389 1.00 0.00 C ATOM 1977 CG ASP A 120 -7.715 4.706 13.847 1.00 0.00 C ATOM 1978 OD1 ASP A 120 -6.630 5.016 14.383 1.00 0.00 O ATOM 1979 OD2 ASP A 120 -8.808 4.725 14.451 1.00 0.00 O ATOM 0 H ASP A 120 -6.182 2.161 13.781 1.00 0.00 H new ATOM 0 HA ASP A 120 -6.660 3.002 11.026 1.00 0.00 H new ATOM 0 HB2 ASP A 120 -7.598 5.167 11.759 1.00 0.00 H new ATOM 0 HB3 ASP A 120 -8.663 3.829 12.139 1.00 0.00 H new ATOM 1984 N GLY A 121 -4.723 4.654 11.283 1.00 0.00 N ATOM 1985 CA GLY A 121 -3.436 5.311 11.415 1.00 0.00 C ATOM 1986 C GLY A 121 -3.219 6.403 10.389 1.00 0.00 C ATOM 1987 O GLY A 121 -4.006 7.345 10.297 1.00 0.00 O ATOM 0 H GLY A 121 -5.179 4.772 10.378 1.00 0.00 H new ATOM 0 HA2 GLY A 121 -3.354 5.738 12.414 1.00 0.00 H new ATOM 0 HA3 GLY A 121 -2.644 4.568 11.319 1.00 0.00 H new ATOM 1991 N MET A 122 -2.141 6.280 9.623 1.00 0.00 N ATOM 1992 CA MET A 122 -1.815 7.269 8.603 1.00 0.00 C ATOM 1993 C MET A 122 -1.124 6.615 7.412 1.00 0.00 C ATOM 1994 O MET A 122 -0.168 5.854 7.574 1.00 0.00 O ATOM 1995 CB MET A 122 -0.924 8.366 9.200 1.00 0.00 C ATOM 1996 CG MET A 122 -0.333 9.323 8.169 1.00 0.00 C ATOM 1997 SD MET A 122 -0.985 11.001 8.308 1.00 0.00 S ATOM 1998 CE MET A 122 -0.794 11.304 10.061 1.00 0.00 C ATOM 0 H MET A 122 -1.479 5.507 9.689 1.00 0.00 H new ATOM 0 HA MET A 122 -2.743 7.719 8.251 1.00 0.00 H new ATOM 0 HB2 MET A 122 -1.507 8.940 9.920 1.00 0.00 H new ATOM 0 HB3 MET A 122 -0.110 7.897 9.752 1.00 0.00 H new ATOM 0 HG2 MET A 122 0.750 9.349 8.285 1.00 0.00 H new ATOM 0 HG3 MET A 122 -0.537 8.942 7.169 1.00 0.00 H new ATOM 0 HE1 MET A 122 -0.561 12.356 10.225 1.00 0.00 H new ATOM 0 HE2 MET A 122 -1.721 11.053 10.577 1.00 0.00 H new ATOM 0 HE3 MET A 122 0.016 10.688 10.451 1.00 0.00 H new ATOM 2008 N GLY A 123 -1.612 6.923 6.216 1.00 0.00 N ATOM 2009 CA GLY A 123 -1.032 6.367 5.010 1.00 0.00 C ATOM 2010 C GLY A 123 -0.603 7.441 4.033 1.00 0.00 C ATOM 2011 O GLY A 123 -0.831 8.629 4.267 1.00 0.00 O ATOM 0 H GLY A 123 -2.401 7.550 6.061 1.00 0.00 H new ATOM 0 HA2 GLY A 123 -0.171 5.753 5.273 1.00 0.00 H new ATOM 0 HA3 GLY A 123 -1.757 5.710 4.530 1.00 0.00 H new ATOM 2015 N CYS A 124 0.020 7.026 2.937 1.00 0.00 N ATOM 2016 CA CYS A 124 0.482 7.964 1.923 1.00 0.00 C ATOM 2017 C CYS A 124 0.819 7.238 0.628 1.00 0.00 C ATOM 2018 O CYS A 124 1.274 6.094 0.648 1.00 0.00 O ATOM 2019 CB CYS A 124 1.705 8.733 2.431 1.00 0.00 C ATOM 2020 SG CYS A 124 3.215 7.744 2.550 1.00 0.00 S ATOM 0 H CYS A 124 0.217 6.047 2.728 1.00 0.00 H new ATOM 0 HA CYS A 124 -0.322 8.672 1.720 1.00 0.00 H new ATOM 0 HB2 CYS A 124 1.890 9.577 1.766 1.00 0.00 H new ATOM 0 HB3 CYS A 124 1.477 9.145 3.414 1.00 0.00 H new ATOM 0 HG CYS A 124 3.082 6.662 1.842 1.00 0.00 H new ATOM 2026 N LEU A 125 0.596 7.905 -0.499 1.00 0.00 N ATOM 2027 CA LEU A 125 0.884 7.310 -1.797 1.00 0.00 C ATOM 2028 C LEU A 125 2.239 7.771 -2.326 1.00 0.00 C ATOM 2029 O LEU A 125 2.580 8.950 -2.258 1.00 0.00 O ATOM 2030 CB LEU A 125 -0.219 7.653 -2.804 1.00 0.00 C ATOM 2031 CG LEU A 125 -1.533 6.888 -2.629 1.00 0.00 C ATOM 2032 CD1 LEU A 125 -2.454 7.133 -3.815 1.00 0.00 C ATOM 2033 CD2 LEU A 125 -1.269 5.399 -2.462 1.00 0.00 C ATOM 0 H LEU A 125 0.219 8.852 -0.540 1.00 0.00 H new ATOM 0 HA LEU A 125 0.918 6.228 -1.667 1.00 0.00 H new ATOM 0 HB2 LEU A 125 -0.429 8.721 -2.737 1.00 0.00 H new ATOM 0 HB3 LEU A 125 0.159 7.465 -3.809 1.00 0.00 H new ATOM 0 HG LEU A 125 -2.024 7.254 -1.727 1.00 0.00 H new ATOM 0 HD11 LEU A 125 -3.384 6.581 -3.674 1.00 0.00 H new ATOM 0 HD12 LEU A 125 -2.672 8.198 -3.892 1.00 0.00 H new ATOM 0 HD13 LEU A 125 -1.967 6.795 -4.730 1.00 0.00 H new ATOM 0 HD21 LEU A 125 -2.216 4.873 -2.339 1.00 0.00 H new ATOM 0 HD22 LEU A 125 -0.755 5.019 -3.345 1.00 0.00 H new ATOM 0 HD23 LEU A 125 -0.647 5.236 -1.582 1.00 0.00 H new ATOM 2045 N GLU A 126 3.000 6.825 -2.861 1.00 0.00 N ATOM 2046 CA GLU A 126 4.314 7.103 -3.421 1.00 0.00 C ATOM 2047 C GLU A 126 4.595 6.112 -4.538 1.00 0.00 C ATOM 2048 O GLU A 126 4.664 4.909 -4.304 1.00 0.00 O ATOM 2049 CB GLU A 126 5.391 7.003 -2.338 1.00 0.00 C ATOM 2050 CG GLU A 126 5.922 8.353 -1.882 1.00 0.00 C ATOM 2051 CD GLU A 126 7.318 8.263 -1.297 1.00 0.00 C ATOM 2052 OE1 GLU A 126 7.512 7.485 -0.340 1.00 0.00 O ATOM 2053 OE2 GLU A 126 8.218 8.972 -1.797 1.00 0.00 O ATOM 0 H GLU A 126 2.723 5.845 -2.918 1.00 0.00 H new ATOM 0 HA GLU A 126 4.330 8.117 -3.820 1.00 0.00 H new ATOM 0 HB2 GLU A 126 4.982 6.473 -1.478 1.00 0.00 H new ATOM 0 HB3 GLU A 126 6.220 6.404 -2.716 1.00 0.00 H new ATOM 0 HG2 GLU A 126 5.930 9.041 -2.728 1.00 0.00 H new ATOM 0 HG3 GLU A 126 5.246 8.772 -1.137 1.00 0.00 H new ATOM 2060 N PHE A 127 4.737 6.615 -5.755 1.00 0.00 N ATOM 2061 CA PHE A 127 4.979 5.756 -6.901 1.00 0.00 C ATOM 2062 C PHE A 127 6.471 5.492 -7.080 1.00 0.00 C ATOM 2063 O PHE A 127 7.308 6.343 -6.775 1.00 0.00 O ATOM 2064 CB PHE A 127 4.315 6.374 -8.147 1.00 0.00 C ATOM 2065 CG PHE A 127 5.229 6.712 -9.295 1.00 0.00 C ATOM 2066 CD1 PHE A 127 6.024 5.745 -9.885 1.00 0.00 C ATOM 2067 CD2 PHE A 127 5.268 8.002 -9.798 1.00 0.00 C ATOM 2068 CE1 PHE A 127 6.842 6.056 -10.945 1.00 0.00 C ATOM 2069 CE2 PHE A 127 6.082 8.318 -10.866 1.00 0.00 C ATOM 2070 CZ PHE A 127 6.872 7.344 -11.439 1.00 0.00 C ATOM 0 H PHE A 127 4.689 7.610 -5.973 1.00 0.00 H new ATOM 0 HA PHE A 127 4.525 4.779 -6.738 1.00 0.00 H new ATOM 0 HB2 PHE A 127 3.555 5.681 -8.508 1.00 0.00 H new ATOM 0 HB3 PHE A 127 3.798 7.284 -7.843 1.00 0.00 H new ATOM 0 HD1 PHE A 127 6.001 4.733 -9.508 1.00 0.00 H new ATOM 0 HD2 PHE A 127 4.654 8.769 -9.349 1.00 0.00 H new ATOM 0 HE1 PHE A 127 7.461 5.292 -11.391 1.00 0.00 H new ATOM 0 HE2 PHE A 127 6.100 9.326 -11.253 1.00 0.00 H new ATOM 0 HZ PHE A 127 7.513 7.589 -12.273 1.00 0.00 H new ATOM 2080 N ASP A 128 6.795 4.290 -7.553 1.00 0.00 N ATOM 2081 CA ASP A 128 8.182 3.893 -7.748 1.00 0.00 C ATOM 2082 C ASP A 128 8.685 4.270 -9.141 1.00 0.00 C ATOM 2083 O ASP A 128 8.398 3.587 -10.120 1.00 0.00 O ATOM 2084 CB ASP A 128 8.332 2.385 -7.539 1.00 0.00 C ATOM 2085 CG ASP A 128 9.549 2.035 -6.705 1.00 0.00 C ATOM 2086 OD1 ASP A 128 9.837 2.769 -5.737 1.00 0.00 O ATOM 2087 OD2 ASP A 128 10.214 1.026 -7.019 1.00 0.00 O ATOM 0 H ASP A 128 6.113 3.576 -7.808 1.00 0.00 H new ATOM 0 HA ASP A 128 8.784 4.428 -7.013 1.00 0.00 H new ATOM 0 HB2 ASP A 128 7.437 1.998 -7.051 1.00 0.00 H new ATOM 0 HB3 ASP A 128 8.405 1.892 -8.508 1.00 0.00 H new ATOM 2092 N GLU A 129 9.445 5.357 -9.212 1.00 0.00 N ATOM 2093 CA GLU A 129 10.006 5.839 -10.471 1.00 0.00 C ATOM 2094 C GLU A 129 11.238 5.033 -10.890 1.00 0.00 C ATOM 2095 O GLU A 129 11.872 5.342 -11.899 1.00 0.00 O ATOM 2096 CB GLU A 129 10.377 7.319 -10.333 1.00 0.00 C ATOM 2097 CG GLU A 129 9.706 8.223 -11.351 1.00 0.00 C ATOM 2098 CD GLU A 129 10.623 9.323 -11.847 1.00 0.00 C ATOM 2099 OE1 GLU A 129 10.673 10.391 -11.199 1.00 0.00 O ATOM 2100 OE2 GLU A 129 11.292 9.118 -12.881 1.00 0.00 O ATOM 0 H GLU A 129 9.690 5.928 -8.403 1.00 0.00 H new ATOM 0 HA GLU A 129 9.249 5.714 -11.246 1.00 0.00 H new ATOM 0 HB2 GLU A 129 10.111 7.657 -9.331 1.00 0.00 H new ATOM 0 HB3 GLU A 129 11.458 7.422 -10.428 1.00 0.00 H new ATOM 0 HG2 GLU A 129 9.371 7.624 -12.198 1.00 0.00 H new ATOM 0 HG3 GLU A 129 8.817 8.669 -10.905 1.00 0.00 H new