USER MOD reduce.3.24.130724 H: found=0, std=0, add=711, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 713 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 82 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 84 GLN : amide:sc= 0 X(o=0,f=-0.47) USER MOD Single : A 10 GLN : amide:sc=-0.00284 K(o=-0.0028,f=-0.91) USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 15 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0346) USER MOD Single : A 16 TYR OH : rot -118:sc= -0.693! USER MOD Single : A 18 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 21 ASN : amide:sc= -0.563 K(o=-0.56,f=0) USER MOD Single : A 22 SER OG : rot 67:sc= 1.27 USER MOD Single : A 23 HIS : no HD1:sc= -0.461 X(o=-0.46,f=0) USER MOD Single : A 30 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 32 THR OG1 : rot 180:sc= -0.576 USER MOD Single : A 35 GLN : amide:sc= -1.82! K(o=-1.8!,f=-0.2) USER MOD Single : A 38 THR OG1 : rot 77:sc= 1.24 USER MOD Single : A 41 MET CE :methyl -159:sc= -0.212 (180deg=-0.753) USER MOD Single : A 42 GLN : amide:sc= 0.36 K(o=0.36,f=-0.27) USER MOD Single : A 43 SER OG : rot 140:sc= -0.187 USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 47 GLN : amide:sc= -1.11 K(o=-1.1,f=-0.012) USER MOD Single : A 49 GLN : amide:sc=-0.00545 X(o=-0.0054,f=-0.043) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 55 ASN : amide:sc= 0 K(o=0,f=-0.57) USER MOD Single : A 57 SER OG : rot 49:sc= -0.533 USER MOD Single : A 61 GLN : amide:sc= 0 X(o=0,f=-0.46) USER MOD Single : A 64 LYS NZ :NH3+ 142:sc= 1.06 (180deg=0.387) USER MOD Single : A 66 THR OG1 : rot -179:sc= 0.231 USER MOD Single : A 74 MET CE :methyl 156:sc= -1.7 (180deg=-3.57!) USER MOD Single : A 75 HIS : no HE2:sc=-0.00261 K(o=-0.0026,f=-0.77) USER MOD Single : A 81 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 94 TYR OH : rot 180:sc= 0 USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 72 N TRP A 6 -3.068 8.852 8.179 1.00 0.00 N ATOM 73 CA TRP A 6 -3.169 8.269 6.856 1.00 0.00 C ATOM 74 C TRP A 6 -4.397 8.811 6.130 1.00 0.00 C ATOM 75 O TRP A 6 -5.525 8.659 6.602 1.00 0.00 O ATOM 76 CB TRP A 6 -3.252 6.752 6.993 1.00 0.00 C ATOM 77 CG TRP A 6 -2.929 6.004 5.742 1.00 0.00 C ATOM 78 CD1 TRP A 6 -2.379 6.502 4.598 1.00 0.00 C ATOM 79 CD2 TRP A 6 -3.125 4.608 5.520 1.00 0.00 C ATOM 80 NE1 TRP A 6 -2.230 5.500 3.675 1.00 0.00 N ATOM 81 CE2 TRP A 6 -2.681 4.327 4.217 1.00 0.00 C ATOM 82 CE3 TRP A 6 -3.641 3.569 6.301 1.00 0.00 C ATOM 83 CZ2 TRP A 6 -2.733 3.047 3.679 1.00 0.00 C ATOM 84 CZ3 TRP A 6 -3.691 2.301 5.764 1.00 0.00 C ATOM 85 CH2 TRP A 6 -3.239 2.050 4.466 1.00 0.00 C ATOM 0 HA TRP A 6 -2.289 8.533 6.269 1.00 0.00 H new ATOM 0 HB2 TRP A 6 -2.569 6.432 7.780 1.00 0.00 H new ATOM 0 HB3 TRP A 6 -4.258 6.482 7.314 1.00 0.00 H new ATOM 0 HD1 TRP A 6 -2.102 7.534 4.442 1.00 0.00 H new ATOM 0 HE1 TRP A 6 -1.846 5.610 2.737 1.00 0.00 H new ATOM 0 HE3 TRP A 6 -3.993 3.757 7.305 1.00 0.00 H new ATOM 0 HZ2 TRP A 6 -2.386 2.847 2.676 1.00 0.00 H new ATOM 0 HZ3 TRP A 6 -4.086 1.488 6.356 1.00 0.00 H new ATOM 0 HH2 TRP A 6 -3.291 1.045 4.075 1.00 0.00 H new ATOM 96 N ALA A 7 -4.175 9.444 4.988 1.00 0.00 N ATOM 97 CA ALA A 7 -5.251 10.075 4.237 1.00 0.00 C ATOM 98 C ALA A 7 -5.913 9.104 3.258 1.00 0.00 C ATOM 99 O ALA A 7 -5.751 9.215 2.041 1.00 0.00 O ATOM 100 CB ALA A 7 -4.734 11.303 3.506 1.00 0.00 C ATOM 0 H ALA A 7 -3.254 9.535 4.559 1.00 0.00 H new ATOM 0 HA ALA A 7 -6.014 10.382 4.952 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -5.549 11.765 2.949 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -4.338 12.017 4.229 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -3.943 11.009 2.816 1.00 0.00 H new ATOM 106 N VAL A 8 -6.626 8.136 3.804 1.00 0.00 N ATOM 107 CA VAL A 8 -7.439 7.232 3.009 1.00 0.00 C ATOM 108 C VAL A 8 -8.776 6.971 3.714 1.00 0.00 C ATOM 109 O VAL A 8 -8.807 6.670 4.911 1.00 0.00 O ATOM 110 CB VAL A 8 -6.694 5.900 2.727 1.00 0.00 C ATOM 111 CG1 VAL A 8 -6.327 5.181 4.017 1.00 0.00 C ATOM 112 CG2 VAL A 8 -7.517 4.994 1.820 1.00 0.00 C ATOM 0 H VAL A 8 -6.658 7.954 4.807 1.00 0.00 H new ATOM 0 HA VAL A 8 -7.635 7.705 2.047 1.00 0.00 H new ATOM 0 HB VAL A 8 -5.767 6.149 2.211 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -5.807 4.253 3.781 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -5.677 5.819 4.617 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -7.234 4.956 4.579 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -6.971 4.068 1.639 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -8.469 4.766 2.300 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -7.700 5.499 0.871 1.00 0.00 H new ATOM 122 N PRO A 9 -9.899 7.138 2.989 1.00 0.00 N ATOM 123 CA PRO A 9 -11.248 6.918 3.528 1.00 0.00 C ATOM 124 C PRO A 9 -11.376 5.599 4.283 1.00 0.00 C ATOM 125 O PRO A 9 -10.894 4.556 3.830 1.00 0.00 O ATOM 126 CB PRO A 9 -12.124 6.908 2.278 1.00 0.00 C ATOM 127 CG PRO A 9 -11.408 7.788 1.319 1.00 0.00 C ATOM 128 CD PRO A 9 -9.940 7.583 1.583 1.00 0.00 C ATOM 0 HA PRO A 9 -11.523 7.680 4.257 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -12.240 5.899 1.882 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -13.125 7.283 2.491 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -11.659 7.530 0.290 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -11.688 8.831 1.463 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -9.513 6.836 0.914 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -9.374 8.503 1.437 1.00 0.00 H new ATOM 136 N GLN A 10 -12.034 5.658 5.434 1.00 0.00 N ATOM 137 CA GLN A 10 -12.184 4.502 6.309 1.00 0.00 C ATOM 138 C GLN A 10 -12.905 3.363 5.597 1.00 0.00 C ATOM 139 O GLN A 10 -12.507 2.206 5.711 1.00 0.00 O ATOM 140 CB GLN A 10 -12.947 4.903 7.574 1.00 0.00 C ATOM 141 CG GLN A 10 -13.086 3.794 8.605 1.00 0.00 C ATOM 142 CD GLN A 10 -13.943 4.216 9.782 1.00 0.00 C ATOM 143 OE1 GLN A 10 -14.852 5.035 9.639 1.00 0.00 O ATOM 144 NE2 GLN A 10 -13.662 3.665 10.952 1.00 0.00 N ATOM 0 H GLN A 10 -12.478 6.506 5.787 1.00 0.00 H new ATOM 0 HA GLN A 10 -11.190 4.150 6.585 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -12.439 5.750 8.036 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -13.942 5.244 7.290 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -13.525 2.914 8.134 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -12.097 3.505 8.962 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -12.901 2.991 11.028 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -14.207 3.915 11.777 1.00 0.00 H new ATOM 153 N SER A 11 -13.948 3.699 4.851 1.00 0.00 N ATOM 154 CA SER A 11 -14.725 2.706 4.119 1.00 0.00 C ATOM 155 C SER A 11 -13.832 1.921 3.154 1.00 0.00 C ATOM 156 O SER A 11 -14.027 0.722 2.943 1.00 0.00 O ATOM 157 CB SER A 11 -15.854 3.400 3.354 1.00 0.00 C ATOM 158 OG SER A 11 -16.810 2.473 2.869 1.00 0.00 O ATOM 0 H SER A 11 -14.278 4.657 4.736 1.00 0.00 H new ATOM 0 HA SER A 11 -15.154 2.001 4.831 1.00 0.00 H new ATOM 0 HB2 SER A 11 -16.346 4.121 4.007 1.00 0.00 H new ATOM 0 HB3 SER A 11 -15.435 3.961 2.518 1.00 0.00 H new ATOM 0 HG SER A 11 -17.516 2.953 2.388 1.00 0.00 H new ATOM 164 N SER A 12 -12.832 2.596 2.598 1.00 0.00 N ATOM 165 CA SER A 12 -11.923 1.974 1.647 1.00 0.00 C ATOM 166 C SER A 12 -10.989 0.985 2.347 1.00 0.00 C ATOM 167 O SER A 12 -10.693 -0.084 1.811 1.00 0.00 O ATOM 168 CB SER A 12 -11.107 3.045 0.918 1.00 0.00 C ATOM 169 OG SER A 12 -10.314 2.471 -0.106 1.00 0.00 O ATOM 0 H SER A 12 -12.631 3.577 2.791 1.00 0.00 H new ATOM 0 HA SER A 12 -12.518 1.423 0.919 1.00 0.00 H new ATOM 0 HB2 SER A 12 -11.778 3.789 0.489 1.00 0.00 H new ATOM 0 HB3 SER A 12 -10.467 3.566 1.630 1.00 0.00 H new ATOM 0 HG SER A 12 -9.803 3.175 -0.558 1.00 0.00 H new ATOM 175 N ARG A 13 -10.528 1.339 3.541 1.00 0.00 N ATOM 176 CA ARG A 13 -9.636 0.463 4.298 1.00 0.00 C ATOM 177 C ARG A 13 -10.415 -0.675 4.942 1.00 0.00 C ATOM 178 O ARG A 13 -9.902 -1.781 5.093 1.00 0.00 O ATOM 179 CB ARG A 13 -8.818 1.239 5.341 1.00 0.00 C ATOM 180 CG ARG A 13 -9.473 2.499 5.873 1.00 0.00 C ATOM 181 CD ARG A 13 -8.528 3.275 6.780 1.00 0.00 C ATOM 182 NE ARG A 13 -8.955 4.664 6.966 1.00 0.00 N ATOM 183 CZ ARG A 13 -8.855 5.337 8.113 1.00 0.00 C ATOM 184 NH1 ARG A 13 -8.314 4.765 9.184 1.00 0.00 N ATOM 185 NH2 ARG A 13 -9.275 6.593 8.181 1.00 0.00 N ATOM 0 H ARG A 13 -10.754 2.219 4.005 1.00 0.00 H new ATOM 0 HA ARG A 13 -8.925 0.032 3.593 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -8.609 0.576 6.181 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -7.858 1.507 4.899 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -9.781 3.131 5.040 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -10.376 2.237 6.425 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -8.471 2.781 7.750 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -7.524 3.259 6.355 1.00 0.00 H new ATOM 0 HE ARG A 13 -9.356 5.149 6.164 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -7.972 3.805 9.132 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -8.241 5.286 10.058 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -9.674 7.043 7.357 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -9.199 7.109 9.057 1.00 0.00 H new ATOM 199 N LEU A 14 -11.653 -0.397 5.311 1.00 0.00 N ATOM 200 CA LEU A 14 -12.571 -1.434 5.774 1.00 0.00 C ATOM 201 C LEU A 14 -12.787 -2.477 4.680 1.00 0.00 C ATOM 202 O LEU A 14 -12.795 -3.680 4.942 1.00 0.00 O ATOM 203 CB LEU A 14 -13.908 -0.813 6.168 1.00 0.00 C ATOM 204 CG LEU A 14 -13.882 0.053 7.423 1.00 0.00 C ATOM 205 CD1 LEU A 14 -15.262 0.631 7.700 1.00 0.00 C ATOM 206 CD2 LEU A 14 -13.390 -0.750 8.617 1.00 0.00 C ATOM 0 H LEU A 14 -12.051 0.542 5.300 1.00 0.00 H new ATOM 0 HA LEU A 14 -12.134 -1.922 6.645 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -14.267 -0.207 5.336 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -14.632 -1.614 6.315 1.00 0.00 H new ATOM 0 HG LEU A 14 -13.190 0.878 7.257 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -15.225 1.246 8.599 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -15.577 1.243 6.854 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -15.974 -0.181 7.845 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -13.378 -0.115 9.503 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -14.056 -1.596 8.786 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -12.382 -1.115 8.419 1.00 0.00 H new ATOM 218 N LYS A 15 -12.950 -1.989 3.455 1.00 0.00 N ATOM 219 CA LYS A 15 -13.090 -2.841 2.279 1.00 0.00 C ATOM 220 C LYS A 15 -11.876 -3.747 2.121 1.00 0.00 C ATOM 221 O LYS A 15 -12.011 -4.916 1.765 1.00 0.00 O ATOM 222 CB LYS A 15 -13.250 -1.964 1.033 1.00 0.00 C ATOM 223 CG LYS A 15 -13.303 -2.733 -0.275 1.00 0.00 C ATOM 224 CD LYS A 15 -13.130 -1.799 -1.461 1.00 0.00 C ATOM 225 CE LYS A 15 -13.255 -2.533 -2.785 1.00 0.00 C ATOM 226 NZ LYS A 15 -14.655 -2.952 -3.057 1.00 0.00 N ATOM 0 H LYS A 15 -12.989 -0.991 3.249 1.00 0.00 H new ATOM 0 HA LYS A 15 -13.972 -3.469 2.403 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -14.163 -1.377 1.132 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -12.420 -1.258 0.992 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -12.520 -3.492 -0.287 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -14.256 -3.256 -0.355 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -13.879 -1.008 -1.412 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -12.154 -1.317 -1.404 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -12.906 -1.888 -3.592 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -12.609 -3.411 -2.776 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -14.716 -3.358 -4.012 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -14.946 -3.665 -2.358 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -15.284 -2.126 -2.991 1.00 0.00 H new ATOM 240 N TYR A 16 -10.692 -3.220 2.388 1.00 0.00 N ATOM 241 CA TYR A 16 -9.495 -4.026 2.280 1.00 0.00 C ATOM 242 C TYR A 16 -9.315 -4.949 3.477 1.00 0.00 C ATOM 243 O TYR A 16 -8.773 -6.029 3.334 1.00 0.00 O ATOM 244 CB TYR A 16 -8.239 -3.182 2.117 1.00 0.00 C ATOM 245 CG TYR A 16 -7.003 -4.046 2.155 1.00 0.00 C ATOM 246 CD1 TYR A 16 -6.572 -4.707 1.021 1.00 0.00 C ATOM 247 CD2 TYR A 16 -6.302 -4.245 3.340 1.00 0.00 C ATOM 248 CE1 TYR A 16 -5.481 -5.539 1.064 1.00 0.00 C ATOM 249 CE2 TYR A 16 -5.203 -5.072 3.383 1.00 0.00 C ATOM 250 CZ TYR A 16 -4.797 -5.715 2.243 1.00 0.00 C ATOM 251 OH TYR A 16 -3.701 -6.542 2.276 1.00 0.00 O ATOM 0 H TYR A 16 -10.538 -2.254 2.676 1.00 0.00 H new ATOM 0 HA TYR A 16 -9.634 -4.628 1.382 1.00 0.00 H new ATOM 0 HB2 TYR A 16 -8.280 -2.640 1.172 1.00 0.00 H new ATOM 0 HB3 TYR A 16 -8.191 -2.436 2.911 1.00 0.00 H new ATOM 0 HD1 TYR A 16 -7.100 -4.567 0.089 1.00 0.00 H new ATOM 0 HD2 TYR A 16 -6.625 -3.743 4.240 1.00 0.00 H new ATOM 0 HE1 TYR A 16 -5.160 -6.055 0.171 1.00 0.00 H new ATOM 0 HE2 TYR A 16 -4.664 -5.213 4.308 1.00 0.00 H new ATOM 0 HH TYR A 16 -3.871 -7.287 2.890 1.00 0.00 H new ATOM 261 N ARG A 17 -9.736 -4.541 4.662 1.00 0.00 N ATOM 262 CA ARG A 17 -9.629 -5.424 5.822 1.00 0.00 C ATOM 263 C ARG A 17 -10.392 -6.718 5.537 1.00 0.00 C ATOM 264 O ARG A 17 -10.097 -7.770 6.088 1.00 0.00 O ATOM 265 CB ARG A 17 -10.142 -4.745 7.093 1.00 0.00 C ATOM 266 CG ARG A 17 -9.824 -5.533 8.355 1.00 0.00 C ATOM 267 CD ARG A 17 -9.796 -4.641 9.583 1.00 0.00 C ATOM 268 NE ARG A 17 -11.128 -4.186 9.972 1.00 0.00 N ATOM 269 CZ ARG A 17 -11.364 -3.122 10.738 1.00 0.00 C ATOM 270 NH1 ARG A 17 -10.360 -2.366 11.174 1.00 0.00 N ATOM 271 NH2 ARG A 17 -12.614 -2.821 11.070 1.00 0.00 N ATOM 0 H ARG A 17 -10.147 -3.626 4.850 1.00 0.00 H new ATOM 0 HA ARG A 17 -8.578 -5.657 5.995 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -9.702 -3.751 7.171 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -11.221 -4.611 7.017 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -10.569 -6.317 8.492 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -8.859 -6.027 8.242 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -9.344 -5.184 10.413 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -9.163 -3.776 9.386 1.00 0.00 H new ATOM 0 HE ARG A 17 -11.930 -4.718 9.635 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -9.399 -2.599 10.922 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -10.551 -1.553 11.760 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -13.384 -3.403 10.739 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -12.804 -2.008 11.656 1.00 0.00 H new ATOM 285 N GLN A 18 -11.349 -6.595 4.633 1.00 0.00 N ATOM 286 CA GLN A 18 -12.168 -7.693 4.135 1.00 0.00 C ATOM 287 C GLN A 18 -11.396 -8.609 3.168 1.00 0.00 C ATOM 288 O GLN A 18 -11.834 -9.713 2.853 1.00 0.00 O ATOM 289 CB GLN A 18 -13.340 -7.075 3.388 1.00 0.00 C ATOM 290 CG GLN A 18 -14.655 -7.082 4.140 1.00 0.00 C ATOM 291 CD GLN A 18 -15.769 -6.450 3.329 1.00 0.00 C ATOM 292 OE1 GLN A 18 -16.464 -7.128 2.567 1.00 0.00 O ATOM 293 NE2 GLN A 18 -15.954 -5.150 3.488 1.00 0.00 N ATOM 0 H GLN A 18 -11.587 -5.698 4.210 1.00 0.00 H new ATOM 0 HA GLN A 18 -12.486 -8.306 4.979 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -13.088 -6.045 3.136 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -13.474 -7.609 2.447 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -14.925 -8.108 4.391 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -14.539 -6.543 5.080 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -15.358 -4.625 4.128 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -16.693 -4.673 2.971 1.00 0.00 H new ATOM 302 N LEU A 19 -10.253 -8.129 2.711 1.00 0.00 N ATOM 303 CA LEU A 19 -9.507 -8.726 1.588 1.00 0.00 C ATOM 304 C LEU A 19 -8.075 -8.242 1.606 1.00 0.00 C ATOM 305 O LEU A 19 -7.526 -7.943 0.549 1.00 0.00 O ATOM 306 CB LEU A 19 -10.110 -8.200 0.296 1.00 0.00 C ATOM 307 CG LEU A 19 -9.961 -9.091 -0.945 1.00 0.00 C ATOM 308 CD1 LEU A 19 -10.570 -10.459 -0.698 1.00 0.00 C ATOM 309 CD2 LEU A 19 -10.618 -8.432 -2.146 1.00 0.00 C ATOM 0 H LEU A 19 -9.801 -7.304 3.106 1.00 0.00 H new ATOM 0 HA LEU A 19 -9.552 -9.812 1.666 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -11.173 -8.024 0.463 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -9.657 -7.233 0.077 1.00 0.00 H new ATOM 0 HG LEU A 19 -8.898 -9.220 -1.151 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -10.454 -11.075 -1.590 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -10.064 -10.936 0.141 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -11.630 -10.349 -0.468 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -10.506 -9.074 -3.020 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -11.678 -8.279 -1.942 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -10.143 -7.470 -2.339 1.00 0.00 H new ATOM 321 N PHE A 20 -7.416 -8.186 2.750 1.00 0.00 N ATOM 322 CA PHE A 20 -7.156 -9.303 3.692 1.00 0.00 C ATOM 323 C PHE A 20 -8.247 -10.345 3.967 1.00 0.00 C ATOM 324 O PHE A 20 -8.212 -11.403 3.357 1.00 0.00 O ATOM 325 CB PHE A 20 -6.654 -8.736 5.020 1.00 0.00 C ATOM 326 CG PHE A 20 -5.164 -8.857 5.187 1.00 0.00 C ATOM 327 CD1 PHE A 20 -4.333 -8.924 4.080 1.00 0.00 C ATOM 328 CD2 PHE A 20 -4.593 -8.912 6.449 1.00 0.00 C ATOM 329 CE1 PHE A 20 -2.965 -9.041 4.226 1.00 0.00 C ATOM 330 CE2 PHE A 20 -3.224 -9.030 6.601 1.00 0.00 C ATOM 331 CZ PHE A 20 -2.410 -9.095 5.487 1.00 0.00 C ATOM 0 H PHE A 20 -7.015 -7.310 3.084 1.00 0.00 H new ATOM 0 HA PHE A 20 -6.418 -9.890 3.146 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -6.937 -7.686 5.090 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -7.149 -9.255 5.840 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -4.761 -8.884 3.089 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -5.225 -8.862 7.323 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -2.330 -9.090 3.353 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -2.791 -9.071 7.590 1.00 0.00 H new ATOM 0 HZ PHE A 20 -1.340 -9.188 5.604 1.00 0.00 H new ATOM 341 N ASN A 21 -9.212 -10.051 4.834 1.00 0.00 N ATOM 342 CA ASN A 21 -9.916 -11.091 5.628 1.00 0.00 C ATOM 343 C ASN A 21 -10.365 -12.322 4.819 1.00 0.00 C ATOM 344 O ASN A 21 -10.176 -13.452 5.266 1.00 0.00 O ATOM 345 CB ASN A 21 -11.137 -10.473 6.314 1.00 0.00 C ATOM 346 CG ASN A 21 -11.827 -11.409 7.292 1.00 0.00 C ATOM 347 OD1 ASN A 21 -13.050 -11.376 7.430 1.00 0.00 O ATOM 348 ND2 ASN A 21 -11.057 -12.214 8.004 1.00 0.00 N ATOM 0 H ASN A 21 -9.536 -9.101 5.015 1.00 0.00 H new ATOM 0 HA ASN A 21 -9.186 -11.452 6.353 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -10.828 -9.572 6.844 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -11.853 -10.165 5.552 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -11.473 -12.837 8.697 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -10.047 -12.212 7.861 1.00 0.00 H new ATOM 355 N SER A 22 -10.922 -12.120 3.637 1.00 0.00 N ATOM 356 CA SER A 22 -11.412 -13.230 2.829 1.00 0.00 C ATOM 357 C SER A 22 -10.272 -14.131 2.317 1.00 0.00 C ATOM 358 O SER A 22 -10.490 -15.300 2.007 1.00 0.00 O ATOM 359 CB SER A 22 -12.233 -12.689 1.662 1.00 0.00 C ATOM 360 OG SER A 22 -13.299 -11.876 2.129 1.00 0.00 O ATOM 0 H SER A 22 -11.047 -11.200 3.214 1.00 0.00 H new ATOM 0 HA SER A 22 -12.042 -13.852 3.465 1.00 0.00 H new ATOM 0 HB2 SER A 22 -11.592 -12.109 0.998 1.00 0.00 H new ATOM 0 HB3 SER A 22 -12.631 -13.518 1.077 1.00 0.00 H new ATOM 0 HG SER A 22 -12.935 -11.067 2.546 1.00 0.00 H new ATOM 366 N HIS A 23 -9.064 -13.584 2.225 1.00 0.00 N ATOM 367 CA HIS A 23 -7.908 -14.335 1.729 1.00 0.00 C ATOM 368 C HIS A 23 -6.877 -14.574 2.828 1.00 0.00 C ATOM 369 O HIS A 23 -5.889 -15.277 2.613 1.00 0.00 O ATOM 370 CB HIS A 23 -7.237 -13.597 0.567 1.00 0.00 C ATOM 371 CG HIS A 23 -7.891 -13.820 -0.762 1.00 0.00 C ATOM 372 ND1 HIS A 23 -7.281 -14.499 -1.795 1.00 0.00 N ATOM 373 CD2 HIS A 23 -9.102 -13.440 -1.229 1.00 0.00 C ATOM 374 CE1 HIS A 23 -8.091 -14.526 -2.839 1.00 0.00 C ATOM 375 NE2 HIS A 23 -9.201 -13.892 -2.519 1.00 0.00 N ATOM 0 H HIS A 23 -8.856 -12.620 2.488 1.00 0.00 H new ATOM 0 HA HIS A 23 -8.282 -15.299 1.384 1.00 0.00 H new ATOM 0 HB2 HIS A 23 -7.234 -12.529 0.783 1.00 0.00 H new ATOM 0 HB3 HIS A 23 -6.195 -13.912 0.504 1.00 0.00 H new ATOM 0 HD2 HIS A 23 -9.852 -12.884 -0.686 1.00 0.00 H new ATOM 0 HE1 HIS A 23 -7.879 -14.989 -3.792 1.00 0.00 H new ATOM 0 HE2 HIS A 23 -10.005 -13.759 -3.133 1.00 0.00 H new ATOM 384 N ASP A 24 -7.100 -13.991 3.997 1.00 0.00 N ATOM 385 CA ASP A 24 -6.141 -14.104 5.089 1.00 0.00 C ATOM 386 C ASP A 24 -6.249 -15.455 5.774 1.00 0.00 C ATOM 387 O ASP A 24 -7.331 -15.880 6.182 1.00 0.00 O ATOM 388 CB ASP A 24 -6.331 -12.990 6.117 1.00 0.00 C ATOM 389 CG ASP A 24 -5.504 -13.217 7.370 1.00 0.00 C ATOM 390 OD1 ASP A 24 -4.263 -13.354 7.264 1.00 0.00 O ATOM 391 OD2 ASP A 24 -6.094 -13.274 8.466 1.00 0.00 O ATOM 0 H ASP A 24 -7.930 -13.439 4.214 1.00 0.00 H new ATOM 0 HA ASP A 24 -5.147 -14.007 4.652 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -6.055 -12.035 5.670 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -7.385 -12.923 6.387 1.00 0.00 H new ATOM 467 N HIS A 30 1.433 -9.573 5.500 1.00 0.00 N ATOM 468 CA HIS A 30 1.633 -9.163 4.119 1.00 0.00 C ATOM 469 C HIS A 30 1.446 -10.323 3.163 1.00 0.00 C ATOM 470 O HIS A 30 1.709 -11.475 3.508 1.00 0.00 O ATOM 471 CB HIS A 30 3.023 -8.538 3.908 1.00 0.00 C ATOM 472 CG HIS A 30 4.180 -9.403 4.300 1.00 0.00 C ATOM 473 ND1 HIS A 30 4.770 -9.350 5.541 1.00 0.00 N ATOM 474 CD2 HIS A 30 4.874 -10.326 3.595 1.00 0.00 C ATOM 475 CE1 HIS A 30 5.776 -10.200 5.585 1.00 0.00 C ATOM 476 NE2 HIS A 30 5.865 -10.808 4.417 1.00 0.00 N ATOM 0 HA HIS A 30 0.877 -8.408 3.906 1.00 0.00 H new ATOM 0 HB2 HIS A 30 3.128 -8.274 2.856 1.00 0.00 H new ATOM 0 HB3 HIS A 30 3.076 -7.610 4.477 1.00 0.00 H new ATOM 0 HD2 HIS A 30 4.685 -10.628 2.576 1.00 0.00 H new ATOM 0 HE1 HIS A 30 6.420 -10.371 6.435 1.00 0.00 H new ATOM 0 HE2 HIS A 30 6.554 -11.517 4.166 1.00 0.00 H new ATOM 485 N LEU A 31 0.999 -9.997 1.964 1.00 0.00 N ATOM 486 CA LEU A 31 0.847 -10.977 0.905 1.00 0.00 C ATOM 487 C LEU A 31 2.122 -11.015 0.079 1.00 0.00 C ATOM 488 O LEU A 31 2.959 -10.112 0.175 1.00 0.00 O ATOM 489 CB LEU A 31 -0.350 -10.636 0.011 1.00 0.00 C ATOM 490 CG LEU A 31 -1.710 -10.629 0.713 1.00 0.00 C ATOM 491 CD1 LEU A 31 -2.806 -10.239 -0.262 1.00 0.00 C ATOM 492 CD2 LEU A 31 -2.012 -11.987 1.331 1.00 0.00 C ATOM 0 H LEU A 31 0.732 -9.049 1.698 1.00 0.00 H new ATOM 0 HA LEU A 31 0.665 -11.955 1.350 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -0.183 -9.654 -0.432 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -0.386 -11.354 -0.809 1.00 0.00 H new ATOM 0 HG LEU A 31 -1.673 -9.891 1.515 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -3.767 -10.239 0.252 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -2.605 -9.243 -0.656 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -2.834 -10.955 -1.083 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -2.984 -11.955 1.823 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -2.026 -12.747 0.550 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -1.243 -12.233 2.063 1.00 0.00 H new ATOM 504 N THR A 32 2.274 -12.047 -0.727 1.00 0.00 N ATOM 505 CA THR A 32 3.464 -12.192 -1.542 1.00 0.00 C ATOM 506 C THR A 32 3.309 -11.433 -2.851 1.00 0.00 C ATOM 507 O THR A 32 2.200 -11.021 -3.207 1.00 0.00 O ATOM 508 CB THR A 32 3.760 -13.681 -1.823 1.00 0.00 C ATOM 509 OG1 THR A 32 2.590 -14.324 -2.344 1.00 0.00 O ATOM 510 CG2 THR A 32 4.211 -14.392 -0.556 1.00 0.00 C ATOM 0 H THR A 32 1.590 -12.796 -0.835 1.00 0.00 H new ATOM 0 HA THR A 32 4.305 -11.772 -0.990 1.00 0.00 H new ATOM 0 HB THR A 32 4.563 -13.736 -2.558 1.00 0.00 H new ATOM 0 HG1 THR A 32 2.787 -15.268 -2.521 1.00 0.00 H new ATOM 0 HG21 THR A 32 4.414 -15.440 -0.779 1.00 0.00 H new ATOM 0 HG22 THR A 32 5.117 -13.920 -0.177 1.00 0.00 H new ATOM 0 HG23 THR A 32 3.426 -14.327 0.197 1.00 0.00 H new ATOM 518 N GLY A 33 4.423 -11.248 -3.552 1.00 0.00 N ATOM 519 CA GLY A 33 4.420 -10.539 -4.818 1.00 0.00 C ATOM 520 C GLY A 33 3.347 -11.039 -5.769 1.00 0.00 C ATOM 521 O GLY A 33 2.438 -10.286 -6.127 1.00 0.00 O ATOM 0 H GLY A 33 5.341 -11.583 -3.259 1.00 0.00 H new ATOM 0 HA2 GLY A 33 4.269 -9.475 -4.633 1.00 0.00 H new ATOM 0 HA3 GLY A 33 5.396 -10.645 -5.291 1.00 0.00 H new ATOM 525 N PRO A 34 3.432 -12.309 -6.205 1.00 0.00 N ATOM 526 CA PRO A 34 2.442 -12.911 -7.101 1.00 0.00 C ATOM 527 C PRO A 34 1.007 -12.778 -6.585 1.00 0.00 C ATOM 528 O PRO A 34 0.120 -12.393 -7.340 1.00 0.00 O ATOM 529 CB PRO A 34 2.852 -14.392 -7.171 1.00 0.00 C ATOM 530 CG PRO A 34 3.854 -14.584 -6.080 1.00 0.00 C ATOM 531 CD PRO A 34 4.515 -13.254 -5.889 1.00 0.00 C ATOM 0 HA PRO A 34 2.437 -12.412 -8.070 1.00 0.00 H new ATOM 0 HB2 PRO A 34 1.990 -15.044 -7.031 1.00 0.00 H new ATOM 0 HB3 PRO A 34 3.280 -14.635 -8.144 1.00 0.00 H new ATOM 0 HG2 PRO A 34 3.371 -14.916 -5.161 1.00 0.00 H new ATOM 0 HG3 PRO A 34 4.584 -15.347 -6.350 1.00 0.00 H new ATOM 0 HD2 PRO A 34 4.881 -13.126 -4.870 1.00 0.00 H new ATOM 0 HD3 PRO A 34 5.370 -13.127 -6.553 1.00 0.00 H new ATOM 539 N GLN A 35 0.778 -13.079 -5.304 1.00 0.00 N ATOM 540 CA GLN A 35 -0.576 -13.032 -4.742 1.00 0.00 C ATOM 541 C GLN A 35 -1.158 -11.624 -4.812 1.00 0.00 C ATOM 542 O GLN A 35 -2.323 -11.446 -5.172 1.00 0.00 O ATOM 543 CB GLN A 35 -0.607 -13.535 -3.295 1.00 0.00 C ATOM 544 CG GLN A 35 -0.420 -15.039 -3.164 1.00 0.00 C ATOM 545 CD GLN A 35 -1.045 -15.598 -1.896 1.00 0.00 C ATOM 546 OE1 GLN A 35 -0.546 -16.563 -1.314 1.00 0.00 O ATOM 547 NE2 GLN A 35 -2.162 -15.019 -1.480 1.00 0.00 N ATOM 0 H GLN A 35 1.503 -13.355 -4.642 1.00 0.00 H new ATOM 0 HA GLN A 35 -1.191 -13.696 -5.350 1.00 0.00 H new ATOM 0 HB2 GLN A 35 0.175 -13.030 -2.728 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -1.559 -13.256 -2.843 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -0.861 -15.533 -4.030 1.00 0.00 H new ATOM 0 HG3 GLN A 35 0.645 -15.271 -3.172 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -2.544 -14.222 -1.989 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -2.640 -15.370 -0.650 1.00 0.00 H new ATOM 556 N ALA A 36 -0.342 -10.631 -4.479 1.00 0.00 N ATOM 557 CA ALA A 36 -0.760 -9.241 -4.567 1.00 0.00 C ATOM 558 C ALA A 36 -1.076 -8.873 -6.015 1.00 0.00 C ATOM 559 O ALA A 36 -2.130 -8.312 -6.312 1.00 0.00 O ATOM 560 CB ALA A 36 0.323 -8.335 -4.011 1.00 0.00 C ATOM 0 H ALA A 36 0.613 -10.765 -4.146 1.00 0.00 H new ATOM 0 HA ALA A 36 -1.664 -9.107 -3.973 1.00 0.00 H new ATOM 0 HB1 ALA A 36 0.000 -7.296 -4.082 1.00 0.00 H new ATOM 0 HB2 ALA A 36 0.508 -8.587 -2.967 1.00 0.00 H new ATOM 0 HB3 ALA A 36 1.240 -8.470 -4.585 1.00 0.00 H new ATOM 566 N ARG A 37 -0.162 -9.231 -6.912 1.00 0.00 N ATOM 567 CA ARG A 37 -0.313 -8.941 -8.334 1.00 0.00 C ATOM 568 C ARG A 37 -1.508 -9.682 -8.930 1.00 0.00 C ATOM 569 O ARG A 37 -2.146 -9.196 -9.863 1.00 0.00 O ATOM 570 CB ARG A 37 0.970 -9.315 -9.080 1.00 0.00 C ATOM 571 CG ARG A 37 2.131 -8.376 -8.794 1.00 0.00 C ATOM 572 CD ARG A 37 3.360 -8.742 -9.610 1.00 0.00 C ATOM 573 NE ARG A 37 4.500 -7.870 -9.309 1.00 0.00 N ATOM 574 CZ ARG A 37 5.509 -7.635 -10.155 1.00 0.00 C ATOM 575 NH1 ARG A 37 5.502 -8.166 -11.371 1.00 0.00 N ATOM 576 NH2 ARG A 37 6.522 -6.857 -9.787 1.00 0.00 N ATOM 0 H ARG A 37 0.698 -9.727 -6.676 1.00 0.00 H new ATOM 0 HA ARG A 37 -0.496 -7.872 -8.446 1.00 0.00 H new ATOM 0 HB2 ARG A 37 1.258 -10.330 -8.806 1.00 0.00 H new ATOM 0 HB3 ARG A 37 0.771 -9.318 -10.152 1.00 0.00 H new ATOM 0 HG2 ARG A 37 1.835 -7.351 -9.020 1.00 0.00 H new ATOM 0 HG3 ARG A 37 2.375 -8.411 -7.732 1.00 0.00 H new ATOM 0 HD2 ARG A 37 3.633 -9.778 -9.409 1.00 0.00 H new ATOM 0 HD3 ARG A 37 3.123 -8.675 -10.672 1.00 0.00 H new ATOM 0 HE ARG A 37 4.525 -7.414 -8.397 1.00 0.00 H new ATOM 0 HH11 ARG A 37 4.724 -8.757 -11.665 1.00 0.00 H new ATOM 0 HH12 ARG A 37 6.274 -7.983 -12.012 1.00 0.00 H new ATOM 0 HH21 ARG A 37 6.531 -6.437 -8.857 1.00 0.00 H new ATOM 0 HH22 ARG A 37 7.290 -6.680 -10.434 1.00 0.00 H new ATOM 590 N THR A 38 -1.811 -10.853 -8.377 1.00 0.00 N ATOM 591 CA THR A 38 -2.934 -11.657 -8.836 1.00 0.00 C ATOM 592 C THR A 38 -4.239 -10.878 -8.705 1.00 0.00 C ATOM 593 O THR A 38 -4.975 -10.723 -9.679 1.00 0.00 O ATOM 594 CB THR A 38 -3.045 -12.988 -8.051 1.00 0.00 C ATOM 595 OG1 THR A 38 -1.880 -13.793 -8.267 1.00 0.00 O ATOM 596 CG2 THR A 38 -4.281 -13.773 -8.468 1.00 0.00 C ATOM 0 H THR A 38 -1.289 -11.267 -7.605 1.00 0.00 H new ATOM 0 HA THR A 38 -2.754 -11.893 -9.885 1.00 0.00 H new ATOM 0 HB THR A 38 -3.128 -12.740 -6.993 1.00 0.00 H new ATOM 0 HG1 THR A 38 -1.136 -13.440 -7.736 1.00 0.00 H new ATOM 0 HG21 THR A 38 -4.331 -14.702 -7.900 1.00 0.00 H new ATOM 0 HG22 THR A 38 -5.173 -13.179 -8.271 1.00 0.00 H new ATOM 0 HG23 THR A 38 -4.225 -14.002 -9.532 1.00 0.00 H new ATOM 604 N ILE A 39 -4.501 -10.364 -7.506 1.00 0.00 N ATOM 605 CA ILE A 39 -5.726 -9.621 -7.250 1.00 0.00 C ATOM 606 C ILE A 39 -5.733 -8.316 -8.043 1.00 0.00 C ATOM 607 O ILE A 39 -6.768 -7.892 -8.559 1.00 0.00 O ATOM 608 CB ILE A 39 -5.898 -9.328 -5.742 1.00 0.00 C ATOM 609 CG1 ILE A 39 -5.892 -10.638 -4.947 1.00 0.00 C ATOM 610 CG2 ILE A 39 -7.189 -8.555 -5.487 1.00 0.00 C ATOM 611 CD1 ILE A 39 -6.007 -10.448 -3.448 1.00 0.00 C ATOM 0 H ILE A 39 -3.882 -10.449 -6.700 1.00 0.00 H new ATOM 0 HA ILE A 39 -6.565 -10.237 -7.574 1.00 0.00 H new ATOM 0 HB ILE A 39 -5.062 -8.712 -5.411 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -6.718 -11.262 -5.288 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -4.971 -11.180 -5.165 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -7.291 -8.359 -4.420 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -7.160 -7.609 -6.028 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -8.040 -9.144 -5.831 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -5.996 -11.421 -2.956 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -5.168 -9.851 -3.091 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -6.941 -9.935 -3.217 1.00 0.00 H new ATOM 623 N LEU A 40 -4.558 -7.709 -8.163 1.00 0.00 N ATOM 624 CA LEU A 40 -4.399 -6.464 -8.903 1.00 0.00 C ATOM 625 C LEU A 40 -4.790 -6.631 -10.373 1.00 0.00 C ATOM 626 O LEU A 40 -5.513 -5.802 -10.932 1.00 0.00 O ATOM 627 CB LEU A 40 -2.949 -5.979 -8.792 1.00 0.00 C ATOM 628 CG LEU A 40 -2.538 -5.452 -7.414 1.00 0.00 C ATOM 629 CD1 LEU A 40 -1.080 -5.018 -7.429 1.00 0.00 C ATOM 630 CD2 LEU A 40 -3.438 -4.299 -6.994 1.00 0.00 C ATOM 0 H LEU A 40 -3.694 -8.064 -7.753 1.00 0.00 H new ATOM 0 HA LEU A 40 -5.066 -5.721 -8.466 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -2.287 -6.802 -9.060 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -2.790 -5.190 -9.527 1.00 0.00 H new ATOM 0 HG LEU A 40 -2.651 -6.255 -6.686 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -0.801 -4.646 -6.443 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -0.450 -5.869 -7.687 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -0.943 -4.228 -8.167 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -3.132 -3.937 -6.013 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -3.357 -3.491 -7.721 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -4.471 -4.642 -6.948 1.00 0.00 H new ATOM 642 N MET A 41 -4.332 -7.713 -10.988 1.00 0.00 N ATOM 643 CA MET A 41 -4.591 -7.956 -12.405 1.00 0.00 C ATOM 644 C MET A 41 -6.067 -8.232 -12.683 1.00 0.00 C ATOM 645 O MET A 41 -6.541 -8.023 -13.802 1.00 0.00 O ATOM 646 CB MET A 41 -3.744 -9.122 -12.917 1.00 0.00 C ATOM 647 CG MET A 41 -2.278 -8.773 -13.113 1.00 0.00 C ATOM 648 SD MET A 41 -2.026 -7.524 -14.390 1.00 0.00 S ATOM 649 CE MET A 41 -2.670 -8.373 -15.831 1.00 0.00 C ATOM 0 H MET A 41 -3.779 -8.438 -10.530 1.00 0.00 H new ATOM 0 HA MET A 41 -4.315 -7.045 -12.936 1.00 0.00 H new ATOM 0 HB2 MET A 41 -3.820 -9.951 -12.213 1.00 0.00 H new ATOM 0 HB3 MET A 41 -4.155 -9.470 -13.865 1.00 0.00 H new ATOM 0 HG2 MET A 41 -1.865 -8.412 -12.171 1.00 0.00 H new ATOM 0 HG3 MET A 41 -1.726 -9.675 -13.378 1.00 0.00 H new ATOM 0 HE1 MET A 41 -2.262 -7.918 -16.734 1.00 0.00 H new ATOM 0 HE2 MET A 41 -2.383 -9.424 -15.793 1.00 0.00 H new ATOM 0 HE3 MET A 41 -3.757 -8.294 -15.844 1.00 0.00 H new ATOM 659 N GLN A 42 -6.799 -8.677 -11.666 1.00 0.00 N ATOM 660 CA GLN A 42 -8.212 -9.017 -11.834 1.00 0.00 C ATOM 661 C GLN A 42 -9.046 -7.769 -12.118 1.00 0.00 C ATOM 662 O GLN A 42 -10.163 -7.859 -12.629 1.00 0.00 O ATOM 663 CB GLN A 42 -8.757 -9.734 -10.591 1.00 0.00 C ATOM 664 CG GLN A 42 -7.912 -10.917 -10.144 1.00 0.00 C ATOM 665 CD GLN A 42 -7.737 -11.978 -11.218 1.00 0.00 C ATOM 666 OE1 GLN A 42 -8.626 -12.218 -12.035 1.00 0.00 O ATOM 667 NE2 GLN A 42 -6.574 -12.604 -11.232 1.00 0.00 N ATOM 0 H GLN A 42 -6.441 -8.811 -10.720 1.00 0.00 H new ATOM 0 HA GLN A 42 -8.287 -9.690 -12.688 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -8.826 -9.019 -9.772 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -9.770 -10.080 -10.798 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -6.930 -10.557 -9.837 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -8.373 -11.372 -9.267 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -5.863 -12.376 -10.537 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -6.386 -13.316 -11.938 1.00 0.00 H new ATOM 676 N SER A 43 -8.496 -6.601 -11.798 1.00 0.00 N ATOM 677 CA SER A 43 -9.190 -5.340 -12.027 1.00 0.00 C ATOM 678 C SER A 43 -9.292 -5.049 -13.527 1.00 0.00 C ATOM 679 O SER A 43 -10.169 -4.296 -13.962 1.00 0.00 O ATOM 680 CB SER A 43 -8.465 -4.202 -11.302 1.00 0.00 C ATOM 681 OG SER A 43 -9.237 -3.014 -11.308 1.00 0.00 O ATOM 0 H SER A 43 -7.571 -6.503 -11.379 1.00 0.00 H new ATOM 0 HA SER A 43 -10.201 -5.418 -11.627 1.00 0.00 H new ATOM 0 HB2 SER A 43 -8.256 -4.498 -10.274 1.00 0.00 H new ATOM 0 HB3 SER A 43 -7.504 -4.016 -11.782 1.00 0.00 H new ATOM 0 HG SER A 43 -9.162 -2.571 -10.437 1.00 0.00 H new ATOM 687 N SER A 44 -8.400 -5.671 -14.307 1.00 0.00 N ATOM 688 CA SER A 44 -8.394 -5.547 -15.770 1.00 0.00 C ATOM 689 C SER A 44 -7.994 -4.136 -16.214 1.00 0.00 C ATOM 690 O SER A 44 -8.324 -3.699 -17.320 1.00 0.00 O ATOM 691 CB SER A 44 -9.768 -5.924 -16.336 1.00 0.00 C ATOM 692 OG SER A 44 -10.178 -7.197 -15.860 1.00 0.00 O ATOM 0 H SER A 44 -7.663 -6.274 -13.942 1.00 0.00 H new ATOM 0 HA SER A 44 -7.647 -6.237 -16.164 1.00 0.00 H new ATOM 0 HB2 SER A 44 -10.503 -5.171 -16.051 1.00 0.00 H new ATOM 0 HB3 SER A 44 -9.727 -5.934 -17.425 1.00 0.00 H new ATOM 0 HG SER A 44 -11.058 -7.417 -16.232 1.00 0.00 H new ATOM 698 N LEU A 45 -7.261 -3.440 -15.353 1.00 0.00 N ATOM 699 CA LEU A 45 -6.776 -2.098 -15.662 1.00 0.00 C ATOM 700 C LEU A 45 -5.519 -2.161 -16.531 1.00 0.00 C ATOM 701 O LEU A 45 -4.901 -3.219 -16.657 1.00 0.00 O ATOM 702 CB LEU A 45 -6.483 -1.327 -14.368 1.00 0.00 C ATOM 703 CG LEU A 45 -7.705 -0.999 -13.510 1.00 0.00 C ATOM 704 CD1 LEU A 45 -7.288 -0.225 -12.268 1.00 0.00 C ATOM 705 CD2 LEU A 45 -8.724 -0.205 -14.313 1.00 0.00 C ATOM 0 H LEU A 45 -6.988 -3.783 -14.432 1.00 0.00 H new ATOM 0 HA LEU A 45 -7.554 -1.575 -16.218 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -5.785 -1.910 -13.768 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -5.980 -0.395 -14.626 1.00 0.00 H new ATOM 0 HG LEU A 45 -8.168 -1.935 -13.197 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -8.169 0.001 -11.667 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -6.593 -0.826 -11.681 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -6.803 0.705 -12.565 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -9.587 0.019 -13.686 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -8.272 0.726 -14.655 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -9.044 -0.791 -15.175 1.00 0.00 H new ATOM 717 N PRO A 46 -5.142 -1.034 -17.167 1.00 0.00 N ATOM 718 CA PRO A 46 -3.918 -0.948 -17.969 1.00 0.00 C ATOM 719 C PRO A 46 -2.665 -1.287 -17.162 1.00 0.00 C ATOM 720 O PRO A 46 -2.436 -0.736 -16.081 1.00 0.00 O ATOM 721 CB PRO A 46 -3.883 0.511 -18.446 1.00 0.00 C ATOM 722 CG PRO A 46 -4.858 1.239 -17.586 1.00 0.00 C ATOM 723 CD PRO A 46 -5.894 0.232 -17.183 1.00 0.00 C ATOM 0 HA PRO A 46 -3.926 -1.666 -18.789 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -2.882 0.932 -18.346 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -4.157 0.586 -19.498 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -4.365 1.662 -16.711 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -5.312 2.069 -18.128 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -6.319 0.460 -16.206 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -6.722 0.200 -17.891 1.00 0.00 H new ATOM 731 N GLN A 47 -1.862 -2.197 -17.703 1.00 0.00 N ATOM 732 CA GLN A 47 -0.639 -2.659 -17.053 1.00 0.00 C ATOM 733 C GLN A 47 0.320 -1.506 -16.771 1.00 0.00 C ATOM 734 O GLN A 47 1.027 -1.519 -15.768 1.00 0.00 O ATOM 735 CB GLN A 47 0.054 -3.708 -17.925 1.00 0.00 C ATOM 736 CG GLN A 47 0.106 -5.098 -17.308 1.00 0.00 C ATOM 737 CD GLN A 47 0.977 -5.166 -16.069 1.00 0.00 C ATOM 738 OE1 GLN A 47 2.184 -5.393 -16.157 1.00 0.00 O ATOM 739 NE2 GLN A 47 0.370 -4.993 -14.909 1.00 0.00 N ATOM 0 H GLN A 47 -2.040 -2.636 -18.606 1.00 0.00 H new ATOM 0 HA GLN A 47 -0.919 -3.103 -16.098 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -0.463 -3.767 -18.883 1.00 0.00 H new ATOM 0 HB3 GLN A 47 1.072 -3.377 -18.132 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -0.905 -5.413 -17.052 1.00 0.00 H new ATOM 0 HG3 GLN A 47 0.482 -5.804 -18.048 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -0.632 -4.807 -14.881 1.00 0.00 H new ATOM 0 HE22 GLN A 47 0.904 -5.046 -14.041 1.00 0.00 H new ATOM 748 N ALA A 48 0.340 -0.513 -17.658 1.00 0.00 N ATOM 749 CA ALA A 48 1.186 0.662 -17.473 1.00 0.00 C ATOM 750 C ALA A 48 0.849 1.370 -16.163 1.00 0.00 C ATOM 751 O ALA A 48 1.737 1.713 -15.380 1.00 0.00 O ATOM 752 CB ALA A 48 1.030 1.613 -18.649 1.00 0.00 C ATOM 0 H ALA A 48 -0.220 -0.499 -18.511 1.00 0.00 H new ATOM 0 HA ALA A 48 2.225 0.335 -17.424 1.00 0.00 H new ATOM 0 HB1 ALA A 48 1.666 2.485 -18.499 1.00 0.00 H new ATOM 0 HB2 ALA A 48 1.322 1.105 -19.569 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -0.010 1.931 -18.724 1.00 0.00 H new ATOM 758 N GLN A 49 -0.443 1.565 -15.926 1.00 0.00 N ATOM 759 CA GLN A 49 -0.917 2.178 -14.693 1.00 0.00 C ATOM 760 C GLN A 49 -0.622 1.268 -13.508 1.00 0.00 C ATOM 761 O GLN A 49 -0.161 1.720 -12.462 1.00 0.00 O ATOM 762 CB GLN A 49 -2.422 2.451 -14.785 1.00 0.00 C ATOM 763 CG GLN A 49 -2.787 3.489 -15.836 1.00 0.00 C ATOM 764 CD GLN A 49 -2.443 4.899 -15.405 1.00 0.00 C ATOM 765 OE1 GLN A 49 -1.328 5.373 -15.615 1.00 0.00 O ATOM 766 NE2 GLN A 49 -3.411 5.588 -14.825 1.00 0.00 N ATOM 0 H GLN A 49 -1.184 1.305 -16.577 1.00 0.00 H new ATOM 0 HA GLN A 49 -0.396 3.124 -14.548 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -2.939 1.519 -15.012 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -2.782 2.787 -13.813 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -2.265 3.259 -16.765 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -3.855 3.428 -16.047 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -4.322 5.156 -14.670 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -3.247 6.551 -14.533 1.00 0.00 H new ATOM 775 N LEU A 50 -0.875 -0.022 -13.698 1.00 0.00 N ATOM 776 CA LEU A 50 -0.643 -1.022 -12.670 1.00 0.00 C ATOM 777 C LEU A 50 0.821 -1.043 -12.233 1.00 0.00 C ATOM 778 O LEU A 50 1.120 -1.186 -11.047 1.00 0.00 O ATOM 779 CB LEU A 50 -1.061 -2.400 -13.193 1.00 0.00 C ATOM 780 CG LEU A 50 -2.564 -2.585 -13.419 1.00 0.00 C ATOM 781 CD1 LEU A 50 -2.851 -3.971 -13.973 1.00 0.00 C ATOM 782 CD2 LEU A 50 -3.332 -2.361 -12.125 1.00 0.00 C ATOM 0 H LEU A 50 -1.246 -0.401 -14.569 1.00 0.00 H new ATOM 0 HA LEU A 50 -1.244 -0.765 -11.798 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -0.543 -2.586 -14.134 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -0.720 -3.157 -12.487 1.00 0.00 H new ATOM 0 HG LEU A 50 -2.895 -1.845 -14.148 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -3.924 -4.086 -14.128 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -2.332 -4.098 -14.923 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -2.504 -4.724 -13.266 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -4.398 -2.497 -12.306 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -2.997 -3.077 -11.375 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -3.151 -1.348 -11.765 1.00 0.00 H new ATOM 794 N ALA A 51 1.726 -0.890 -13.197 1.00 0.00 N ATOM 795 CA ALA A 51 3.157 -0.868 -12.916 1.00 0.00 C ATOM 796 C ALA A 51 3.521 0.302 -12.010 1.00 0.00 C ATOM 797 O ALA A 51 4.346 0.165 -11.104 1.00 0.00 O ATOM 798 CB ALA A 51 3.950 -0.795 -14.213 1.00 0.00 C ATOM 0 H ALA A 51 1.491 -0.779 -14.183 1.00 0.00 H new ATOM 0 HA ALA A 51 3.412 -1.792 -12.397 1.00 0.00 H new ATOM 0 HB1 ALA A 51 5.016 -0.779 -13.987 1.00 0.00 H new ATOM 0 HB2 ALA A 51 3.722 -1.665 -14.828 1.00 0.00 H new ATOM 0 HB3 ALA A 51 3.680 0.112 -14.754 1.00 0.00 H new ATOM 804 N SER A 52 2.900 1.451 -12.255 1.00 0.00 N ATOM 805 CA SER A 52 3.145 2.635 -11.445 1.00 0.00 C ATOM 806 C SER A 52 2.551 2.447 -10.053 1.00 0.00 C ATOM 807 O SER A 52 3.205 2.723 -9.050 1.00 0.00 O ATOM 808 CB SER A 52 2.552 3.883 -12.113 1.00 0.00 C ATOM 809 OG SER A 52 2.870 5.058 -11.385 1.00 0.00 O ATOM 0 H SER A 52 2.225 1.586 -13.007 1.00 0.00 H new ATOM 0 HA SER A 52 4.222 2.776 -11.355 1.00 0.00 H new ATOM 0 HB2 SER A 52 2.933 3.969 -13.131 1.00 0.00 H new ATOM 0 HB3 SER A 52 1.469 3.779 -12.186 1.00 0.00 H new ATOM 0 HG SER A 52 2.481 5.837 -11.835 1.00 0.00 H new ATOM 815 N ILE A 53 1.317 1.952 -10.002 1.00 0.00 N ATOM 816 CA ILE A 53 0.630 1.719 -8.736 1.00 0.00 C ATOM 817 C ILE A 53 1.420 0.752 -7.857 1.00 0.00 C ATOM 818 O ILE A 53 1.563 0.979 -6.660 1.00 0.00 O ATOM 819 CB ILE A 53 -0.801 1.175 -8.966 1.00 0.00 C ATOM 820 CG1 ILE A 53 -1.640 2.217 -9.717 1.00 0.00 C ATOM 821 CG2 ILE A 53 -1.466 0.805 -7.646 1.00 0.00 C ATOM 822 CD1 ILE A 53 -3.031 1.743 -10.078 1.00 0.00 C ATOM 0 H ILE A 53 0.771 1.704 -10.827 1.00 0.00 H new ATOM 0 HA ILE A 53 0.556 2.678 -8.224 1.00 0.00 H new ATOM 0 HB ILE A 53 -0.733 0.270 -9.570 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -1.721 3.114 -9.103 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -1.116 2.501 -10.629 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -2.470 0.426 -7.838 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -0.878 0.036 -7.145 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -1.527 1.688 -7.009 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -3.560 2.536 -10.606 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -2.961 0.864 -10.719 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -3.575 1.487 -9.169 1.00 0.00 H new ATOM 834 N TRP A 54 1.943 -0.312 -8.456 1.00 0.00 N ATOM 835 CA TRP A 54 2.787 -1.257 -7.731 1.00 0.00 C ATOM 836 C TRP A 54 4.014 -0.554 -7.160 1.00 0.00 C ATOM 837 O TRP A 54 4.316 -0.676 -5.973 1.00 0.00 O ATOM 838 CB TRP A 54 3.233 -2.396 -8.650 1.00 0.00 C ATOM 839 CG TRP A 54 4.208 -3.337 -8.004 1.00 0.00 C ATOM 840 CD1 TRP A 54 5.572 -3.254 -8.040 1.00 0.00 C ATOM 841 CD2 TRP A 54 3.899 -4.494 -7.218 1.00 0.00 C ATOM 842 NE1 TRP A 54 6.126 -4.289 -7.330 1.00 0.00 N ATOM 843 CE2 TRP A 54 5.122 -5.061 -6.811 1.00 0.00 C ATOM 844 CE3 TRP A 54 2.707 -5.103 -6.814 1.00 0.00 C ATOM 845 CZ2 TRP A 54 5.186 -6.210 -6.026 1.00 0.00 C ATOM 846 CZ3 TRP A 54 2.772 -6.242 -6.035 1.00 0.00 C ATOM 847 CH2 TRP A 54 4.004 -6.782 -5.644 1.00 0.00 C ATOM 0 H TRP A 54 1.798 -0.542 -9.439 1.00 0.00 H new ATOM 0 HA TRP A 54 2.199 -1.670 -6.911 1.00 0.00 H new ATOM 0 HB2 TRP A 54 2.356 -2.958 -8.972 1.00 0.00 H new ATOM 0 HB3 TRP A 54 3.687 -1.973 -9.546 1.00 0.00 H new ATOM 0 HD1 TRP A 54 6.132 -2.486 -8.553 1.00 0.00 H new ATOM 0 HE1 TRP A 54 7.125 -4.456 -7.209 1.00 0.00 H new ATOM 0 HE3 TRP A 54 1.753 -4.690 -7.106 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 6.134 -6.634 -5.730 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 1.858 -6.724 -5.722 1.00 0.00 H new ATOM 0 HH2 TRP A 54 4.021 -7.669 -5.028 1.00 0.00 H new ATOM 858 N ASN A 55 4.707 0.182 -8.023 1.00 0.00 N ATOM 859 CA ASN A 55 5.926 0.896 -7.640 1.00 0.00 C ATOM 860 C ASN A 55 5.639 1.876 -6.498 1.00 0.00 C ATOM 861 O ASN A 55 6.451 2.057 -5.591 1.00 0.00 O ATOM 862 CB ASN A 55 6.487 1.654 -8.850 1.00 0.00 C ATOM 863 CG ASN A 55 7.840 2.286 -8.584 1.00 0.00 C ATOM 864 OD1 ASN A 55 8.648 1.762 -7.822 1.00 0.00 O ATOM 865 ND2 ASN A 55 8.098 3.422 -9.217 1.00 0.00 N ATOM 0 H ASN A 55 4.444 0.302 -9.001 1.00 0.00 H new ATOM 0 HA ASN A 55 6.662 0.169 -7.297 1.00 0.00 H new ATOM 0 HB2 ASN A 55 6.573 0.968 -9.693 1.00 0.00 H new ATOM 0 HB3 ASN A 55 5.781 2.431 -9.143 1.00 0.00 H new ATOM 0 HD21 ASN A 55 8.993 3.891 -9.079 1.00 0.00 H new ATOM 0 HD22 ASN A 55 7.401 3.827 -9.842 1.00 0.00 H new ATOM 872 N LEU A 56 4.473 2.504 -6.563 1.00 0.00 N ATOM 873 CA LEU A 56 4.032 3.441 -5.539 1.00 0.00 C ATOM 874 C LEU A 56 3.616 2.715 -4.260 1.00 0.00 C ATOM 875 O LEU A 56 3.838 3.210 -3.155 1.00 0.00 O ATOM 876 CB LEU A 56 2.855 4.268 -6.069 1.00 0.00 C ATOM 877 CG LEU A 56 3.206 5.269 -7.172 1.00 0.00 C ATOM 878 CD1 LEU A 56 1.950 5.942 -7.699 1.00 0.00 C ATOM 879 CD2 LEU A 56 4.189 6.308 -6.656 1.00 0.00 C ATOM 0 H LEU A 56 3.807 2.379 -7.326 1.00 0.00 H new ATOM 0 HA LEU A 56 4.868 4.098 -5.299 1.00 0.00 H new ATOM 0 HB2 LEU A 56 2.094 3.586 -6.448 1.00 0.00 H new ATOM 0 HB3 LEU A 56 2.409 4.811 -5.236 1.00 0.00 H new ATOM 0 HG LEU A 56 3.677 4.726 -7.992 1.00 0.00 H new ATOM 0 HD11 LEU A 56 2.218 6.651 -8.483 1.00 0.00 H new ATOM 0 HD12 LEU A 56 1.277 5.188 -8.107 1.00 0.00 H new ATOM 0 HD13 LEU A 56 1.452 6.471 -6.886 1.00 0.00 H new ATOM 0 HD21 LEU A 56 4.427 7.011 -7.454 1.00 0.00 H new ATOM 0 HD22 LEU A 56 3.744 6.846 -5.819 1.00 0.00 H new ATOM 0 HD23 LEU A 56 5.102 5.813 -6.325 1.00 0.00 H new ATOM 891 N SER A 57 3.026 1.539 -4.430 1.00 0.00 N ATOM 892 CA SER A 57 2.438 0.793 -3.326 1.00 0.00 C ATOM 893 C SER A 57 3.502 0.202 -2.403 1.00 0.00 C ATOM 894 O SER A 57 3.403 0.332 -1.183 1.00 0.00 O ATOM 895 CB SER A 57 1.543 -0.322 -3.875 1.00 0.00 C ATOM 896 OG SER A 57 0.791 -0.943 -2.850 1.00 0.00 O ATOM 0 H SER A 57 2.942 1.076 -5.335 1.00 0.00 H new ATOM 0 HA SER A 57 1.843 1.489 -2.735 1.00 0.00 H new ATOM 0 HB2 SER A 57 0.866 0.090 -4.624 1.00 0.00 H new ATOM 0 HB3 SER A 57 2.158 -1.068 -4.378 1.00 0.00 H new ATOM 0 HG SER A 57 0.360 -0.257 -2.299 1.00 0.00 H new ATOM 902 N ASP A 58 4.505 -0.451 -2.982 1.00 0.00 N ATOM 903 CA ASP A 58 5.555 -1.086 -2.187 1.00 0.00 C ATOM 904 C ASP A 58 6.479 -0.022 -1.605 1.00 0.00 C ATOM 905 O ASP A 58 7.221 0.645 -2.335 1.00 0.00 O ATOM 906 CB ASP A 58 6.357 -2.081 -3.041 1.00 0.00 C ATOM 907 CG ASP A 58 7.306 -2.953 -2.228 1.00 0.00 C ATOM 908 OD1 ASP A 58 7.573 -2.635 -1.052 1.00 0.00 O ATOM 909 OD2 ASP A 58 7.806 -3.964 -2.777 1.00 0.00 O ATOM 0 H ASP A 58 4.614 -0.555 -3.991 1.00 0.00 H new ATOM 0 HA ASP A 58 5.089 -1.638 -1.371 1.00 0.00 H new ATOM 0 HB2 ASP A 58 5.663 -2.722 -3.585 1.00 0.00 H new ATOM 0 HB3 ASP A 58 6.931 -1.529 -3.785 1.00 0.00 H new ATOM 914 N ILE A 59 6.420 0.141 -0.291 1.00 0.00 N ATOM 915 CA ILE A 59 7.194 1.168 0.389 1.00 0.00 C ATOM 916 C ILE A 59 8.627 0.699 0.602 1.00 0.00 C ATOM 917 O ILE A 59 9.579 1.476 0.469 1.00 0.00 O ATOM 918 CB ILE A 59 6.564 1.545 1.753 1.00 0.00 C ATOM 919 CG1 ILE A 59 5.107 1.994 1.565 1.00 0.00 C ATOM 920 CG2 ILE A 59 7.374 2.639 2.436 1.00 0.00 C ATOM 921 CD1 ILE A 59 4.944 3.200 0.661 1.00 0.00 C ATOM 0 H ILE A 59 5.841 -0.428 0.327 1.00 0.00 H new ATOM 0 HA ILE A 59 7.191 2.054 -0.246 1.00 0.00 H new ATOM 0 HB ILE A 59 6.575 0.662 2.391 1.00 0.00 H new ATOM 0 HG12 ILE A 59 4.532 1.164 1.153 1.00 0.00 H new ATOM 0 HG13 ILE A 59 4.680 2.224 2.541 1.00 0.00 H new ATOM 0 HG21 ILE A 59 6.914 2.889 3.392 1.00 0.00 H new ATOM 0 HG22 ILE A 59 8.392 2.287 2.604 1.00 0.00 H new ATOM 0 HG23 ILE A 59 7.396 3.525 1.802 1.00 0.00 H new ATOM 0 HD11 ILE A 59 3.887 3.454 0.580 1.00 0.00 H new ATOM 0 HD12 ILE A 59 5.489 4.046 1.081 1.00 0.00 H new ATOM 0 HD13 ILE A 59 5.339 2.969 -0.328 1.00 0.00 H new ATOM 933 N ASP A 60 8.780 -0.581 0.903 1.00 0.00 N ATOM 934 CA ASP A 60 10.096 -1.143 1.180 1.00 0.00 C ATOM 935 C ASP A 60 10.833 -1.415 -0.123 1.00 0.00 C ATOM 936 O ASP A 60 12.064 -1.353 -0.171 1.00 0.00 O ATOM 937 CB ASP A 60 9.978 -2.437 1.991 1.00 0.00 C ATOM 938 CG ASP A 60 11.322 -2.945 2.486 1.00 0.00 C ATOM 939 OD1 ASP A 60 11.742 -2.540 3.592 1.00 0.00 O ATOM 940 OD2 ASP A 60 11.965 -3.755 1.783 1.00 0.00 O ATOM 0 H ASP A 60 8.012 -1.250 0.962 1.00 0.00 H new ATOM 0 HA ASP A 60 10.659 -0.418 1.768 1.00 0.00 H new ATOM 0 HB2 ASP A 60 9.322 -2.267 2.845 1.00 0.00 H new ATOM 0 HB3 ASP A 60 9.508 -3.205 1.376 1.00 0.00 H new ATOM 945 N GLN A 61 10.063 -1.685 -1.174 1.00 0.00 N ATOM 946 CA GLN A 61 10.602 -2.035 -2.488 1.00 0.00 C ATOM 947 C GLN A 61 11.221 -3.425 -2.426 1.00 0.00 C ATOM 948 O GLN A 61 12.243 -3.710 -3.056 1.00 0.00 O ATOM 949 CB GLN A 61 11.614 -0.991 -2.975 1.00 0.00 C ATOM 950 CG GLN A 61 10.992 0.373 -3.227 1.00 0.00 C ATOM 951 CD GLN A 61 12.014 1.422 -3.620 1.00 0.00 C ATOM 952 OE1 GLN A 61 13.043 1.111 -4.219 1.00 0.00 O ATOM 953 NE2 GLN A 61 11.738 2.673 -3.284 1.00 0.00 N ATOM 0 H GLN A 61 9.044 -1.667 -1.139 1.00 0.00 H new ATOM 0 HA GLN A 61 9.788 -2.044 -3.213 1.00 0.00 H new ATOM 0 HB2 GLN A 61 12.407 -0.890 -2.234 1.00 0.00 H new ATOM 0 HB3 GLN A 61 12.079 -1.347 -3.894 1.00 0.00 H new ATOM 0 HG2 GLN A 61 10.245 0.286 -4.016 1.00 0.00 H new ATOM 0 HG3 GLN A 61 10.469 0.700 -2.328 1.00 0.00 H new ATOM 0 HE21 GLN A 61 10.873 2.889 -2.788 1.00 0.00 H new ATOM 0 HE22 GLN A 61 12.390 3.421 -3.522 1.00 0.00 H new ATOM 962 N ASP A 62 10.559 -4.291 -1.674 1.00 0.00 N ATOM 963 CA ASP A 62 11.023 -5.654 -1.447 1.00 0.00 C ATOM 964 C ASP A 62 10.462 -6.592 -2.511 1.00 0.00 C ATOM 965 O ASP A 62 11.114 -7.559 -2.915 1.00 0.00 O ATOM 966 CB ASP A 62 10.588 -6.120 -0.051 1.00 0.00 C ATOM 967 CG ASP A 62 11.056 -7.524 0.287 1.00 0.00 C ATOM 968 OD1 ASP A 62 10.361 -8.490 -0.073 1.00 0.00 O ATOM 969 OD2 ASP A 62 12.112 -7.666 0.940 1.00 0.00 O ATOM 0 H ASP A 62 9.682 -4.069 -1.202 1.00 0.00 H new ATOM 0 HA ASP A 62 12.111 -5.673 -1.510 1.00 0.00 H new ATOM 0 HB2 ASP A 62 10.977 -5.426 0.694 1.00 0.00 H new ATOM 0 HB3 ASP A 62 9.501 -6.081 0.015 1.00 0.00 H new ATOM 974 N GLY A 63 9.264 -6.278 -2.990 1.00 0.00 N ATOM 975 CA GLY A 63 8.600 -7.132 -3.955 1.00 0.00 C ATOM 976 C GLY A 63 7.416 -7.859 -3.354 1.00 0.00 C ATOM 977 O GLY A 63 7.046 -8.946 -3.803 1.00 0.00 O ATOM 0 H GLY A 63 8.740 -5.444 -2.726 1.00 0.00 H new ATOM 0 HA2 GLY A 63 8.265 -6.531 -4.800 1.00 0.00 H new ATOM 0 HA3 GLY A 63 9.312 -7.860 -4.344 1.00 0.00 H new ATOM 981 N LYS A 64 6.833 -7.253 -2.330 1.00 0.00 N ATOM 982 CA LYS A 64 5.669 -7.799 -1.642 1.00 0.00 C ATOM 983 C LYS A 64 4.729 -6.655 -1.300 1.00 0.00 C ATOM 984 O LYS A 64 5.012 -5.508 -1.636 1.00 0.00 O ATOM 985 CB LYS A 64 6.095 -8.527 -0.360 1.00 0.00 C ATOM 986 CG LYS A 64 7.034 -9.696 -0.606 1.00 0.00 C ATOM 987 CD LYS A 64 7.552 -10.287 0.691 1.00 0.00 C ATOM 988 CE LYS A 64 8.552 -11.404 0.434 1.00 0.00 C ATOM 989 NZ LYS A 64 9.676 -10.958 -0.435 1.00 0.00 N ATOM 0 H LYS A 64 7.155 -6.363 -1.950 1.00 0.00 H new ATOM 0 HA LYS A 64 5.166 -8.517 -2.290 1.00 0.00 H new ATOM 0 HB2 LYS A 64 6.582 -7.815 0.307 1.00 0.00 H new ATOM 0 HB3 LYS A 64 5.205 -8.889 0.155 1.00 0.00 H new ATOM 0 HG2 LYS A 64 6.513 -10.467 -1.174 1.00 0.00 H new ATOM 0 HG3 LYS A 64 7.875 -9.364 -1.215 1.00 0.00 H new ATOM 0 HD2 LYS A 64 8.024 -9.505 1.286 1.00 0.00 H new ATOM 0 HD3 LYS A 64 6.717 -10.672 1.276 1.00 0.00 H new ATOM 0 HE2 LYS A 64 8.948 -11.761 1.384 1.00 0.00 H new ATOM 0 HE3 LYS A 64 8.043 -12.246 -0.036 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 10.562 -11.393 -0.107 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 9.491 -11.247 -1.417 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 9.761 -9.922 -0.389 1.00 0.00 H new ATOM 1003 N LEU A 65 3.625 -6.960 -0.636 1.00 0.00 N ATOM 1004 CA LEU A 65 2.683 -5.931 -0.212 1.00 0.00 C ATOM 1005 C LEU A 65 2.072 -6.285 1.132 1.00 0.00 C ATOM 1006 O LEU A 65 1.391 -7.308 1.260 1.00 0.00 O ATOM 1007 CB LEU A 65 1.567 -5.741 -1.252 1.00 0.00 C ATOM 1008 CG LEU A 65 1.942 -4.901 -2.477 1.00 0.00 C ATOM 1009 CD1 LEU A 65 0.726 -4.664 -3.357 1.00 0.00 C ATOM 1010 CD2 LEU A 65 2.548 -3.574 -2.050 1.00 0.00 C ATOM 0 H LEU A 65 3.358 -7.910 -0.378 1.00 0.00 H new ATOM 0 HA LEU A 65 3.236 -4.996 -0.118 1.00 0.00 H new ATOM 0 HB2 LEU A 65 1.241 -6.724 -1.593 1.00 0.00 H new ATOM 0 HB3 LEU A 65 0.713 -5.275 -0.761 1.00 0.00 H new ATOM 0 HG LEU A 65 2.685 -5.453 -3.053 1.00 0.00 H new ATOM 0 HD11 LEU A 65 1.014 -4.066 -4.221 1.00 0.00 H new ATOM 0 HD12 LEU A 65 0.329 -5.621 -3.694 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -0.038 -4.135 -2.787 1.00 0.00 H new ATOM 0 HD21 LEU A 65 2.808 -2.991 -2.934 1.00 0.00 H new ATOM 0 HD22 LEU A 65 1.826 -3.020 -1.450 1.00 0.00 H new ATOM 0 HD23 LEU A 65 3.446 -3.757 -1.459 1.00 0.00 H new ATOM 1022 N THR A 66 2.327 -5.456 2.135 1.00 0.00 N ATOM 1023 CA THR A 66 1.678 -5.620 3.424 1.00 0.00 C ATOM 1024 C THR A 66 0.216 -5.215 3.309 1.00 0.00 C ATOM 1025 O THR A 66 -0.217 -4.722 2.264 1.00 0.00 O ATOM 1026 CB THR A 66 2.349 -4.775 4.527 1.00 0.00 C ATOM 1027 OG1 THR A 66 2.303 -3.392 4.173 1.00 0.00 O ATOM 1028 CG2 THR A 66 3.795 -5.196 4.750 1.00 0.00 C ATOM 0 H THR A 66 2.974 -4.669 2.080 1.00 0.00 H new ATOM 0 HA THR A 66 1.768 -6.669 3.705 1.00 0.00 H new ATOM 0 HB THR A 66 1.800 -4.939 5.455 1.00 0.00 H new ATOM 0 HG1 THR A 66 2.740 -2.861 4.871 1.00 0.00 H new ATOM 0 HG21 THR A 66 4.237 -4.580 5.533 1.00 0.00 H new ATOM 0 HG22 THR A 66 3.827 -6.243 5.051 1.00 0.00 H new ATOM 0 HG23 THR A 66 4.358 -5.067 3.826 1.00 0.00 H new ATOM 1036 N ALA A 67 -0.538 -5.422 4.374 1.00 0.00 N ATOM 1037 CA ALA A 67 -1.939 -5.051 4.386 1.00 0.00 C ATOM 1038 C ALA A 67 -2.119 -3.581 4.025 1.00 0.00 C ATOM 1039 O ALA A 67 -2.838 -3.241 3.087 1.00 0.00 O ATOM 1040 CB ALA A 67 -2.547 -5.340 5.749 1.00 0.00 C ATOM 0 H ALA A 67 -0.203 -5.844 5.240 1.00 0.00 H new ATOM 0 HA ALA A 67 -2.456 -5.648 3.635 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -3.600 -5.057 5.745 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -2.458 -6.404 5.969 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -2.020 -4.767 6.512 1.00 0.00 H new ATOM 1046 N GLU A 68 -1.419 -2.719 4.741 1.00 0.00 N ATOM 1047 CA GLU A 68 -1.580 -1.283 4.579 1.00 0.00 C ATOM 1048 C GLU A 68 -1.078 -0.799 3.217 1.00 0.00 C ATOM 1049 O GLU A 68 -1.598 0.176 2.674 1.00 0.00 O ATOM 1050 CB GLU A 68 -0.879 -0.553 5.724 1.00 0.00 C ATOM 1051 CG GLU A 68 -1.401 -0.977 7.089 1.00 0.00 C ATOM 1052 CD GLU A 68 -0.791 -0.206 8.239 1.00 0.00 C ATOM 1053 OE1 GLU A 68 0.406 -0.398 8.519 1.00 0.00 O ATOM 1054 OE2 GLU A 68 -1.520 0.581 8.885 1.00 0.00 O ATOM 0 H GLU A 68 -0.730 -2.989 5.443 1.00 0.00 H new ATOM 0 HA GLU A 68 -2.645 -1.053 4.614 1.00 0.00 H new ATOM 0 HB2 GLU A 68 0.193 -0.746 5.672 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -1.016 0.522 5.604 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -2.483 -0.849 7.110 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -1.203 -2.040 7.230 1.00 0.00 H new ATOM 1061 N GLU A 69 -0.097 -1.488 2.646 1.00 0.00 N ATOM 1062 CA GLU A 69 0.415 -1.109 1.334 1.00 0.00 C ATOM 1063 C GLU A 69 -0.590 -1.485 0.252 1.00 0.00 C ATOM 1064 O GLU A 69 -0.862 -0.702 -0.656 1.00 0.00 O ATOM 1065 CB GLU A 69 1.763 -1.772 1.072 1.00 0.00 C ATOM 1066 CG GLU A 69 2.870 -1.265 1.980 1.00 0.00 C ATOM 1067 CD GLU A 69 4.134 -2.088 1.866 1.00 0.00 C ATOM 1068 OE1 GLU A 69 4.083 -3.290 2.204 1.00 0.00 O ATOM 1069 OE2 GLU A 69 5.174 -1.539 1.457 1.00 0.00 O ATOM 0 H GLU A 69 0.355 -2.301 3.064 1.00 0.00 H new ATOM 0 HA GLU A 69 0.560 -0.029 1.314 1.00 0.00 H new ATOM 0 HB2 GLU A 69 1.661 -2.849 1.202 1.00 0.00 H new ATOM 0 HB3 GLU A 69 2.048 -1.602 0.034 1.00 0.00 H new ATOM 0 HG2 GLU A 69 3.092 -0.227 1.732 1.00 0.00 H new ATOM 0 HG3 GLU A 69 2.523 -1.279 3.013 1.00 0.00 H new ATOM 1076 N PHE A 70 -1.155 -2.677 0.378 1.00 0.00 N ATOM 1077 CA PHE A 70 -2.185 -3.152 -0.539 1.00 0.00 C ATOM 1078 C PHE A 70 -3.425 -2.240 -0.439 1.00 0.00 C ATOM 1079 O PHE A 70 -4.100 -1.991 -1.436 1.00 0.00 O ATOM 1080 CB PHE A 70 -2.499 -4.623 -0.202 1.00 0.00 C ATOM 1081 CG PHE A 70 -3.390 -5.390 -1.164 1.00 0.00 C ATOM 1082 CD1 PHE A 70 -4.199 -4.758 -2.098 1.00 0.00 C ATOM 1083 CD2 PHE A 70 -3.442 -6.774 -1.084 1.00 0.00 C ATOM 1084 CE1 PHE A 70 -5.033 -5.488 -2.927 1.00 0.00 C ATOM 1085 CE2 PHE A 70 -4.280 -7.507 -1.901 1.00 0.00 C ATOM 1086 CZ PHE A 70 -5.077 -6.865 -2.823 1.00 0.00 C ATOM 0 H PHE A 70 -0.915 -3.341 1.115 1.00 0.00 H new ATOM 0 HA PHE A 70 -1.843 -3.110 -1.573 1.00 0.00 H new ATOM 0 HB2 PHE A 70 -1.553 -5.158 -0.121 1.00 0.00 H new ATOM 0 HB3 PHE A 70 -2.966 -4.650 0.783 1.00 0.00 H new ATOM 0 HD1 PHE A 70 -4.177 -3.681 -2.179 1.00 0.00 H new ATOM 0 HD2 PHE A 70 -2.816 -7.288 -0.370 1.00 0.00 H new ATOM 0 HE1 PHE A 70 -5.649 -4.981 -3.655 1.00 0.00 H new ATOM 0 HE2 PHE A 70 -4.310 -8.583 -1.817 1.00 0.00 H new ATOM 0 HZ PHE A 70 -5.734 -7.436 -3.462 1.00 0.00 H new ATOM 1096 N ILE A 71 -3.700 -1.710 0.761 1.00 0.00 N ATOM 1097 CA ILE A 71 -4.765 -0.712 0.929 1.00 0.00 C ATOM 1098 C ILE A 71 -4.503 0.491 0.025 1.00 0.00 C ATOM 1099 O ILE A 71 -5.395 0.960 -0.686 1.00 0.00 O ATOM 1100 CB ILE A 71 -4.881 -0.197 2.383 1.00 0.00 C ATOM 1101 CG1 ILE A 71 -5.166 -1.340 3.352 1.00 0.00 C ATOM 1102 CG2 ILE A 71 -5.972 0.862 2.486 1.00 0.00 C ATOM 1103 CD1 ILE A 71 -5.278 -0.908 4.800 1.00 0.00 C ATOM 0 H ILE A 71 -3.206 -1.952 1.620 1.00 0.00 H new ATOM 0 HA ILE A 71 -5.696 -1.212 0.664 1.00 0.00 H new ATOM 0 HB ILE A 71 -3.925 0.250 2.657 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -6.094 -1.830 3.057 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -4.372 -2.082 3.265 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -6.041 1.214 3.515 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -5.729 1.699 1.831 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -6.927 0.431 2.185 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -5.481 -1.778 5.425 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -4.343 -0.446 5.115 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -6.091 -0.189 4.903 1.00 0.00 H new ATOM 1115 N LEU A 72 -3.265 0.980 0.064 1.00 0.00 N ATOM 1116 CA LEU A 72 -2.851 2.102 -0.765 1.00 0.00 C ATOM 1117 C LEU A 72 -3.036 1.763 -2.239 1.00 0.00 C ATOM 1118 O LEU A 72 -3.546 2.574 -3.014 1.00 0.00 O ATOM 1119 CB LEU A 72 -1.388 2.449 -0.482 1.00 0.00 C ATOM 1120 CG LEU A 72 -0.804 3.583 -1.326 1.00 0.00 C ATOM 1121 CD1 LEU A 72 -1.522 4.895 -1.044 1.00 0.00 C ATOM 1122 CD2 LEU A 72 0.687 3.717 -1.060 1.00 0.00 C ATOM 0 H LEU A 72 -2.529 0.611 0.666 1.00 0.00 H new ATOM 0 HA LEU A 72 -3.471 2.966 -0.525 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -1.294 2.717 0.570 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -0.784 1.555 -0.639 1.00 0.00 H new ATOM 0 HG LEU A 72 -0.951 3.342 -2.379 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -1.089 5.686 -1.656 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -2.580 4.789 -1.283 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -1.412 5.151 0.010 1.00 0.00 H new ATOM 0 HD21 LEU A 72 1.093 4.527 -1.666 1.00 0.00 H new ATOM 0 HD22 LEU A 72 0.850 3.936 -0.005 1.00 0.00 H new ATOM 0 HD23 LEU A 72 1.188 2.784 -1.319 1.00 0.00 H new ATOM 1134 N ALA A 73 -2.635 0.552 -2.611 1.00 0.00 N ATOM 1135 CA ALA A 73 -2.812 0.064 -3.971 1.00 0.00 C ATOM 1136 C ALA A 73 -4.285 0.086 -4.362 1.00 0.00 C ATOM 1137 O ALA A 73 -4.640 0.600 -5.417 1.00 0.00 O ATOM 1138 CB ALA A 73 -2.250 -1.342 -4.114 1.00 0.00 C ATOM 0 H ALA A 73 -2.182 -0.113 -1.984 1.00 0.00 H new ATOM 0 HA ALA A 73 -2.265 0.726 -4.643 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -2.392 -1.688 -5.138 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -1.186 -1.334 -3.878 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -2.769 -2.013 -3.429 1.00 0.00 H new ATOM 1144 N MET A 74 -5.136 -0.457 -3.494 1.00 0.00 N ATOM 1145 CA MET A 74 -6.580 -0.477 -3.733 1.00 0.00 C ATOM 1146 C MET A 74 -7.120 0.935 -3.917 1.00 0.00 C ATOM 1147 O MET A 74 -7.982 1.176 -4.763 1.00 0.00 O ATOM 1148 CB MET A 74 -7.318 -1.155 -2.571 1.00 0.00 C ATOM 1149 CG MET A 74 -7.111 -2.660 -2.478 1.00 0.00 C ATOM 1150 SD MET A 74 -8.262 -3.612 -3.498 1.00 0.00 S ATOM 1151 CE MET A 74 -7.680 -3.265 -5.156 1.00 0.00 C ATOM 0 H MET A 74 -4.851 -0.891 -2.616 1.00 0.00 H new ATOM 0 HA MET A 74 -6.752 -1.047 -4.646 1.00 0.00 H new ATOM 0 HB2 MET A 74 -6.993 -0.699 -1.636 1.00 0.00 H new ATOM 0 HB3 MET A 74 -8.385 -0.954 -2.669 1.00 0.00 H new ATOM 0 HG2 MET A 74 -6.090 -2.897 -2.778 1.00 0.00 H new ATOM 0 HG3 MET A 74 -7.218 -2.970 -1.438 1.00 0.00 H new ATOM 0 HE1 MET A 74 -7.985 -4.070 -5.825 1.00 0.00 H new ATOM 0 HE2 MET A 74 -8.108 -2.324 -5.502 1.00 0.00 H new ATOM 0 HE3 MET A 74 -6.593 -3.189 -5.151 1.00 0.00 H new ATOM 1161 N HIS A 75 -6.600 1.865 -3.124 1.00 0.00 N ATOM 1162 CA HIS A 75 -7.019 3.260 -3.199 1.00 0.00 C ATOM 1163 C HIS A 75 -6.625 3.860 -4.544 1.00 0.00 C ATOM 1164 O HIS A 75 -7.399 4.588 -5.159 1.00 0.00 O ATOM 1165 CB HIS A 75 -6.402 4.063 -2.046 1.00 0.00 C ATOM 1166 CG HIS A 75 -6.913 5.469 -1.937 1.00 0.00 C ATOM 1167 ND1 HIS A 75 -8.248 5.775 -1.808 1.00 0.00 N ATOM 1168 CD2 HIS A 75 -6.257 6.652 -1.922 1.00 0.00 C ATOM 1169 CE1 HIS A 75 -8.390 7.082 -1.715 1.00 0.00 C ATOM 1170 NE2 HIS A 75 -7.199 7.642 -1.784 1.00 0.00 N ATOM 0 H HIS A 75 -5.886 1.678 -2.420 1.00 0.00 H new ATOM 0 HA HIS A 75 -8.104 3.305 -3.108 1.00 0.00 H new ATOM 0 HB2 HIS A 75 -6.599 3.543 -1.109 1.00 0.00 H new ATOM 0 HB3 HIS A 75 -5.320 4.090 -2.174 1.00 0.00 H new ATOM 0 HD1 HIS A 75 -9.009 5.096 -1.788 1.00 0.00 H new ATOM 0 HD2 HIS A 75 -5.189 6.792 -2.004 1.00 0.00 H new ATOM 0 HE1 HIS A 75 -9.327 7.607 -1.601 1.00 0.00 H new ATOM 1179 N LEU A 76 -5.421 3.536 -5.003 1.00 0.00 N ATOM 1180 CA LEU A 76 -4.948 4.003 -6.301 1.00 0.00 C ATOM 1181 C LEU A 76 -5.726 3.328 -7.430 1.00 0.00 C ATOM 1182 O LEU A 76 -6.045 3.961 -8.439 1.00 0.00 O ATOM 1183 CB LEU A 76 -3.446 3.730 -6.452 1.00 0.00 C ATOM 1184 CG LEU A 76 -2.548 4.386 -5.396 1.00 0.00 C ATOM 1185 CD1 LEU A 76 -1.095 3.973 -5.596 1.00 0.00 C ATOM 1186 CD2 LEU A 76 -2.683 5.903 -5.442 1.00 0.00 C ATOM 0 H LEU A 76 -4.755 2.952 -4.496 1.00 0.00 H new ATOM 0 HA LEU A 76 -5.115 5.078 -6.362 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -3.285 2.652 -6.422 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -3.129 4.072 -7.437 1.00 0.00 H new ATOM 0 HG LEU A 76 -2.871 4.043 -4.413 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -0.474 4.449 -4.837 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -1.009 2.890 -5.508 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -0.761 4.285 -6.586 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -2.038 6.349 -4.685 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -2.390 6.265 -6.428 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -3.718 6.182 -5.246 1.00 0.00 H new ATOM 1198 N ILE A 77 -6.033 2.043 -7.246 1.00 0.00 N ATOM 1199 CA ILE A 77 -6.834 1.289 -8.208 1.00 0.00 C ATOM 1200 C ILE A 77 -8.195 1.944 -8.405 1.00 0.00 C ATOM 1201 O ILE A 77 -8.640 2.135 -9.535 1.00 0.00 O ATOM 1202 CB ILE A 77 -7.035 -0.182 -7.751 1.00 0.00 C ATOM 1203 CG1 ILE A 77 -5.706 -0.945 -7.778 1.00 0.00 C ATOM 1204 CG2 ILE A 77 -8.070 -0.893 -8.613 1.00 0.00 C ATOM 1205 CD1 ILE A 77 -5.073 -1.024 -9.150 1.00 0.00 C ATOM 0 H ILE A 77 -5.736 1.501 -6.434 1.00 0.00 H new ATOM 0 HA ILE A 77 -6.289 1.290 -9.152 1.00 0.00 H new ATOM 0 HB ILE A 77 -7.405 -0.161 -6.726 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -5.008 -0.463 -7.094 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -5.871 -1.956 -7.406 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -8.188 -1.920 -8.268 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -9.025 -0.373 -8.538 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -7.739 -0.895 -9.652 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -4.137 -1.579 -9.087 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -5.751 -1.533 -9.835 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -4.874 -0.017 -9.518 1.00 0.00 H new ATOM 1217 N ASP A 78 -8.840 2.304 -7.304 1.00 0.00 N ATOM 1218 CA ASP A 78 -10.169 2.898 -7.357 1.00 0.00 C ATOM 1219 C ASP A 78 -10.132 4.230 -8.098 1.00 0.00 C ATOM 1220 O ASP A 78 -11.001 4.520 -8.924 1.00 0.00 O ATOM 1221 CB ASP A 78 -10.717 3.099 -5.945 1.00 0.00 C ATOM 1222 CG ASP A 78 -12.210 3.356 -5.928 1.00 0.00 C ATOM 1223 OD1 ASP A 78 -12.981 2.370 -5.920 1.00 0.00 O ATOM 1224 OD2 ASP A 78 -12.622 4.534 -5.897 1.00 0.00 O ATOM 0 H ASP A 78 -8.464 2.195 -6.362 1.00 0.00 H new ATOM 0 HA ASP A 78 -10.827 2.218 -7.897 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -10.498 2.215 -5.346 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -10.203 3.938 -5.476 1.00 0.00 H new ATOM 1229 N VAL A 79 -9.109 5.031 -7.805 1.00 0.00 N ATOM 1230 CA VAL A 79 -8.920 6.315 -8.467 1.00 0.00 C ATOM 1231 C VAL A 79 -8.711 6.127 -9.970 1.00 0.00 C ATOM 1232 O VAL A 79 -9.368 6.781 -10.786 1.00 0.00 O ATOM 1233 CB VAL A 79 -7.713 7.073 -7.867 1.00 0.00 C ATOM 1234 CG1 VAL A 79 -7.417 8.346 -8.642 1.00 0.00 C ATOM 1235 CG2 VAL A 79 -7.957 7.388 -6.399 1.00 0.00 C ATOM 0 H VAL A 79 -8.396 4.809 -7.110 1.00 0.00 H new ATOM 0 HA VAL A 79 -9.823 6.904 -8.306 1.00 0.00 H new ATOM 0 HB VAL A 79 -6.841 6.424 -7.945 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -6.563 8.854 -8.194 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -7.188 8.096 -9.678 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -8.287 9.002 -8.611 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -7.097 7.921 -5.994 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -8.848 8.009 -6.303 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -8.101 6.459 -5.847 1.00 0.00 H new ATOM 1245 N ALA A 80 -7.810 5.216 -10.329 1.00 0.00 N ATOM 1246 CA ALA A 80 -7.515 4.938 -11.733 1.00 0.00 C ATOM 1247 C ALA A 80 -8.736 4.371 -12.454 1.00 0.00 C ATOM 1248 O ALA A 80 -9.015 4.736 -13.595 1.00 0.00 O ATOM 1249 CB ALA A 80 -6.337 3.981 -11.850 1.00 0.00 C ATOM 0 H ALA A 80 -7.271 4.657 -9.667 1.00 0.00 H new ATOM 0 HA ALA A 80 -7.250 5.880 -12.212 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -6.131 3.785 -12.902 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -5.458 4.427 -11.385 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -6.578 3.045 -11.347 1.00 0.00 H new ATOM 1255 N MET A 81 -9.457 3.478 -11.777 1.00 0.00 N ATOM 1256 CA MET A 81 -10.671 2.881 -12.308 1.00 0.00 C ATOM 1257 C MET A 81 -11.723 3.949 -12.601 1.00 0.00 C ATOM 1258 O MET A 81 -12.465 3.851 -13.578 1.00 0.00 O ATOM 1259 CB MET A 81 -11.206 1.889 -11.285 1.00 0.00 C ATOM 1260 CG MET A 81 -11.704 0.596 -11.882 1.00 0.00 C ATOM 1261 SD MET A 81 -13.288 0.767 -12.722 1.00 0.00 S ATOM 1262 CE MET A 81 -13.544 -0.911 -13.288 1.00 0.00 C ATOM 0 H MET A 81 -9.211 3.151 -10.843 1.00 0.00 H new ATOM 0 HA MET A 81 -10.444 2.373 -13.245 1.00 0.00 H new ATOM 0 HB2 MET A 81 -10.418 1.665 -10.566 1.00 0.00 H new ATOM 0 HB3 MET A 81 -12.019 2.358 -10.731 1.00 0.00 H new ATOM 0 HG2 MET A 81 -10.964 0.221 -12.589 1.00 0.00 H new ATOM 0 HG3 MET A 81 -11.797 -0.149 -11.092 1.00 0.00 H new ATOM 0 HE1 MET A 81 -14.488 -0.972 -13.830 1.00 0.00 H new ATOM 0 HE2 MET A 81 -12.727 -1.201 -13.949 1.00 0.00 H new ATOM 0 HE3 MET A 81 -13.573 -1.584 -12.431 1.00 0.00 H new ATOM 1272 N SER A 82 -11.771 4.973 -11.755 1.00 0.00 N ATOM 1273 CA SER A 82 -12.740 6.052 -11.910 1.00 0.00 C ATOM 1274 C SER A 82 -12.371 6.948 -13.090 1.00 0.00 C ATOM 1275 O SER A 82 -13.213 7.677 -13.613 1.00 0.00 O ATOM 1276 CB SER A 82 -12.827 6.876 -10.618 1.00 0.00 C ATOM 1277 OG SER A 82 -13.874 7.833 -10.678 1.00 0.00 O ATOM 0 H SER A 82 -11.149 5.078 -10.954 1.00 0.00 H new ATOM 0 HA SER A 82 -13.716 5.611 -12.111 1.00 0.00 H new ATOM 0 HB2 SER A 82 -12.991 6.210 -9.771 1.00 0.00 H new ATOM 0 HB3 SER A 82 -11.878 7.384 -10.445 1.00 0.00 H new ATOM 0 HG SER A 82 -13.903 8.339 -9.840 1.00 0.00 H new ATOM 1283 N GLY A 83 -11.119 6.873 -13.519 1.00 0.00 N ATOM 1284 CA GLY A 83 -10.670 7.696 -14.619 1.00 0.00 C ATOM 1285 C GLY A 83 -10.006 8.971 -14.147 1.00 0.00 C ATOM 1286 O GLY A 83 -10.036 9.991 -14.838 1.00 0.00 O ATOM 0 H GLY A 83 -10.408 6.257 -13.124 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -9.969 7.129 -15.232 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -11.520 7.945 -15.254 1.00 0.00 H new ATOM 1290 N GLN A 84 -9.424 8.916 -12.960 1.00 0.00 N ATOM 1291 CA GLN A 84 -8.730 10.056 -12.396 1.00 0.00 C ATOM 1292 C GLN A 84 -7.221 9.871 -12.521 1.00 0.00 C ATOM 1293 O GLN A 84 -6.715 8.750 -12.415 1.00 0.00 O ATOM 1294 CB GLN A 84 -9.127 10.228 -10.932 1.00 0.00 C ATOM 1295 CG GLN A 84 -10.600 10.546 -10.732 1.00 0.00 C ATOM 1296 CD GLN A 84 -10.982 10.694 -9.270 1.00 0.00 C ATOM 1297 OE1 GLN A 84 -10.169 11.095 -8.433 1.00 0.00 O ATOM 1298 NE2 GLN A 84 -12.230 10.387 -8.955 1.00 0.00 N ATOM 0 H GLN A 84 -9.420 8.086 -12.367 1.00 0.00 H new ATOM 0 HA GLN A 84 -9.012 10.953 -12.946 1.00 0.00 H new ATOM 0 HB2 GLN A 84 -8.885 9.314 -10.389 1.00 0.00 H new ATOM 0 HB3 GLN A 84 -8.529 11.027 -10.494 1.00 0.00 H new ATOM 0 HG2 GLN A 84 -10.842 11.468 -11.260 1.00 0.00 H new ATOM 0 HG3 GLN A 84 -11.201 9.755 -11.181 1.00 0.00 H new ATOM 0 HE21 GLN A 84 -12.872 10.059 -9.676 1.00 0.00 H new ATOM 0 HE22 GLN A 84 -12.550 10.479 -7.991 1.00 0.00 H new ATOM 1307 N PRO A 85 -6.484 10.968 -12.759 1.00 0.00 N ATOM 1308 CA PRO A 85 -5.031 10.928 -12.947 1.00 0.00 C ATOM 1309 C PRO A 85 -4.272 10.587 -11.666 1.00 0.00 C ATOM 1310 O PRO A 85 -4.714 10.900 -10.558 1.00 0.00 O ATOM 1311 CB PRO A 85 -4.681 12.352 -13.408 1.00 0.00 C ATOM 1312 CG PRO A 85 -5.984 12.993 -13.757 1.00 0.00 C ATOM 1313 CD PRO A 85 -7.006 12.337 -12.879 1.00 0.00 C ATOM 0 HA PRO A 85 -4.747 10.151 -13.657 1.00 0.00 H new ATOM 0 HB2 PRO A 85 -4.171 12.905 -12.619 1.00 0.00 H new ATOM 0 HB3 PRO A 85 -4.011 12.332 -14.268 1.00 0.00 H new ATOM 0 HG2 PRO A 85 -5.950 14.068 -13.583 1.00 0.00 H new ATOM 0 HG3 PRO A 85 -6.222 12.848 -14.811 1.00 0.00 H new ATOM 0 HD2 PRO A 85 -7.085 12.829 -11.909 1.00 0.00 H new ATOM 0 HD3 PRO A 85 -7.999 12.356 -13.327 1.00 0.00 H new ATOM 1321 N LEU A 86 -3.125 9.943 -11.831 1.00 0.00 N ATOM 1322 CA LEU A 86 -2.268 9.594 -10.708 1.00 0.00 C ATOM 1323 C LEU A 86 -1.086 10.556 -10.640 1.00 0.00 C ATOM 1324 O LEU A 86 -0.618 11.043 -11.671 1.00 0.00 O ATOM 1325 CB LEU A 86 -1.763 8.153 -10.854 1.00 0.00 C ATOM 1326 CG LEU A 86 -2.852 7.075 -10.891 1.00 0.00 C ATOM 1327 CD1 LEU A 86 -2.238 5.707 -11.139 1.00 0.00 C ATOM 1328 CD2 LEU A 86 -3.646 7.066 -9.593 1.00 0.00 C ATOM 0 H LEU A 86 -2.765 9.650 -12.739 1.00 0.00 H new ATOM 0 HA LEU A 86 -2.845 9.671 -9.787 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -1.175 8.083 -11.769 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -1.089 7.936 -10.025 1.00 0.00 H new ATOM 0 HG LEU A 86 -3.532 7.308 -11.710 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -3.025 4.954 -11.162 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -1.712 5.712 -12.094 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -1.535 5.473 -10.339 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -4.413 6.293 -9.641 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -2.976 6.860 -8.758 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -4.118 8.038 -9.449 1.00 0.00 H new ATOM 1340 N PRO A 87 -0.602 10.862 -9.429 1.00 0.00 N ATOM 1341 CA PRO A 87 0.544 11.751 -9.244 1.00 0.00 C ATOM 1342 C PRO A 87 1.874 11.052 -9.532 1.00 0.00 C ATOM 1343 O PRO A 87 1.979 9.827 -9.431 1.00 0.00 O ATOM 1344 CB PRO A 87 0.448 12.133 -7.768 1.00 0.00 C ATOM 1345 CG PRO A 87 -0.211 10.966 -7.116 1.00 0.00 C ATOM 1346 CD PRO A 87 -1.142 10.375 -8.143 1.00 0.00 C ATOM 0 HA PRO A 87 0.520 12.602 -9.924 1.00 0.00 H new ATOM 0 HB2 PRO A 87 1.434 12.319 -7.342 1.00 0.00 H new ATOM 0 HB3 PRO A 87 -0.135 13.044 -7.632 1.00 0.00 H new ATOM 0 HG2 PRO A 87 0.528 10.232 -6.794 1.00 0.00 H new ATOM 0 HG3 PRO A 87 -0.760 11.277 -6.227 1.00 0.00 H new ATOM 0 HD2 PRO A 87 -1.148 9.286 -8.098 1.00 0.00 H new ATOM 0 HD3 PRO A 87 -2.169 10.706 -7.989 1.00 0.00 H new ATOM 1354 N PRO A 88 2.906 11.825 -9.912 1.00 0.00 N ATOM 1355 CA PRO A 88 4.247 11.285 -10.145 1.00 0.00 C ATOM 1356 C PRO A 88 4.938 10.903 -8.839 1.00 0.00 C ATOM 1357 O PRO A 88 5.795 10.018 -8.806 1.00 0.00 O ATOM 1358 CB PRO A 88 4.982 12.437 -10.829 1.00 0.00 C ATOM 1359 CG PRO A 88 4.275 13.669 -10.379 1.00 0.00 C ATOM 1360 CD PRO A 88 2.838 13.278 -10.167 1.00 0.00 C ATOM 0 HA PRO A 88 4.228 10.371 -10.739 1.00 0.00 H new ATOM 0 HB2 PRO A 88 6.034 12.459 -10.543 1.00 0.00 H new ATOM 0 HB3 PRO A 88 4.949 12.337 -11.914 1.00 0.00 H new ATOM 0 HG2 PRO A 88 4.713 14.054 -9.458 1.00 0.00 H new ATOM 0 HG3 PRO A 88 4.357 14.459 -11.126 1.00 0.00 H new ATOM 0 HD2 PRO A 88 2.397 13.812 -9.325 1.00 0.00 H new ATOM 0 HD3 PRO A 88 2.228 13.503 -11.042 1.00 0.00 H new ATOM 1368 N VAL A 89 4.553 11.582 -7.769 1.00 0.00 N ATOM 1369 CA VAL A 89 5.078 11.309 -6.443 1.00 0.00 C ATOM 1370 C VAL A 89 3.929 11.212 -5.450 1.00 0.00 C ATOM 1371 O VAL A 89 2.898 11.865 -5.621 1.00 0.00 O ATOM 1372 CB VAL A 89 6.074 12.397 -5.975 1.00 0.00 C ATOM 1373 CG1 VAL A 89 7.372 12.324 -6.775 1.00 0.00 C ATOM 1374 CG2 VAL A 89 5.448 13.784 -6.081 1.00 0.00 C ATOM 0 H VAL A 89 3.868 12.337 -7.797 1.00 0.00 H new ATOM 0 HA VAL A 89 5.618 10.364 -6.491 1.00 0.00 H new ATOM 0 HB VAL A 89 6.312 12.212 -4.928 1.00 0.00 H new ATOM 0 HG11 VAL A 89 8.057 13.098 -6.429 1.00 0.00 H new ATOM 0 HG12 VAL A 89 7.831 11.345 -6.636 1.00 0.00 H new ATOM 0 HG13 VAL A 89 7.157 12.477 -7.833 1.00 0.00 H new ATOM 0 HG21 VAL A 89 6.165 14.534 -5.747 1.00 0.00 H new ATOM 0 HG22 VAL A 89 5.173 13.981 -7.117 1.00 0.00 H new ATOM 0 HG23 VAL A 89 4.557 13.830 -5.455 1.00 0.00 H new ATOM 1384 N LEU A 90 4.089 10.382 -4.433 1.00 0.00 N ATOM 1385 CA LEU A 90 3.047 10.215 -3.433 1.00 0.00 C ATOM 1386 C LEU A 90 3.284 11.179 -2.269 1.00 0.00 C ATOM 1387 O LEU A 90 4.430 11.414 -1.878 1.00 0.00 O ATOM 1388 CB LEU A 90 3.043 8.767 -2.924 1.00 0.00 C ATOM 1389 CG LEU A 90 1.807 8.345 -2.126 1.00 0.00 C ATOM 1390 CD1 LEU A 90 0.599 8.205 -3.042 1.00 0.00 C ATOM 1391 CD2 LEU A 90 2.073 7.044 -1.379 1.00 0.00 C ATOM 0 H LEU A 90 4.924 9.817 -4.278 1.00 0.00 H new ATOM 0 HA LEU A 90 2.079 10.436 -3.884 1.00 0.00 H new ATOM 0 HB2 LEU A 90 3.144 8.100 -3.780 1.00 0.00 H new ATOM 0 HB3 LEU A 90 3.924 8.619 -2.299 1.00 0.00 H new ATOM 0 HG LEU A 90 1.588 9.121 -1.393 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -0.269 7.904 -2.456 1.00 0.00 H new ATOM 0 HD12 LEU A 90 0.397 9.160 -3.526 1.00 0.00 H new ATOM 0 HD13 LEU A 90 0.803 7.450 -3.801 1.00 0.00 H new ATOM 0 HD21 LEU A 90 1.184 6.759 -0.817 1.00 0.00 H new ATOM 0 HD22 LEU A 90 2.318 6.258 -2.093 1.00 0.00 H new ATOM 0 HD23 LEU A 90 2.907 7.183 -0.692 1.00 0.00 H new ATOM 1403 N PRO A 91 2.209 11.759 -1.710 1.00 0.00 N ATOM 1404 CA PRO A 91 2.298 12.619 -0.532 1.00 0.00 C ATOM 1405 C PRO A 91 2.476 11.809 0.748 1.00 0.00 C ATOM 1406 O PRO A 91 2.040 10.659 0.826 1.00 0.00 O ATOM 1407 CB PRO A 91 0.949 13.362 -0.514 1.00 0.00 C ATOM 1408 CG PRO A 91 0.263 12.995 -1.791 1.00 0.00 C ATOM 1409 CD PRO A 91 0.831 11.670 -2.201 1.00 0.00 C ATOM 0 HA PRO A 91 3.158 13.287 -0.579 1.00 0.00 H new ATOM 0 HB2 PRO A 91 0.352 13.067 0.349 1.00 0.00 H new ATOM 0 HB3 PRO A 91 1.097 14.440 -0.446 1.00 0.00 H new ATOM 0 HG2 PRO A 91 -0.816 12.930 -1.649 1.00 0.00 H new ATOM 0 HG3 PRO A 91 0.439 13.749 -2.559 1.00 0.00 H new ATOM 0 HD2 PRO A 91 0.291 10.838 -1.749 1.00 0.00 H new ATOM 0 HD3 PRO A 91 0.792 11.527 -3.281 1.00 0.00 H new ATOM 1417 N PRO A 92 3.097 12.406 1.776 1.00 0.00 N ATOM 1418 CA PRO A 92 3.362 11.727 3.050 1.00 0.00 C ATOM 1419 C PRO A 92 2.081 11.258 3.740 1.00 0.00 C ATOM 1420 O PRO A 92 2.064 10.215 4.392 1.00 0.00 O ATOM 1421 CB PRO A 92 4.061 12.798 3.896 1.00 0.00 C ATOM 1422 CG PRO A 92 4.589 13.784 2.912 1.00 0.00 C ATOM 1423 CD PRO A 92 3.607 13.788 1.776 1.00 0.00 C ATOM 0 HA PRO A 92 3.956 10.825 2.907 1.00 0.00 H new ATOM 0 HB2 PRO A 92 3.365 13.268 4.591 1.00 0.00 H new ATOM 0 HB3 PRO A 92 4.865 12.367 4.493 1.00 0.00 H new ATOM 0 HG2 PRO A 92 4.676 14.775 3.358 1.00 0.00 H new ATOM 0 HG3 PRO A 92 5.584 13.501 2.569 1.00 0.00 H new ATOM 0 HD2 PRO A 92 2.809 14.513 1.935 1.00 0.00 H new ATOM 0 HD3 PRO A 92 4.085 14.042 0.830 1.00 0.00 H new ATOM 1431 N GLU A 93 1.008 12.028 3.581 1.00 0.00 N ATOM 1432 CA GLU A 93 -0.275 11.700 4.197 1.00 0.00 C ATOM 1433 C GLU A 93 -0.831 10.380 3.670 1.00 0.00 C ATOM 1434 O GLU A 93 -1.562 9.684 4.369 1.00 0.00 O ATOM 1435 CB GLU A 93 -1.303 12.813 3.958 1.00 0.00 C ATOM 1436 CG GLU A 93 -0.989 14.130 4.660 1.00 0.00 C ATOM 1437 CD GLU A 93 0.120 14.915 3.990 1.00 0.00 C ATOM 1438 OE1 GLU A 93 1.301 14.696 4.329 1.00 0.00 O ATOM 1439 OE2 GLU A 93 -0.186 15.761 3.128 1.00 0.00 O ATOM 0 H GLU A 93 1.001 12.886 3.029 1.00 0.00 H new ATOM 0 HA GLU A 93 -0.094 11.601 5.267 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -1.377 12.997 2.886 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -2.281 12.464 4.290 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -1.891 14.742 4.691 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -0.707 13.925 5.693 1.00 0.00 H new ATOM 1446 N TYR A 94 -0.474 10.035 2.442 1.00 0.00 N ATOM 1447 CA TYR A 94 -1.000 8.833 1.807 1.00 0.00 C ATOM 1448 C TYR A 94 -0.116 7.623 2.086 1.00 0.00 C ATOM 1449 O TYR A 94 -0.448 6.504 1.695 1.00 0.00 O ATOM 1450 CB TYR A 94 -1.129 9.038 0.297 1.00 0.00 C ATOM 1451 CG TYR A 94 -2.338 9.848 -0.118 1.00 0.00 C ATOM 1452 CD1 TYR A 94 -2.338 11.236 -0.045 1.00 0.00 C ATOM 1453 CD2 TYR A 94 -3.481 9.216 -0.588 1.00 0.00 C ATOM 1454 CE1 TYR A 94 -3.444 11.969 -0.429 1.00 0.00 C ATOM 1455 CE2 TYR A 94 -4.588 9.942 -0.975 1.00 0.00 C ATOM 1456 CZ TYR A 94 -4.566 11.317 -0.894 1.00 0.00 C ATOM 1457 OH TYR A 94 -5.669 12.042 -1.283 1.00 0.00 O ATOM 0 H TYR A 94 0.176 10.568 1.865 1.00 0.00 H new ATOM 0 HA TYR A 94 -1.986 8.643 2.231 1.00 0.00 H new ATOM 0 HB2 TYR A 94 -0.230 9.534 -0.069 1.00 0.00 H new ATOM 0 HB3 TYR A 94 -1.175 8.063 -0.188 1.00 0.00 H new ATOM 0 HD1 TYR A 94 -1.460 11.749 0.318 1.00 0.00 H new ATOM 0 HD2 TYR A 94 -3.504 8.138 -0.652 1.00 0.00 H new ATOM 0 HE1 TYR A 94 -3.430 13.047 -0.365 1.00 0.00 H new ATOM 0 HE2 TYR A 94 -5.469 9.434 -1.340 1.00 0.00 H new ATOM 0 HH TYR A 94 -6.372 11.430 -1.586 1.00 0.00 H new ATOM 1467 N ILE A 95 1.005 7.844 2.758 1.00 0.00 N ATOM 1468 CA ILE A 95 1.913 6.756 3.083 1.00 0.00 C ATOM 1469 C ILE A 95 1.468 6.076 4.376 1.00 0.00 C ATOM 1470 O ILE A 95 1.270 6.742 5.398 1.00 0.00 O ATOM 1471 CB ILE A 95 3.372 7.251 3.223 1.00 0.00 C ATOM 1472 CG1 ILE A 95 3.782 8.061 1.987 1.00 0.00 C ATOM 1473 CG2 ILE A 95 4.315 6.070 3.416 1.00 0.00 C ATOM 1474 CD1 ILE A 95 5.177 8.647 2.075 1.00 0.00 C ATOM 0 H ILE A 95 1.305 8.762 3.087 1.00 0.00 H new ATOM 0 HA ILE A 95 1.882 6.039 2.262 1.00 0.00 H new ATOM 0 HB ILE A 95 3.437 7.896 4.099 1.00 0.00 H new ATOM 0 HG12 ILE A 95 3.722 7.420 1.108 1.00 0.00 H new ATOM 0 HG13 ILE A 95 3.067 8.870 1.841 1.00 0.00 H new ATOM 0 HG21 ILE A 95 5.338 6.433 3.513 1.00 0.00 H new ATOM 0 HG22 ILE A 95 4.036 5.525 4.318 1.00 0.00 H new ATOM 0 HG23 ILE A 95 4.246 5.405 2.555 1.00 0.00 H new ATOM 0 HD11 ILE A 95 5.395 9.206 1.165 1.00 0.00 H new ATOM 0 HD12 ILE A 95 5.237 9.315 2.934 1.00 0.00 H new ATOM 0 HD13 ILE A 95 5.903 7.842 2.190 1.00 0.00 H new ATOM 1486 N PRO A 96 1.289 4.742 4.340 1.00 0.00 N ATOM 1487 CA PRO A 96 0.797 3.970 5.491 1.00 0.00 C ATOM 1488 C PRO A 96 1.668 4.139 6.738 1.00 0.00 C ATOM 1489 O PRO A 96 2.871 4.406 6.638 1.00 0.00 O ATOM 1490 CB PRO A 96 0.854 2.518 5.001 1.00 0.00 C ATOM 1491 CG PRO A 96 0.833 2.606 3.516 1.00 0.00 C ATOM 1492 CD PRO A 96 1.547 3.881 3.171 1.00 0.00 C ATOM 0 HA PRO A 96 -0.197 4.299 5.795 1.00 0.00 H new ATOM 0 HB2 PRO A 96 1.757 2.019 5.353 1.00 0.00 H new ATOM 0 HB3 PRO A 96 0.006 1.943 5.373 1.00 0.00 H new ATOM 0 HG2 PRO A 96 1.329 1.746 3.066 1.00 0.00 H new ATOM 0 HG3 PRO A 96 -0.190 2.617 3.139 1.00 0.00 H new ATOM 0 HD2 PRO A 96 2.614 3.716 3.020 1.00 0.00 H new ATOM 0 HD3 PRO A 96 1.160 4.323 2.253 1.00 0.00 H new ATOM 1500 N PRO A 97 1.071 3.969 7.931 1.00 0.00 N ATOM 1501 CA PRO A 97 1.789 4.087 9.202 1.00 0.00 C ATOM 1502 C PRO A 97 2.926 3.077 9.309 1.00 0.00 C ATOM 1503 O PRO A 97 2.925 2.059 8.616 1.00 0.00 O ATOM 1504 CB PRO A 97 0.715 3.807 10.259 1.00 0.00 C ATOM 1505 CG PRO A 97 -0.582 4.042 9.563 1.00 0.00 C ATOM 1506 CD PRO A 97 -0.351 3.653 8.133 1.00 0.00 C ATOM 0 HA PRO A 97 2.259 5.064 9.316 1.00 0.00 H new ATOM 0 HB2 PRO A 97 0.784 2.785 10.630 1.00 0.00 H new ATOM 0 HB3 PRO A 97 0.826 4.467 11.119 1.00 0.00 H new ATOM 0 HG2 PRO A 97 -1.379 3.445 10.007 1.00 0.00 H new ATOM 0 HG3 PRO A 97 -0.885 5.086 9.641 1.00 0.00 H new ATOM 0 HD2 PRO A 97 -0.558 2.596 7.964 1.00 0.00 H new ATOM 0 HD3 PRO A 97 -0.990 4.216 7.453 1.00 0.00 H new ATOM 1514 N SER A 98 3.903 3.385 10.163 1.00 0.00 N ATOM 1515 CA SER A 98 5.096 2.551 10.353 1.00 0.00 C ATOM 1516 C SER A 98 6.031 2.635 9.143 1.00 0.00 C ATOM 1517 O SER A 98 7.206 2.978 9.280 1.00 0.00 O ATOM 1518 CB SER A 98 4.715 1.090 10.628 1.00 0.00 C ATOM 1519 OG SER A 98 3.808 0.993 11.711 1.00 0.00 O ATOM 0 H SER A 98 3.891 4.222 10.746 1.00 0.00 H new ATOM 0 HA SER A 98 5.626 2.938 11.224 1.00 0.00 H new ATOM 0 HB2 SER A 98 4.267 0.654 9.735 1.00 0.00 H new ATOM 0 HB3 SER A 98 5.613 0.513 10.849 1.00 0.00 H new ATOM 0 HG SER A 98 3.580 0.052 11.864 1.00 0.00 H new ATOM 1525 N PHE A 99 5.496 2.346 7.962 1.00 0.00 N ATOM 1526 CA PHE A 99 6.275 2.354 6.730 1.00 0.00 C ATOM 1527 C PHE A 99 6.623 3.781 6.325 1.00 0.00 C ATOM 1528 O PHE A 99 7.622 4.021 5.653 1.00 0.00 O ATOM 1529 CB PHE A 99 5.493 1.660 5.611 1.00 0.00 C ATOM 1530 CG PHE A 99 5.051 0.270 5.970 1.00 0.00 C ATOM 1531 CD1 PHE A 99 5.961 -0.774 5.993 1.00 0.00 C ATOM 1532 CD2 PHE A 99 3.728 0.011 6.296 1.00 0.00 C ATOM 1533 CE1 PHE A 99 5.560 -2.050 6.334 1.00 0.00 C ATOM 1534 CE2 PHE A 99 3.324 -1.264 6.639 1.00 0.00 C ATOM 1535 CZ PHE A 99 4.241 -2.295 6.657 1.00 0.00 C ATOM 0 H PHE A 99 4.515 2.101 7.832 1.00 0.00 H new ATOM 0 HA PHE A 99 7.204 1.810 6.902 1.00 0.00 H new ATOM 0 HB2 PHE A 99 4.617 2.260 5.363 1.00 0.00 H new ATOM 0 HB3 PHE A 99 6.114 1.617 4.716 1.00 0.00 H new ATOM 0 HD1 PHE A 99 6.995 -0.588 5.742 1.00 0.00 H new ATOM 0 HD2 PHE A 99 3.007 0.815 6.281 1.00 0.00 H new ATOM 0 HE1 PHE A 99 6.278 -2.856 6.348 1.00 0.00 H new ATOM 0 HE2 PHE A 99 2.292 -1.454 6.893 1.00 0.00 H new ATOM 0 HZ PHE A 99 3.927 -3.293 6.924 1.00 0.00 H new ATOM 1545 N ARG A 100 5.790 4.725 6.750 1.00 0.00 N ATOM 1546 CA ARG A 100 6.034 6.142 6.492 1.00 0.00 C ATOM 1547 C ARG A 100 7.209 6.660 7.316 1.00 0.00 C ATOM 1548 O ARG A 100 7.696 7.770 7.094 1.00 0.00 O ATOM 1549 CB ARG A 100 4.782 6.966 6.794 1.00 0.00 C ATOM 1550 CG ARG A 100 4.273 6.787 8.209 1.00 0.00 C ATOM 1551 CD ARG A 100 3.005 7.586 8.455 1.00 0.00 C ATOM 1552 NE ARG A 100 3.241 9.028 8.403 1.00 0.00 N ATOM 1553 CZ ARG A 100 2.419 9.900 7.819 1.00 0.00 C ATOM 1554 NH1 ARG A 100 1.371 9.465 7.127 1.00 0.00 N ATOM 1555 NH2 ARG A 100 2.662 11.204 7.906 1.00 0.00 N ATOM 0 H ARG A 100 4.937 4.535 7.276 1.00 0.00 H new ATOM 0 HA ARG A 100 6.283 6.248 5.436 1.00 0.00 H new ATOM 0 HB2 ARG A 100 5.000 8.020 6.625 1.00 0.00 H new ATOM 0 HB3 ARG A 100 3.994 6.687 6.094 1.00 0.00 H new ATOM 0 HG2 ARG A 100 4.079 5.731 8.395 1.00 0.00 H new ATOM 0 HG3 ARG A 100 5.043 7.099 8.915 1.00 0.00 H new ATOM 0 HD2 ARG A 100 2.257 7.315 7.710 1.00 0.00 H new ATOM 0 HD3 ARG A 100 2.595 7.322 9.430 1.00 0.00 H new ATOM 0 HE ARG A 100 4.088 9.390 8.841 1.00 0.00 H new ATOM 0 HH11 ARG A 100 1.195 8.464 7.043 1.00 0.00 H new ATOM 0 HH12 ARG A 100 0.742 10.132 6.680 1.00 0.00 H new ATOM 0 HH21 ARG A 100 3.478 11.538 8.420 1.00 0.00 H new ATOM 0 HH22 ARG A 100 2.033 11.871 7.459 1.00 0.00 H new