USER MOD reduce.3.24.130724 H: found=0, std=0, add=857, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 858 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 98 GLN : amide:sc= 0.34 K(o=0.93,f=-1.8) USER MOD Set 1.2: A 101 LYS NZ :NH3+ -115:sc= 0.587 (180deg=0) USER MOD Set 2.1: A 54 GLN :FLIP amide:sc= -0.563 F(o=-3.5!,f=-1.1) USER MOD Set 2.2: A 55 ASN : amide:sc= -0.569 X(o=-1.1,f=-1.4) USER MOD Single : A 7 LYS NZ :NH3+ -162:sc= 0.933 (180deg=0.696) USER MOD Single : A 9 GLN :FLIP amide:sc= -0.185 F(o=-5.2!,f=-0.18) USER MOD Single : A 11 GLN : amide:sc= 0.0553 K(o=0.055,f=-1.2) USER MOD Single : A 15 ASN :FLIP amide:sc= -0.393 F(o=-0.98,f=-0.39) USER MOD Single : A 20 TYR OH : rot 180:sc= -0.643 USER MOD Single : A 21 MET CE :methyl -136:sc= -3.24 (180deg=-5.92!) USER MOD Single : A 22 LYS NZ :NH3+ -153:sc= 0 (180deg=-0.417) USER MOD Single : A 24 SER OG : rot -1:sc= 1.1 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 30 CYS SG : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot -25:sc= 0.348 USER MOD Single : A 35 GLN :FLIP amide:sc= -0.964 F(o=-4.1!,f=-0.96) USER MOD Single : A 38 GLN :FLIP amide:sc= -0.884 F(o=-3.9!,f=-0.88) USER MOD Single : A 43 CYS SG : rot -24:sc= -1.09 USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ 141:sc= -1.76 (180deg=-4.21!) USER MOD Single : A 65 TYR OH : rot -55:sc= -2.03! USER MOD Single : A 67 ASN : amide:sc= -0.348 K(o=-0.35,f=-2.6!) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 GLN : amide:sc= -6.29! C(o=-6.3!,f=-6!) USER MOD Single : A 84 CYS SG : rot 180:sc= 0.126 USER MOD Single : A 90 MET CE :methyl 153:sc= 0 (180deg=-0.809) USER MOD Single : A 91 TYR OH : rot 180:sc= 0 USER MOD Single : A 92 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 97 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 103 THR OG1 : rot 84:sc= 0.882 USER MOD Single : A 106 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0743) USER MOD Single : A 107 TYR OH : rot 131:sc= 1.2 USER MOD Single : A 108 LYS NZ :NH3+ -117:sc= -1.24 (180deg=-2.79!) USER MOD Single : A 109 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 59 N ILE A 5 13.265 9.109 3.399 1.00 0.00 N ATOM 60 CA ILE A 5 11.874 9.083 3.838 1.00 0.00 C ATOM 61 C ILE A 5 11.152 10.382 3.501 1.00 0.00 C ATOM 62 O ILE A 5 9.980 10.361 3.121 1.00 0.00 O ATOM 63 CB ILE A 5 11.772 8.805 5.356 1.00 0.00 C ATOM 64 CG1 ILE A 5 12.144 7.356 5.654 1.00 0.00 C ATOM 65 CG2 ILE A 5 10.372 9.087 5.862 1.00 0.00 C ATOM 66 CD1 ILE A 5 12.308 7.063 7.128 1.00 0.00 C ATOM 0 HA ILE A 5 11.387 8.271 3.298 1.00 0.00 H new ATOM 0 HB ILE A 5 12.469 9.468 5.869 1.00 0.00 H new ATOM 0 HG12 ILE A 5 11.374 6.701 5.246 1.00 0.00 H new ATOM 0 HG13 ILE A 5 13.074 7.115 5.139 1.00 0.00 H new ATOM 0 HG21 ILE A 5 10.324 8.884 6.932 1.00 0.00 H new ATOM 0 HG22 ILE A 5 10.123 10.132 5.679 1.00 0.00 H new ATOM 0 HG23 ILE A 5 9.661 8.447 5.340 1.00 0.00 H new ATOM 0 HD11 ILE A 5 12.572 6.014 7.263 1.00 0.00 H new ATOM 0 HD12 ILE A 5 13.098 7.692 7.538 1.00 0.00 H new ATOM 0 HD13 ILE A 5 11.372 7.271 7.647 1.00 0.00 H new ATOM 78 N GLU A 6 11.845 11.506 3.653 1.00 0.00 N ATOM 79 CA GLU A 6 11.255 12.813 3.374 1.00 0.00 C ATOM 80 C GLU A 6 10.627 12.845 1.981 1.00 0.00 C ATOM 81 O GLU A 6 9.475 13.245 1.815 1.00 0.00 O ATOM 82 CB GLU A 6 12.315 13.915 3.501 1.00 0.00 C ATOM 83 CG GLU A 6 13.545 13.679 2.633 1.00 0.00 C ATOM 84 CD GLU A 6 14.528 14.830 2.656 1.00 0.00 C ATOM 85 OE1 GLU A 6 15.008 15.196 3.748 1.00 0.00 O ATOM 86 OE2 GLU A 6 14.837 15.366 1.571 1.00 0.00 O ATOM 0 H GLU A 6 12.815 11.539 3.967 1.00 0.00 H new ATOM 0 HA GLU A 6 10.469 12.992 4.107 1.00 0.00 H new ATOM 0 HB2 GLU A 6 11.867 14.871 3.231 1.00 0.00 H new ATOM 0 HB3 GLU A 6 12.625 13.991 4.543 1.00 0.00 H new ATOM 0 HG2 GLU A 6 14.050 12.773 2.970 1.00 0.00 H new ATOM 0 HG3 GLU A 6 13.227 13.503 1.605 1.00 0.00 H new ATOM 93 N LYS A 7 11.365 12.348 1.003 1.00 0.00 N ATOM 94 CA LYS A 7 10.865 12.241 -0.353 1.00 0.00 C ATOM 95 C LYS A 7 9.849 11.113 -0.473 1.00 0.00 C ATOM 96 O LYS A 7 8.801 11.285 -1.083 1.00 0.00 O ATOM 97 CB LYS A 7 12.027 12.036 -1.322 1.00 0.00 C ATOM 98 CG LYS A 7 12.971 13.226 -1.380 1.00 0.00 C ATOM 99 CD LYS A 7 12.277 14.451 -1.957 1.00 0.00 C ATOM 100 CE LYS A 7 13.168 15.684 -1.926 1.00 0.00 C ATOM 101 NZ LYS A 7 13.440 16.145 -0.538 1.00 0.00 N ATOM 0 H LYS A 7 12.320 12.010 1.127 1.00 0.00 H new ATOM 0 HA LYS A 7 10.356 13.170 -0.611 1.00 0.00 H new ATOM 0 HB2 LYS A 7 12.587 11.149 -1.026 1.00 0.00 H new ATOM 0 HB3 LYS A 7 11.631 11.845 -2.319 1.00 0.00 H new ATOM 0 HG2 LYS A 7 13.339 13.451 -0.379 1.00 0.00 H new ATOM 0 HG3 LYS A 7 13.839 12.976 -1.990 1.00 0.00 H new ATOM 0 HD2 LYS A 7 11.978 14.247 -2.985 1.00 0.00 H new ATOM 0 HD3 LYS A 7 11.365 14.649 -1.393 1.00 0.00 H new ATOM 0 HE2 LYS A 7 14.111 15.461 -2.425 1.00 0.00 H new ATOM 0 HE3 LYS A 7 12.693 16.488 -2.488 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 13.778 17.128 -0.559 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 12.566 16.091 0.023 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 14.166 15.538 -0.107 1.00 0.00 H new ATOM 115 N ILE A 8 10.157 9.970 0.136 1.00 0.00 N ATOM 116 CA ILE A 8 9.267 8.819 0.110 1.00 0.00 C ATOM 117 C ILE A 8 7.855 9.166 0.579 1.00 0.00 C ATOM 118 O ILE A 8 6.875 8.765 -0.051 1.00 0.00 O ATOM 119 CB ILE A 8 9.834 7.673 0.968 1.00 0.00 C ATOM 120 CG1 ILE A 8 11.105 7.113 0.322 1.00 0.00 C ATOM 121 CG2 ILE A 8 8.792 6.590 1.160 1.00 0.00 C ATOM 122 CD1 ILE A 8 11.761 6.005 1.116 1.00 0.00 C ATOM 0 H ILE A 8 11.022 9.819 0.655 1.00 0.00 H new ATOM 0 HA ILE A 8 9.201 8.496 -0.929 1.00 0.00 H new ATOM 0 HB ILE A 8 10.095 8.061 1.952 1.00 0.00 H new ATOM 0 HG12 ILE A 8 10.860 6.738 -0.672 1.00 0.00 H new ATOM 0 HG13 ILE A 8 11.821 7.924 0.190 1.00 0.00 H new ATOM 0 HG21 ILE A 8 9.209 5.788 1.769 1.00 0.00 H new ATOM 0 HG22 ILE A 8 7.919 7.009 1.661 1.00 0.00 H new ATOM 0 HG23 ILE A 8 8.497 6.193 0.189 1.00 0.00 H new ATOM 0 HD11 ILE A 8 12.654 5.662 0.593 1.00 0.00 H new ATOM 0 HD12 ILE A 8 12.039 6.379 2.101 1.00 0.00 H new ATOM 0 HD13 ILE A 8 11.064 5.175 1.227 1.00 0.00 H new ATOM 134 N GLN A 9 7.742 9.921 1.666 1.00 0.00 N ATOM 135 CA GLN A 9 6.433 10.310 2.169 1.00 0.00 C ATOM 136 C GLN A 9 5.678 11.175 1.176 1.00 0.00 C ATOM 137 O GLN A 9 4.468 11.028 1.024 1.00 0.00 O ATOM 138 CB GLN A 9 6.520 10.991 3.536 1.00 0.00 C ATOM 139 CG GLN A 9 6.813 10.029 4.674 1.00 0.00 C ATOM 140 CD GLN A 9 6.832 10.713 6.026 1.00 0.00 C ATOM 141 OE1 GLN A 9 7.902 10.510 6.774 1.00 0.00 O flip ATOM 142 NE2 GLN A 9 5.877 11.392 6.408 1.00 0.00 N flip ATOM 0 H GLN A 9 8.531 10.271 2.209 1.00 0.00 H new ATOM 0 HA GLN A 9 5.867 9.388 2.300 1.00 0.00 H new ATOM 0 HB2 GLN A 9 7.299 11.753 3.505 1.00 0.00 H new ATOM 0 HB3 GLN A 9 5.580 11.505 3.738 1.00 0.00 H new ATOM 0 HG2 GLN A 9 6.061 9.240 4.681 1.00 0.00 H new ATOM 0 HG3 GLN A 9 7.776 9.549 4.500 1.00 0.00 H new ATOM 0 HE21 GLN A 9 5.069 11.524 5.799 1.00 0.00 H new ATOM 0 HE22 GLN A 9 5.894 11.822 7.333 1.00 0.00 H new ATOM 151 N ARG A 10 6.404 11.992 0.428 1.00 0.00 N ATOM 152 CA ARG A 10 5.794 12.774 -0.637 1.00 0.00 C ATOM 153 C ARG A 10 5.105 11.853 -1.646 1.00 0.00 C ATOM 154 O ARG A 10 3.997 12.138 -2.095 1.00 0.00 O ATOM 155 CB ARG A 10 6.830 13.641 -1.361 1.00 0.00 C ATOM 156 CG ARG A 10 7.524 14.697 -0.503 1.00 0.00 C ATOM 157 CD ARG A 10 6.562 15.733 0.057 1.00 0.00 C ATOM 158 NE ARG A 10 5.739 15.206 1.135 1.00 0.00 N ATOM 159 CZ ARG A 10 6.200 14.897 2.351 1.00 0.00 C ATOM 160 NH1 ARG A 10 7.469 15.136 2.671 1.00 0.00 N ATOM 161 NH2 ARG A 10 5.391 14.363 3.254 1.00 0.00 N ATOM 0 H ARG A 10 7.409 12.130 0.537 1.00 0.00 H new ATOM 0 HA ARG A 10 5.055 13.431 -0.179 1.00 0.00 H new ATOM 0 HB2 ARG A 10 7.591 12.987 -1.786 1.00 0.00 H new ATOM 0 HB3 ARG A 10 6.339 14.142 -2.195 1.00 0.00 H new ATOM 0 HG2 ARG A 10 8.040 14.205 0.322 1.00 0.00 H new ATOM 0 HG3 ARG A 10 8.284 15.200 -1.100 1.00 0.00 H new ATOM 0 HD2 ARG A 10 7.128 16.590 0.423 1.00 0.00 H new ATOM 0 HD3 ARG A 10 5.917 16.095 -0.744 1.00 0.00 H new ATOM 0 HE ARG A 10 4.746 15.063 0.951 1.00 0.00 H new ATOM 0 HH11 ARG A 10 8.097 15.558 1.987 1.00 0.00 H new ATOM 0 HH12 ARG A 10 7.814 14.898 3.601 1.00 0.00 H new ATOM 0 HH21 ARG A 10 4.413 14.187 3.022 1.00 0.00 H new ATOM 0 HH22 ARG A 10 5.746 14.128 4.181 1.00 0.00 H new ATOM 175 N GLN A 11 5.745 10.725 -1.958 1.00 0.00 N ATOM 176 CA GLN A 11 5.161 9.742 -2.875 1.00 0.00 C ATOM 177 C GLN A 11 4.024 8.961 -2.239 1.00 0.00 C ATOM 178 O GLN A 11 2.987 8.764 -2.863 1.00 0.00 O ATOM 179 CB GLN A 11 6.211 8.776 -3.439 1.00 0.00 C ATOM 180 CG GLN A 11 6.993 9.340 -4.619 1.00 0.00 C ATOM 181 CD GLN A 11 7.850 10.538 -4.277 1.00 0.00 C ATOM 182 OE1 GLN A 11 8.838 10.423 -3.561 1.00 0.00 O ATOM 183 NE2 GLN A 11 7.460 11.702 -4.772 1.00 0.00 N ATOM 0 H GLN A 11 6.662 10.469 -1.592 1.00 0.00 H new ATOM 0 HA GLN A 11 4.752 10.321 -3.703 1.00 0.00 H new ATOM 0 HB2 GLN A 11 6.910 8.510 -2.646 1.00 0.00 H new ATOM 0 HB3 GLN A 11 5.716 7.856 -3.750 1.00 0.00 H new ATOM 0 HG2 GLN A 11 7.631 8.555 -5.027 1.00 0.00 H new ATOM 0 HG3 GLN A 11 6.292 9.621 -5.405 1.00 0.00 H new ATOM 0 HE21 GLN A 11 6.631 11.752 -5.364 1.00 0.00 H new ATOM 0 HE22 GLN A 11 7.989 12.549 -4.561 1.00 0.00 H new ATOM 192 N ILE A 12 4.215 8.478 -1.026 1.00 0.00 N ATOM 193 CA ILE A 12 3.180 7.684 -0.387 1.00 0.00 C ATOM 194 C ILE A 12 1.903 8.494 -0.246 1.00 0.00 C ATOM 195 O ILE A 12 0.810 8.013 -0.538 1.00 0.00 O ATOM 196 CB ILE A 12 3.599 7.169 1.002 1.00 0.00 C ATOM 197 CG1 ILE A 12 4.875 6.338 0.907 1.00 0.00 C ATOM 198 CG2 ILE A 12 2.479 6.351 1.626 1.00 0.00 C ATOM 199 CD1 ILE A 12 5.210 5.617 2.190 1.00 0.00 C ATOM 0 H ILE A 12 5.060 8.617 -0.471 1.00 0.00 H new ATOM 0 HA ILE A 12 3.013 6.820 -1.030 1.00 0.00 H new ATOM 0 HB ILE A 12 3.797 8.030 1.640 1.00 0.00 H new ATOM 0 HG12 ILE A 12 4.767 5.608 0.105 1.00 0.00 H new ATOM 0 HG13 ILE A 12 5.706 6.989 0.636 1.00 0.00 H new ATOM 0 HG21 ILE A 12 2.792 5.995 2.607 1.00 0.00 H new ATOM 0 HG22 ILE A 12 1.590 6.973 1.732 1.00 0.00 H new ATOM 0 HG23 ILE A 12 2.251 5.498 0.986 1.00 0.00 H new ATOM 0 HD11 ILE A 12 6.128 5.044 2.057 1.00 0.00 H new ATOM 0 HD12 ILE A 12 5.349 6.344 2.990 1.00 0.00 H new ATOM 0 HD13 ILE A 12 4.395 4.941 2.451 1.00 0.00 H new ATOM 211 N ALA A 13 2.062 9.726 0.186 1.00 0.00 N ATOM 212 CA ALA A 13 0.938 10.627 0.354 1.00 0.00 C ATOM 213 C ALA A 13 0.268 10.958 -0.977 1.00 0.00 C ATOM 214 O ALA A 13 -0.953 11.086 -1.037 1.00 0.00 O ATOM 215 CB ALA A 13 1.379 11.901 1.046 1.00 0.00 C ATOM 0 H ALA A 13 2.966 10.131 0.430 1.00 0.00 H new ATOM 0 HA ALA A 13 0.203 10.116 0.976 1.00 0.00 H new ATOM 0 HB1 ALA A 13 0.523 12.566 1.164 1.00 0.00 H new ATOM 0 HB2 ALA A 13 1.789 11.659 2.027 1.00 0.00 H new ATOM 0 HB3 ALA A 13 2.143 12.396 0.446 1.00 0.00 H new ATOM 221 N GLU A 14 1.064 11.171 -2.029 1.00 0.00 N ATOM 222 CA GLU A 14 0.499 11.566 -3.322 1.00 0.00 C ATOM 223 C GLU A 14 -0.344 10.447 -3.922 1.00 0.00 C ATOM 224 O GLU A 14 -1.337 10.713 -4.600 1.00 0.00 O ATOM 225 CB GLU A 14 1.556 12.033 -4.333 1.00 0.00 C ATOM 226 CG GLU A 14 2.566 10.978 -4.727 1.00 0.00 C ATOM 227 CD GLU A 14 3.428 11.411 -5.894 1.00 0.00 C ATOM 228 OE1 GLU A 14 2.876 11.611 -6.997 1.00 0.00 O ATOM 229 OE2 GLU A 14 4.655 11.570 -5.718 1.00 0.00 O ATOM 0 H GLU A 14 2.080 11.079 -2.013 1.00 0.00 H new ATOM 0 HA GLU A 14 -0.140 12.424 -3.114 1.00 0.00 H new ATOM 0 HB2 GLU A 14 1.049 12.384 -5.232 1.00 0.00 H new ATOM 0 HB3 GLU A 14 2.088 12.887 -3.913 1.00 0.00 H new ATOM 0 HG2 GLU A 14 3.203 10.752 -3.872 1.00 0.00 H new ATOM 0 HG3 GLU A 14 2.043 10.058 -4.987 1.00 0.00 H new ATOM 236 N ASN A 15 0.022 9.198 -3.643 1.00 0.00 N ATOM 237 CA ASN A 15 -0.755 8.070 -4.133 1.00 0.00 C ATOM 238 C ASN A 15 -2.016 7.908 -3.299 1.00 0.00 C ATOM 239 O ASN A 15 -1.958 7.854 -2.070 1.00 0.00 O ATOM 240 CB ASN A 15 0.073 6.781 -4.099 1.00 0.00 C ATOM 241 CG ASN A 15 1.242 6.807 -5.068 1.00 0.00 C ATOM 242 OD1 ASN A 15 2.453 6.732 -4.541 1.00 0.00 O flip ATOM 243 ND2 ASN A 15 1.059 6.893 -6.282 1.00 0.00 N flip ATOM 0 H ASN A 15 0.840 8.947 -3.088 1.00 0.00 H new ATOM 0 HA ASN A 15 -1.035 8.267 -5.168 1.00 0.00 H new ATOM 0 HB2 ASN A 15 0.448 6.622 -3.088 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -0.571 5.934 -4.336 1.00 0.00 H new ATOM 0 HD21 ASN A 15 0.110 6.949 -6.652 1.00 0.00 H new ATOM 0 HD22 ASN A 15 1.856 6.908 -6.918 1.00 0.00 H new ATOM 250 N PRO A 16 -3.179 7.883 -3.966 1.00 0.00 N ATOM 251 CA PRO A 16 -4.482 7.792 -3.299 1.00 0.00 C ATOM 252 C PRO A 16 -4.622 6.534 -2.478 1.00 0.00 C ATOM 253 O PRO A 16 -5.141 6.547 -1.366 1.00 0.00 O ATOM 254 CB PRO A 16 -5.470 7.725 -4.470 1.00 0.00 C ATOM 255 CG PRO A 16 -4.759 8.362 -5.610 1.00 0.00 C ATOM 256 CD PRO A 16 -3.317 8.004 -5.430 1.00 0.00 C ATOM 0 HA PRO A 16 -4.636 8.624 -2.611 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -5.740 6.694 -4.700 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -6.395 8.253 -4.237 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -5.139 7.995 -6.564 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -4.899 9.443 -5.605 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -3.068 7.071 -5.936 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -2.658 8.772 -5.834 1.00 0.00 H new ATOM 264 N ILE A 17 -4.172 5.448 -3.059 1.00 0.00 N ATOM 265 CA ILE A 17 -4.263 4.143 -2.447 1.00 0.00 C ATOM 266 C ILE A 17 -2.968 3.429 -2.778 1.00 0.00 C ATOM 267 O ILE A 17 -2.530 3.497 -3.923 1.00 0.00 O ATOM 268 CB ILE A 17 -5.454 3.348 -3.047 1.00 0.00 C ATOM 269 CG1 ILE A 17 -6.761 4.164 -3.011 1.00 0.00 C ATOM 270 CG2 ILE A 17 -5.646 2.025 -2.325 1.00 0.00 C ATOM 271 CD1 ILE A 17 -7.255 4.521 -1.622 1.00 0.00 C ATOM 0 H ILE A 17 -3.729 5.444 -3.978 1.00 0.00 H new ATOM 0 HA ILE A 17 -4.420 4.226 -1.372 1.00 0.00 H new ATOM 0 HB ILE A 17 -5.210 3.147 -4.090 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -6.613 5.085 -3.575 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -7.539 3.598 -3.523 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -6.487 1.489 -2.765 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -4.742 1.424 -2.421 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -5.848 2.212 -1.270 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -8.179 5.094 -1.701 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -7.441 3.608 -1.056 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -6.500 5.118 -1.110 1.00 0.00 H new ATOM 283 N LEU A 18 -2.237 2.977 -1.776 1.00 0.00 N ATOM 284 CA LEU A 18 -0.878 2.547 -2.039 1.00 0.00 C ATOM 285 C LEU A 18 -0.563 1.206 -1.387 1.00 0.00 C ATOM 286 O LEU A 18 -1.049 0.892 -0.307 1.00 0.00 O ATOM 287 CB LEU A 18 0.096 3.625 -1.573 1.00 0.00 C ATOM 288 CG LEU A 18 1.530 3.461 -2.063 1.00 0.00 C ATOM 289 CD1 LEU A 18 1.562 3.406 -3.583 1.00 0.00 C ATOM 290 CD2 LEU A 18 2.383 4.612 -1.559 1.00 0.00 C ATOM 0 H LEU A 18 -2.546 2.899 -0.807 1.00 0.00 H new ATOM 0 HA LEU A 18 -0.769 2.402 -3.114 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -0.275 4.595 -1.904 1.00 0.00 H new ATOM 0 HB3 LEU A 18 0.101 3.641 -0.483 1.00 0.00 H new ATOM 0 HG LEU A 18 1.934 2.526 -1.673 1.00 0.00 H new ATOM 0 HD11 LEU A 18 2.592 3.289 -3.921 1.00 0.00 H new ATOM 0 HD12 LEU A 18 0.968 2.560 -3.929 1.00 0.00 H new ATOM 0 HD13 LEU A 18 1.150 4.330 -3.989 1.00 0.00 H new ATOM 0 HD21 LEU A 18 3.407 4.488 -1.913 1.00 0.00 H new ATOM 0 HD22 LEU A 18 1.981 5.554 -1.933 1.00 0.00 H new ATOM 0 HD23 LEU A 18 2.375 4.621 -0.469 1.00 0.00 H new ATOM 302 N LEU A 19 0.201 0.401 -2.102 1.00 0.00 N ATOM 303 CA LEU A 19 0.546 -0.947 -1.681 1.00 0.00 C ATOM 304 C LEU A 19 2.024 -1.217 -1.930 1.00 0.00 C ATOM 305 O LEU A 19 2.460 -1.250 -3.064 1.00 0.00 O ATOM 306 CB LEU A 19 -0.306 -1.937 -2.489 1.00 0.00 C ATOM 307 CG LEU A 19 0.220 -3.370 -2.564 1.00 0.00 C ATOM 308 CD1 LEU A 19 0.294 -4.011 -1.184 1.00 0.00 C ATOM 309 CD2 LEU A 19 -0.649 -4.202 -3.491 1.00 0.00 C ATOM 0 H LEU A 19 0.604 0.666 -3.001 1.00 0.00 H new ATOM 0 HA LEU A 19 0.352 -1.062 -0.615 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -1.307 -1.961 -2.057 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -0.406 -1.554 -3.505 1.00 0.00 H new ATOM 0 HG LEU A 19 1.232 -3.334 -2.966 1.00 0.00 H new ATOM 0 HD11 LEU A 19 0.672 -5.029 -1.276 1.00 0.00 H new ATOM 0 HD12 LEU A 19 0.964 -3.431 -0.549 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -0.701 -4.032 -0.739 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -0.263 -5.220 -3.535 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -1.672 -4.218 -3.114 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -0.637 -3.766 -4.490 1.00 0.00 H new ATOM 321 N TYR A 20 2.782 -1.480 -0.881 1.00 0.00 N ATOM 322 CA TYR A 20 4.193 -1.809 -1.046 1.00 0.00 C ATOM 323 C TYR A 20 4.433 -3.311 -1.037 1.00 0.00 C ATOM 324 O TYR A 20 4.171 -3.978 -0.038 1.00 0.00 O ATOM 325 CB TYR A 20 5.034 -1.156 0.049 1.00 0.00 C ATOM 326 CG TYR A 20 5.357 0.300 -0.201 1.00 0.00 C ATOM 327 CD1 TYR A 20 4.365 1.260 -0.324 1.00 0.00 C ATOM 328 CD2 TYR A 20 6.681 0.706 -0.320 1.00 0.00 C ATOM 329 CE1 TYR A 20 4.687 2.581 -0.561 1.00 0.00 C ATOM 330 CE2 TYR A 20 7.010 2.020 -0.562 1.00 0.00 C ATOM 331 CZ TYR A 20 6.009 2.957 -0.682 1.00 0.00 C ATOM 332 OH TYR A 20 6.328 4.270 -0.932 1.00 0.00 O ATOM 0 H TYR A 20 2.453 -1.474 0.085 1.00 0.00 H new ATOM 0 HA TYR A 20 4.495 -1.420 -2.019 1.00 0.00 H new ATOM 0 HB2 TYR A 20 4.504 -1.241 0.998 1.00 0.00 H new ATOM 0 HB3 TYR A 20 5.967 -1.710 0.154 1.00 0.00 H new ATOM 0 HD1 TYR A 20 3.328 0.971 -0.233 1.00 0.00 H new ATOM 0 HD2 TYR A 20 7.469 -0.026 -0.220 1.00 0.00 H new ATOM 0 HE1 TYR A 20 3.905 3.320 -0.652 1.00 0.00 H new ATOM 0 HE2 TYR A 20 8.045 2.314 -0.657 1.00 0.00 H new ATOM 0 HH TYR A 20 7.302 4.365 -0.987 1.00 0.00 H new ATOM 342 N MET A 21 5.020 -3.821 -2.123 1.00 0.00 N ATOM 343 CA MET A 21 5.401 -5.231 -2.210 1.00 0.00 C ATOM 344 C MET A 21 6.656 -5.483 -3.037 1.00 0.00 C ATOM 345 O MET A 21 7.428 -4.583 -3.311 1.00 0.00 O ATOM 346 CB MET A 21 4.261 -6.034 -2.782 1.00 0.00 C ATOM 347 CG MET A 21 3.293 -6.438 -1.739 1.00 0.00 C ATOM 348 SD MET A 21 4.003 -7.714 -0.678 1.00 0.00 S ATOM 349 CE MET A 21 4.419 -8.979 -1.874 1.00 0.00 C ATOM 0 H MET A 21 5.242 -3.276 -2.956 1.00 0.00 H new ATOM 0 HA MET A 21 5.629 -5.545 -1.191 1.00 0.00 H new ATOM 0 HB2 MET A 21 3.749 -5.446 -3.544 1.00 0.00 H new ATOM 0 HB3 MET A 21 4.655 -6.922 -3.276 1.00 0.00 H new ATOM 0 HG2 MET A 21 3.013 -5.572 -1.139 1.00 0.00 H new ATOM 0 HG3 MET A 21 2.381 -6.811 -2.206 1.00 0.00 H new ATOM 0 HE1 MET A 21 4.119 -9.954 -1.491 1.00 0.00 H new ATOM 0 HE2 MET A 21 3.897 -8.780 -2.810 1.00 0.00 H new ATOM 0 HE3 MET A 21 5.495 -8.974 -2.050 1.00 0.00 H new ATOM 359 N LYS A 22 6.801 -6.711 -3.517 1.00 0.00 N ATOM 360 CA LYS A 22 7.897 -7.050 -4.400 1.00 0.00 C ATOM 361 C LYS A 22 7.401 -6.979 -5.823 1.00 0.00 C ATOM 362 O LYS A 22 6.474 -7.682 -6.206 1.00 0.00 O ATOM 363 CB LYS A 22 8.431 -8.445 -4.072 1.00 0.00 C ATOM 364 CG LYS A 22 9.609 -8.901 -4.918 1.00 0.00 C ATOM 365 CD LYS A 22 10.140 -10.234 -4.412 1.00 0.00 C ATOM 366 CE LYS A 22 11.342 -10.714 -5.208 1.00 0.00 C ATOM 367 NZ LYS A 22 10.995 -11.033 -6.618 1.00 0.00 N ATOM 0 H LYS A 22 6.171 -7.485 -3.307 1.00 0.00 H new ATOM 0 HA LYS A 22 8.719 -6.346 -4.267 1.00 0.00 H new ATOM 0 HB2 LYS A 22 8.727 -8.466 -3.023 1.00 0.00 H new ATOM 0 HB3 LYS A 22 7.620 -9.164 -4.189 1.00 0.00 H new ATOM 0 HG2 LYS A 22 9.302 -8.996 -5.959 1.00 0.00 H new ATOM 0 HG3 LYS A 22 10.400 -8.151 -4.886 1.00 0.00 H new ATOM 0 HD2 LYS A 22 10.417 -10.138 -3.362 1.00 0.00 H new ATOM 0 HD3 LYS A 22 9.349 -10.982 -4.466 1.00 0.00 H new ATOM 0 HE2 LYS A 22 12.116 -9.946 -5.191 1.00 0.00 H new ATOM 0 HE3 LYS A 22 11.761 -11.600 -4.730 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 11.655 -11.749 -6.984 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 10.024 -11.403 -6.661 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 11.063 -10.171 -7.196 1.00 0.00 H new ATOM 381 N GLY A 23 7.923 -6.022 -6.542 1.00 0.00 N ATOM 382 CA GLY A 23 7.412 -5.720 -7.863 1.00 0.00 C ATOM 383 C GLY A 23 8.173 -6.438 -8.941 1.00 0.00 C ATOM 384 O GLY A 23 8.875 -5.819 -9.733 1.00 0.00 O ATOM 0 H GLY A 23 8.701 -5.435 -6.241 1.00 0.00 H new ATOM 0 HA2 GLY A 23 6.359 -5.998 -7.916 1.00 0.00 H new ATOM 0 HA3 GLY A 23 7.467 -4.645 -8.036 1.00 0.00 H new ATOM 388 N SER A 24 8.031 -7.749 -8.974 1.00 0.00 N ATOM 389 CA SER A 24 8.708 -8.550 -9.981 1.00 0.00 C ATOM 390 C SER A 24 7.972 -8.443 -11.312 1.00 0.00 C ATOM 391 O SER A 24 6.753 -8.307 -11.332 1.00 0.00 O ATOM 392 CB SER A 24 8.828 -10.009 -9.525 1.00 0.00 C ATOM 393 OG SER A 24 7.564 -10.578 -9.245 1.00 0.00 O ATOM 0 H SER A 24 7.457 -8.282 -8.320 1.00 0.00 H new ATOM 0 HA SER A 24 9.719 -8.166 -10.117 1.00 0.00 H new ATOM 0 HB2 SER A 24 9.325 -10.592 -10.300 1.00 0.00 H new ATOM 0 HB3 SER A 24 9.455 -10.061 -8.635 1.00 0.00 H new ATOM 0 HG SER A 24 6.865 -9.905 -9.382 1.00 0.00 H new ATOM 399 N PRO A 25 8.694 -8.447 -12.444 1.00 0.00 N ATOM 400 CA PRO A 25 8.077 -8.308 -13.766 1.00 0.00 C ATOM 401 C PRO A 25 6.951 -9.327 -13.971 1.00 0.00 C ATOM 402 O PRO A 25 5.886 -9.000 -14.496 1.00 0.00 O ATOM 403 CB PRO A 25 9.234 -8.567 -14.747 1.00 0.00 C ATOM 404 CG PRO A 25 10.369 -9.073 -13.918 1.00 0.00 C ATOM 405 CD PRO A 25 10.154 -8.538 -12.533 1.00 0.00 C ATOM 0 HA PRO A 25 7.615 -7.330 -13.904 1.00 0.00 H new ATOM 0 HB2 PRO A 25 8.948 -9.297 -15.504 1.00 0.00 H new ATOM 0 HB3 PRO A 25 9.512 -7.654 -15.273 1.00 0.00 H new ATOM 0 HG2 PRO A 25 10.391 -10.163 -13.914 1.00 0.00 H new ATOM 0 HG3 PRO A 25 11.324 -8.736 -14.320 1.00 0.00 H new ATOM 0 HD2 PRO A 25 10.565 -9.204 -11.774 1.00 0.00 H new ATOM 0 HD3 PRO A 25 10.629 -7.567 -12.396 1.00 0.00 H new ATOM 413 N LYS A 26 7.187 -10.545 -13.501 1.00 0.00 N ATOM 414 CA LYS A 26 6.202 -11.622 -13.566 1.00 0.00 C ATOM 415 C LYS A 26 4.980 -11.343 -12.680 1.00 0.00 C ATOM 416 O LYS A 26 3.875 -11.794 -12.981 1.00 0.00 O ATOM 417 CB LYS A 26 6.858 -12.950 -13.182 1.00 0.00 C ATOM 418 CG LYS A 26 7.514 -12.940 -11.811 1.00 0.00 C ATOM 419 CD LYS A 26 8.228 -14.250 -11.532 1.00 0.00 C ATOM 420 CE LYS A 26 8.892 -14.243 -10.166 1.00 0.00 C ATOM 421 NZ LYS A 26 9.632 -15.504 -9.909 1.00 0.00 N ATOM 0 H LYS A 26 8.067 -10.817 -13.063 1.00 0.00 H new ATOM 0 HA LYS A 26 5.841 -11.682 -14.593 1.00 0.00 H new ATOM 0 HB2 LYS A 26 6.104 -13.737 -13.207 1.00 0.00 H new ATOM 0 HB3 LYS A 26 7.608 -13.203 -13.931 1.00 0.00 H new ATOM 0 HG2 LYS A 26 8.225 -12.116 -11.752 1.00 0.00 H new ATOM 0 HG3 LYS A 26 6.758 -12.765 -11.045 1.00 0.00 H new ATOM 0 HD2 LYS A 26 7.515 -15.073 -11.587 1.00 0.00 H new ATOM 0 HD3 LYS A 26 8.979 -14.427 -12.302 1.00 0.00 H new ATOM 0 HE2 LYS A 26 9.578 -13.398 -10.099 1.00 0.00 H new ATOM 0 HE3 LYS A 26 8.135 -14.101 -9.394 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 10.072 -15.463 -8.968 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 8.973 -16.307 -9.948 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 10.370 -15.626 -10.631 1.00 0.00 H new ATOM 435 N LEU A 27 5.188 -10.657 -11.560 1.00 0.00 N ATOM 436 CA LEU A 27 4.103 -10.400 -10.615 1.00 0.00 C ATOM 437 C LEU A 27 4.451 -9.157 -9.792 1.00 0.00 C ATOM 438 O LEU A 27 5.461 -9.140 -9.091 1.00 0.00 O ATOM 439 CB LEU A 27 3.967 -11.621 -9.696 1.00 0.00 C ATOM 440 CG LEU A 27 2.603 -11.842 -9.018 1.00 0.00 C ATOM 441 CD1 LEU A 27 2.632 -13.112 -8.183 1.00 0.00 C ATOM 442 CD2 LEU A 27 2.199 -10.667 -8.150 1.00 0.00 C ATOM 0 H LEU A 27 6.091 -10.271 -11.285 1.00 0.00 H new ATOM 0 HA LEU A 27 3.162 -10.229 -11.138 1.00 0.00 H new ATOM 0 HB2 LEU A 27 4.202 -12.511 -10.280 1.00 0.00 H new ATOM 0 HB3 LEU A 27 4.724 -11.542 -8.915 1.00 0.00 H new ATOM 0 HG LEU A 27 1.861 -11.939 -9.810 1.00 0.00 H new ATOM 0 HD11 LEU A 27 1.662 -13.258 -7.708 1.00 0.00 H new ATOM 0 HD12 LEU A 27 2.854 -13.965 -8.825 1.00 0.00 H new ATOM 0 HD13 LEU A 27 3.402 -13.026 -7.416 1.00 0.00 H new ATOM 0 HD21 LEU A 27 1.230 -10.869 -7.693 1.00 0.00 H new ATOM 0 HD22 LEU A 27 2.945 -10.518 -7.369 1.00 0.00 H new ATOM 0 HD23 LEU A 27 2.131 -9.768 -8.763 1.00 0.00 H new ATOM 454 N PRO A 28 3.664 -8.078 -9.918 1.00 0.00 N ATOM 455 CA PRO A 28 3.949 -6.797 -9.248 1.00 0.00 C ATOM 456 C PRO A 28 3.781 -6.830 -7.728 1.00 0.00 C ATOM 457 O PRO A 28 3.754 -5.782 -7.078 1.00 0.00 O ATOM 458 CB PRO A 28 2.919 -5.846 -9.864 1.00 0.00 C ATOM 459 CG PRO A 28 1.829 -6.713 -10.372 1.00 0.00 C ATOM 460 CD PRO A 28 2.482 -7.989 -10.788 1.00 0.00 C ATOM 0 HA PRO A 28 4.990 -6.509 -9.394 1.00 0.00 H new ATOM 0 HB2 PRO A 28 2.545 -5.140 -9.123 1.00 0.00 H new ATOM 0 HB3 PRO A 28 3.360 -5.259 -10.669 1.00 0.00 H new ATOM 0 HG2 PRO A 28 1.080 -6.891 -9.601 1.00 0.00 H new ATOM 0 HG3 PRO A 28 1.316 -6.244 -11.212 1.00 0.00 H new ATOM 0 HD2 PRO A 28 1.818 -8.842 -10.649 1.00 0.00 H new ATOM 0 HD3 PRO A 28 2.761 -7.971 -11.841 1.00 0.00 H new ATOM 468 N SER A 29 3.722 -8.022 -7.160 1.00 0.00 N ATOM 469 CA SER A 29 3.615 -8.187 -5.729 1.00 0.00 C ATOM 470 C SER A 29 3.936 -9.615 -5.315 1.00 0.00 C ATOM 471 O SER A 29 3.231 -10.217 -4.502 1.00 0.00 O ATOM 472 CB SER A 29 2.234 -7.773 -5.265 1.00 0.00 C ATOM 473 OG SER A 29 1.214 -8.428 -6.000 1.00 0.00 O ATOM 0 H SER A 29 3.747 -8.899 -7.681 1.00 0.00 H new ATOM 0 HA SER A 29 4.349 -7.542 -5.246 1.00 0.00 H new ATOM 0 HB2 SER A 29 2.123 -8.002 -4.205 1.00 0.00 H new ATOM 0 HB3 SER A 29 2.123 -6.694 -5.371 1.00 0.00 H new ATOM 0 HG SER A 29 0.337 -8.138 -5.672 1.00 0.00 H new ATOM 479 N CYS A 30 5.029 -10.136 -5.847 1.00 0.00 N ATOM 480 CA CYS A 30 5.476 -11.475 -5.499 1.00 0.00 C ATOM 481 C CYS A 30 5.885 -11.504 -4.032 1.00 0.00 C ATOM 482 O CYS A 30 6.668 -10.672 -3.583 1.00 0.00 O ATOM 483 CB CYS A 30 6.654 -11.886 -6.384 1.00 0.00 C ATOM 484 SG CYS A 30 7.213 -13.589 -6.144 1.00 0.00 S ATOM 0 H CYS A 30 5.623 -9.653 -6.521 1.00 0.00 H new ATOM 0 HA CYS A 30 4.661 -12.181 -5.661 1.00 0.00 H new ATOM 0 HB2 CYS A 30 6.371 -11.753 -7.428 1.00 0.00 H new ATOM 0 HB3 CYS A 30 7.489 -11.212 -6.192 1.00 0.00 H new ATOM 0 HG CYS A 30 8.210 -13.835 -6.941 1.00 0.00 H new ATOM 490 N GLY A 31 5.284 -12.394 -3.276 1.00 0.00 N ATOM 491 CA GLY A 31 5.531 -12.431 -1.853 1.00 0.00 C ATOM 492 C GLY A 31 4.266 -12.720 -1.081 1.00 0.00 C ATOM 493 O GLY A 31 3.493 -13.597 -1.463 1.00 0.00 O ATOM 0 H GLY A 31 4.627 -13.095 -3.618 1.00 0.00 H new ATOM 0 HA2 GLY A 31 6.277 -13.195 -1.631 1.00 0.00 H new ATOM 0 HA3 GLY A 31 5.946 -11.477 -1.529 1.00 0.00 H new ATOM 497 N PHE A 32 4.032 -11.970 -0.011 1.00 0.00 N ATOM 498 CA PHE A 32 2.818 -12.168 0.784 1.00 0.00 C ATOM 499 C PHE A 32 1.582 -11.549 0.155 1.00 0.00 C ATOM 500 O PHE A 32 0.501 -12.106 0.269 1.00 0.00 O ATOM 501 CB PHE A 32 2.955 -11.652 2.213 1.00 0.00 C ATOM 502 CG PHE A 32 3.789 -12.525 3.093 1.00 0.00 C ATOM 503 CD1 PHE A 32 5.171 -12.531 3.004 1.00 0.00 C ATOM 504 CD2 PHE A 32 3.173 -13.325 4.039 1.00 0.00 C ATOM 505 CE1 PHE A 32 5.928 -13.332 3.840 1.00 0.00 C ATOM 506 CE2 PHE A 32 3.922 -14.124 4.879 1.00 0.00 C ATOM 507 CZ PHE A 32 5.301 -14.128 4.779 1.00 0.00 C ATOM 0 H PHE A 32 4.651 -11.232 0.325 1.00 0.00 H new ATOM 0 HA PHE A 32 2.689 -13.250 0.809 1.00 0.00 H new ATOM 0 HB2 PHE A 32 3.392 -10.654 2.188 1.00 0.00 H new ATOM 0 HB3 PHE A 32 1.962 -11.554 2.651 1.00 0.00 H new ATOM 0 HD1 PHE A 32 5.663 -11.904 2.275 1.00 0.00 H new ATOM 0 HD2 PHE A 32 2.096 -13.324 4.121 1.00 0.00 H new ATOM 0 HE1 PHE A 32 7.005 -13.335 3.759 1.00 0.00 H new ATOM 0 HE2 PHE A 32 3.431 -14.745 5.614 1.00 0.00 H new ATOM 0 HZ PHE A 32 5.888 -14.754 5.435 1.00 0.00 H new ATOM 517 N SER A 33 1.703 -10.343 -0.386 1.00 0.00 N ATOM 518 CA SER A 33 0.533 -9.605 -0.876 1.00 0.00 C ATOM 519 C SER A 33 -0.278 -10.401 -1.889 1.00 0.00 C ATOM 520 O SER A 33 -1.389 -10.015 -2.205 1.00 0.00 O ATOM 521 CB SER A 33 0.922 -8.270 -1.482 1.00 0.00 C ATOM 522 OG SER A 33 -0.213 -7.507 -1.852 1.00 0.00 O ATOM 0 H SER A 33 2.591 -9.853 -0.499 1.00 0.00 H new ATOM 0 HA SER A 33 -0.091 -9.430 0.000 1.00 0.00 H new ATOM 0 HB2 SER A 33 1.520 -7.707 -0.766 1.00 0.00 H new ATOM 0 HB3 SER A 33 1.548 -8.438 -2.358 1.00 0.00 H new ATOM 0 HG SER A 33 -0.969 -8.107 -2.022 1.00 0.00 H new ATOM 528 N ALA A 34 0.252 -11.529 -2.355 1.00 0.00 N ATOM 529 CA ALA A 34 -0.473 -12.392 -3.278 1.00 0.00 C ATOM 530 C ALA A 34 -1.920 -12.597 -2.813 1.00 0.00 C ATOM 531 O ALA A 34 -2.845 -12.480 -3.609 1.00 0.00 O ATOM 532 CB ALA A 34 0.236 -13.731 -3.418 1.00 0.00 C ATOM 0 H ALA A 34 1.182 -11.865 -2.107 1.00 0.00 H new ATOM 0 HA ALA A 34 -0.496 -11.906 -4.253 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -0.317 -14.365 -4.111 1.00 0.00 H new ATOM 0 HB2 ALA A 34 1.244 -13.571 -3.799 1.00 0.00 H new ATOM 0 HB3 ALA A 34 0.290 -14.218 -2.444 1.00 0.00 H new ATOM 538 N GLN A 35 -2.125 -12.814 -1.510 1.00 0.00 N ATOM 539 CA GLN A 35 -3.483 -12.922 -0.987 1.00 0.00 C ATOM 540 C GLN A 35 -4.099 -11.525 -0.753 1.00 0.00 C ATOM 541 O GLN A 35 -5.309 -11.340 -0.893 1.00 0.00 O ATOM 542 CB GLN A 35 -3.554 -13.783 0.301 1.00 0.00 C ATOM 543 CG GLN A 35 -3.332 -13.056 1.619 1.00 0.00 C ATOM 544 CD GLN A 35 -1.898 -12.669 1.860 1.00 0.00 C ATOM 545 OE1 GLN A 35 -1.646 -11.377 1.903 1.00 0.00 O flip ATOM 546 NE2 GLN A 35 -1.025 -13.524 1.996 1.00 0.00 N flip ATOM 0 H GLN A 35 -1.385 -12.916 -0.815 1.00 0.00 H new ATOM 0 HA GLN A 35 -4.074 -13.436 -1.745 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -4.532 -14.262 0.337 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -2.812 -14.578 0.221 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -3.950 -12.158 1.638 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -3.670 -13.692 2.437 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -1.269 -14.513 1.955 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -0.056 -13.244 2.150 1.00 0.00 H new ATOM 555 N ALA A 36 -3.266 -10.577 -0.301 1.00 0.00 N ATOM 556 CA ALA A 36 -3.716 -9.233 0.085 1.00 0.00 C ATOM 557 C ALA A 36 -4.214 -8.421 -1.103 1.00 0.00 C ATOM 558 O ALA A 36 -5.245 -7.754 -1.022 1.00 0.00 O ATOM 559 CB ALA A 36 -2.591 -8.484 0.797 1.00 0.00 C ATOM 0 H ALA A 36 -2.262 -10.721 -0.193 1.00 0.00 H new ATOM 0 HA ALA A 36 -4.559 -9.361 0.764 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -2.937 -7.489 1.078 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -2.298 -9.033 1.692 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -1.734 -8.395 0.130 1.00 0.00 H new ATOM 565 N VAL A 37 -3.463 -8.468 -2.192 1.00 0.00 N ATOM 566 CA VAL A 37 -3.791 -7.728 -3.402 1.00 0.00 C ATOM 567 C VAL A 37 -5.207 -8.053 -3.866 1.00 0.00 C ATOM 568 O VAL A 37 -5.934 -7.180 -4.343 1.00 0.00 O ATOM 569 CB VAL A 37 -2.773 -8.031 -4.532 1.00 0.00 C ATOM 570 CG1 VAL A 37 -2.753 -9.507 -4.893 1.00 0.00 C ATOM 571 CG2 VAL A 37 -3.062 -7.191 -5.767 1.00 0.00 C ATOM 0 H VAL A 37 -2.608 -9.020 -2.263 1.00 0.00 H new ATOM 0 HA VAL A 37 -3.737 -6.665 -3.168 1.00 0.00 H new ATOM 0 HB VAL A 37 -1.786 -7.766 -4.152 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -2.027 -9.677 -5.688 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -2.475 -10.092 -4.016 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -3.743 -9.812 -5.234 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -2.333 -7.423 -6.544 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -4.065 -7.413 -6.132 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -2.995 -6.133 -5.512 1.00 0.00 H new ATOM 581 N GLN A 38 -5.585 -9.316 -3.721 1.00 0.00 N ATOM 582 CA GLN A 38 -6.902 -9.774 -4.127 1.00 0.00 C ATOM 583 C GLN A 38 -7.976 -9.058 -3.322 1.00 0.00 C ATOM 584 O GLN A 38 -8.958 -8.576 -3.875 1.00 0.00 O ATOM 585 CB GLN A 38 -7.027 -11.287 -3.920 1.00 0.00 C ATOM 586 CG GLN A 38 -5.798 -12.078 -4.354 1.00 0.00 C ATOM 587 CD GLN A 38 -5.394 -11.885 -5.817 1.00 0.00 C ATOM 588 OE1 GLN A 38 -6.190 -11.162 -6.593 1.00 0.00 O flip ATOM 589 NE2 GLN A 38 -4.377 -12.421 -6.254 1.00 0.00 N flip ATOM 0 H GLN A 38 -4.992 -10.044 -3.322 1.00 0.00 H new ATOM 0 HA GLN A 38 -7.036 -9.548 -5.185 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -7.219 -11.484 -2.865 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -7.893 -11.648 -4.474 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -4.958 -11.795 -3.719 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -5.985 -13.138 -4.180 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -3.784 -12.971 -5.633 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -4.127 -12.315 -7.237 1.00 0.00 H new ATOM 598 N ALA A 39 -7.755 -8.968 -2.015 1.00 0.00 N ATOM 599 CA ALA A 39 -8.679 -8.286 -1.114 1.00 0.00 C ATOM 600 C ALA A 39 -8.841 -6.822 -1.489 1.00 0.00 C ATOM 601 O ALA A 39 -9.946 -6.289 -1.453 1.00 0.00 O ATOM 602 CB ALA A 39 -8.187 -8.397 0.320 1.00 0.00 C ATOM 0 H ALA A 39 -6.936 -9.363 -1.552 1.00 0.00 H new ATOM 0 HA ALA A 39 -9.651 -8.770 -1.205 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -8.883 -7.885 0.984 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -8.122 -9.448 0.602 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -7.202 -7.938 0.403 1.00 0.00 H new ATOM 608 N LEU A 40 -7.724 -6.156 -1.749 1.00 0.00 N ATOM 609 CA LEU A 40 -7.731 -4.721 -2.011 1.00 0.00 C ATOM 610 C LEU A 40 -8.533 -4.412 -3.265 1.00 0.00 C ATOM 611 O LEU A 40 -9.482 -3.628 -3.235 1.00 0.00 O ATOM 612 CB LEU A 40 -6.312 -4.228 -2.239 1.00 0.00 C ATOM 613 CG LEU A 40 -5.995 -2.820 -1.706 1.00 0.00 C ATOM 614 CD1 LEU A 40 -4.606 -2.384 -2.144 1.00 0.00 C ATOM 615 CD2 LEU A 40 -7.035 -1.796 -2.140 1.00 0.00 C ATOM 0 H LEU A 40 -6.800 -6.586 -1.784 1.00 0.00 H new ATOM 0 HA LEU A 40 -8.177 -4.226 -1.148 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -5.624 -4.934 -1.775 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -6.110 -4.244 -3.310 1.00 0.00 H new ATOM 0 HG LEU A 40 -6.024 -2.872 -0.618 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -4.399 -1.386 -1.758 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -3.866 -3.084 -1.756 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -4.556 -2.369 -3.233 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -6.770 -0.817 -1.741 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -7.066 -1.748 -3.228 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -8.014 -2.089 -1.762 1.00 0.00 H new ATOM 627 N ALA A 41 -8.130 -5.038 -4.364 1.00 0.00 N ATOM 628 CA ALA A 41 -8.779 -4.842 -5.648 1.00 0.00 C ATOM 629 C ALA A 41 -10.240 -5.232 -5.560 1.00 0.00 C ATOM 630 O ALA A 41 -11.098 -4.660 -6.234 1.00 0.00 O ATOM 631 CB ALA A 41 -8.072 -5.647 -6.727 1.00 0.00 C ATOM 0 H ALA A 41 -7.348 -5.692 -4.387 1.00 0.00 H new ATOM 0 HA ALA A 41 -8.719 -3.787 -5.914 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -8.570 -5.490 -7.684 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -7.034 -5.323 -6.801 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -8.104 -6.706 -6.471 1.00 0.00 H new ATOM 637 N ALA A 42 -10.511 -6.214 -4.718 1.00 0.00 N ATOM 638 CA ALA A 42 -11.873 -6.692 -4.529 1.00 0.00 C ATOM 639 C ALA A 42 -12.711 -5.670 -3.775 1.00 0.00 C ATOM 640 O ALA A 42 -13.878 -5.441 -4.105 1.00 0.00 O ATOM 641 CB ALA A 42 -11.889 -8.018 -3.785 1.00 0.00 C ATOM 0 H ALA A 42 -9.810 -6.696 -4.155 1.00 0.00 H new ATOM 0 HA ALA A 42 -12.306 -6.840 -5.518 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -12.919 -8.351 -3.658 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -11.334 -8.762 -4.356 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -11.425 -7.892 -2.807 1.00 0.00 H new ATOM 647 N CYS A 43 -12.161 -5.181 -2.676 1.00 0.00 N ATOM 648 CA CYS A 43 -12.910 -4.334 -1.769 1.00 0.00 C ATOM 649 C CYS A 43 -13.167 -2.938 -2.353 1.00 0.00 C ATOM 650 O CYS A 43 -14.316 -2.497 -2.429 1.00 0.00 O ATOM 651 CB CYS A 43 -12.177 -4.247 -0.425 1.00 0.00 C ATOM 652 SG CYS A 43 -10.559 -3.439 -0.474 1.00 0.00 S ATOM 0 H CYS A 43 -11.197 -5.357 -2.392 1.00 0.00 H new ATOM 0 HA CYS A 43 -13.890 -4.786 -1.615 1.00 0.00 H new ATOM 0 HB2 CYS A 43 -12.811 -3.711 0.281 1.00 0.00 H new ATOM 0 HB3 CYS A 43 -12.048 -5.257 -0.035 1.00 0.00 H new ATOM 0 HG CYS A 43 -10.073 -3.514 -1.677 1.00 0.00 H new ATOM 658 N GLY A 44 -12.104 -2.237 -2.734 1.00 0.00 N ATOM 659 CA GLY A 44 -12.258 -0.894 -3.261 1.00 0.00 C ATOM 660 C GLY A 44 -12.140 -0.821 -4.769 1.00 0.00 C ATOM 661 O GLY A 44 -12.453 -1.780 -5.479 1.00 0.00 O ATOM 0 H GLY A 44 -11.142 -2.573 -2.687 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -13.230 -0.504 -2.961 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -11.503 -0.248 -2.813 1.00 0.00 H new ATOM 665 N GLU A 45 -11.585 0.288 -5.241 1.00 0.00 N ATOM 666 CA GLU A 45 -11.293 0.477 -6.657 1.00 0.00 C ATOM 667 C GLU A 45 -9.813 0.275 -6.949 1.00 0.00 C ATOM 668 O GLU A 45 -9.136 -0.497 -6.267 1.00 0.00 O ATOM 669 CB GLU A 45 -11.754 1.843 -7.165 1.00 0.00 C ATOM 670 CG GLU A 45 -13.262 1.970 -7.282 1.00 0.00 C ATOM 671 CD GLU A 45 -13.689 3.269 -7.936 1.00 0.00 C ATOM 672 OE1 GLU A 45 -12.808 4.104 -8.256 1.00 0.00 O ATOM 673 OE2 GLU A 45 -14.901 3.447 -8.167 1.00 0.00 O ATOM 0 H GLU A 45 -11.325 1.081 -4.654 1.00 0.00 H new ATOM 0 HA GLU A 45 -11.860 -0.283 -7.195 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -11.384 2.616 -6.491 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -11.305 2.029 -8.141 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -13.650 1.132 -7.861 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -13.707 1.904 -6.289 1.00 0.00 H new ATOM 680 N ARG A 46 -9.332 0.919 -8.009 1.00 0.00 N ATOM 681 CA ARG A 46 -7.947 0.744 -8.427 1.00 0.00 C ATOM 682 C ARG A 46 -6.998 1.416 -7.457 1.00 0.00 C ATOM 683 O ARG A 46 -7.390 2.305 -6.695 1.00 0.00 O ATOM 684 CB ARG A 46 -7.710 1.180 -9.878 1.00 0.00 C ATOM 685 CG ARG A 46 -7.919 2.646 -10.154 1.00 0.00 C ATOM 686 CD ARG A 46 -6.765 3.502 -9.662 1.00 0.00 C ATOM 687 NE ARG A 46 -6.953 4.914 -10.005 1.00 0.00 N ATOM 688 CZ ARG A 46 -6.077 5.888 -9.740 1.00 0.00 C ATOM 689 NH1 ARG A 46 -4.910 5.616 -9.167 1.00 0.00 N ATOM 690 NH2 ARG A 46 -6.356 7.136 -10.094 1.00 0.00 N ATOM 0 H ARG A 46 -9.875 1.560 -8.588 1.00 0.00 H new ATOM 0 HA ARG A 46 -7.734 -0.325 -8.403 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -6.690 0.917 -10.157 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -8.375 0.607 -10.525 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -8.047 2.796 -11.226 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -8.841 2.975 -9.674 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -6.671 3.400 -8.581 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -5.833 3.142 -10.099 1.00 0.00 H new ATOM 0 HE ARG A 46 -7.817 5.173 -10.482 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -4.673 4.654 -8.924 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -4.251 6.369 -8.970 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -7.235 7.348 -10.566 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -5.691 7.883 -9.894 1.00 0.00 H new ATOM 704 N PHE A 47 -5.814 0.857 -7.359 1.00 0.00 N ATOM 705 CA PHE A 47 -4.877 1.251 -6.329 1.00 0.00 C ATOM 706 C PHE A 47 -3.460 1.275 -6.878 1.00 0.00 C ATOM 707 O PHE A 47 -3.142 0.578 -7.847 1.00 0.00 O ATOM 708 CB PHE A 47 -4.985 0.282 -5.146 1.00 0.00 C ATOM 709 CG PHE A 47 -4.518 -1.122 -5.429 1.00 0.00 C ATOM 710 CD1 PHE A 47 -3.162 -1.422 -5.536 1.00 0.00 C ATOM 711 CD2 PHE A 47 -5.438 -2.146 -5.581 1.00 0.00 C ATOM 712 CE1 PHE A 47 -2.744 -2.714 -5.786 1.00 0.00 C ATOM 713 CE2 PHE A 47 -5.023 -3.440 -5.833 1.00 0.00 C ATOM 714 CZ PHE A 47 -3.675 -3.725 -5.934 1.00 0.00 C ATOM 0 H PHE A 47 -5.475 0.125 -7.982 1.00 0.00 H new ATOM 0 HA PHE A 47 -5.120 2.257 -5.988 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -4.404 0.681 -4.314 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -6.024 0.244 -4.820 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -2.430 -0.636 -5.422 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -6.493 -1.931 -5.502 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -1.690 -2.935 -5.866 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -5.752 -4.228 -5.951 1.00 0.00 H new ATOM 0 HZ PHE A 47 -3.349 -4.736 -6.128 1.00 0.00 H new ATOM 724 N ALA A 48 -2.610 2.048 -6.239 1.00 0.00 N ATOM 725 CA ALA A 48 -1.220 2.133 -6.626 1.00 0.00 C ATOM 726 C ALA A 48 -0.385 1.220 -5.752 1.00 0.00 C ATOM 727 O ALA A 48 -0.776 0.893 -4.636 1.00 0.00 O ATOM 728 CB ALA A 48 -0.718 3.563 -6.552 1.00 0.00 C ATOM 0 H ALA A 48 -2.861 2.632 -5.441 1.00 0.00 H new ATOM 0 HA ALA A 48 -1.128 1.807 -7.662 1.00 0.00 H new ATOM 0 HB1 ALA A 48 0.330 3.596 -6.849 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -1.305 4.190 -7.223 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -0.818 3.931 -5.531 1.00 0.00 H new ATOM 734 N TYR A 49 0.723 0.755 -6.286 1.00 0.00 N ATOM 735 CA TYR A 49 1.566 -0.186 -5.581 1.00 0.00 C ATOM 736 C TYR A 49 3.019 0.245 -5.772 1.00 0.00 C ATOM 737 O TYR A 49 3.354 0.870 -6.780 1.00 0.00 O ATOM 738 CB TYR A 49 1.358 -1.606 -6.133 1.00 0.00 C ATOM 739 CG TYR A 49 2.196 -1.910 -7.347 1.00 0.00 C ATOM 740 CD1 TYR A 49 3.507 -2.323 -7.188 1.00 0.00 C ATOM 741 CD2 TYR A 49 1.691 -1.792 -8.631 1.00 0.00 C ATOM 742 CE1 TYR A 49 4.306 -2.603 -8.269 1.00 0.00 C ATOM 743 CE2 TYR A 49 2.483 -2.072 -9.729 1.00 0.00 C ATOM 744 CZ TYR A 49 3.792 -2.473 -9.543 1.00 0.00 C ATOM 745 OH TYR A 49 4.587 -2.748 -10.635 1.00 0.00 O ATOM 0 H TYR A 49 1.063 1.015 -7.212 1.00 0.00 H new ATOM 0 HA TYR A 49 1.312 -0.196 -4.521 1.00 0.00 H new ATOM 0 HB2 TYR A 49 1.591 -2.329 -5.351 1.00 0.00 H new ATOM 0 HB3 TYR A 49 0.306 -1.738 -6.386 1.00 0.00 H new ATOM 0 HD1 TYR A 49 3.911 -2.427 -6.192 1.00 0.00 H new ATOM 0 HD2 TYR A 49 0.668 -1.478 -8.776 1.00 0.00 H new ATOM 0 HE1 TYR A 49 5.327 -2.922 -8.123 1.00 0.00 H new ATOM 0 HE2 TYR A 49 2.081 -1.978 -10.727 1.00 0.00 H new ATOM 0 HH TYR A 49 4.073 -2.608 -11.457 1.00 0.00 H new ATOM 755 N VAL A 50 3.878 -0.114 -4.839 1.00 0.00 N ATOM 756 CA VAL A 50 5.288 0.200 -4.948 1.00 0.00 C ATOM 757 C VAL A 50 6.118 -1.034 -4.664 1.00 0.00 C ATOM 758 O VAL A 50 5.958 -1.675 -3.624 1.00 0.00 O ATOM 759 CB VAL A 50 5.712 1.300 -3.952 1.00 0.00 C ATOM 760 CG1 VAL A 50 7.176 1.665 -4.138 1.00 0.00 C ATOM 761 CG2 VAL A 50 4.831 2.525 -4.095 1.00 0.00 C ATOM 0 H VAL A 50 3.623 -0.625 -3.994 1.00 0.00 H new ATOM 0 HA VAL A 50 5.456 0.557 -5.964 1.00 0.00 H new ATOM 0 HB VAL A 50 5.587 0.907 -2.943 1.00 0.00 H new ATOM 0 HG11 VAL A 50 7.451 2.442 -3.425 1.00 0.00 H new ATOM 0 HG12 VAL A 50 7.795 0.783 -3.971 1.00 0.00 H new ATOM 0 HG13 VAL A 50 7.334 2.031 -5.152 1.00 0.00 H new ATOM 0 HG21 VAL A 50 5.149 3.287 -3.383 1.00 0.00 H new ATOM 0 HG22 VAL A 50 4.915 2.918 -5.108 1.00 0.00 H new ATOM 0 HG23 VAL A 50 3.794 2.253 -3.897 1.00 0.00 H new ATOM 771 N ASP A 51 7.058 -1.311 -5.544 1.00 0.00 N ATOM 772 CA ASP A 51 7.983 -2.400 -5.330 1.00 0.00 C ATOM 773 C ASP A 51 9.080 -1.998 -4.346 1.00 0.00 C ATOM 774 O ASP A 51 9.584 -0.876 -4.369 1.00 0.00 O ATOM 775 CB ASP A 51 8.574 -2.909 -6.656 1.00 0.00 C ATOM 776 CG ASP A 51 9.184 -1.830 -7.537 1.00 0.00 C ATOM 777 OD1 ASP A 51 10.133 -1.155 -7.104 1.00 0.00 O ATOM 778 OD2 ASP A 51 8.728 -1.675 -8.686 1.00 0.00 O ATOM 0 H ASP A 51 7.200 -0.796 -6.413 1.00 0.00 H new ATOM 0 HA ASP A 51 7.426 -3.227 -4.889 1.00 0.00 H new ATOM 0 HB2 ASP A 51 9.339 -3.653 -6.435 1.00 0.00 H new ATOM 0 HB3 ASP A 51 7.789 -3.416 -7.217 1.00 0.00 H new ATOM 783 N ILE A 52 9.353 -2.897 -3.414 1.00 0.00 N ATOM 784 CA ILE A 52 10.285 -2.652 -2.321 1.00 0.00 C ATOM 785 C ILE A 52 10.909 -3.946 -1.815 1.00 0.00 C ATOM 786 O ILE A 52 12.109 -3.991 -1.611 1.00 0.00 O ATOM 787 CB ILE A 52 9.658 -1.853 -1.155 1.00 0.00 C ATOM 788 CG1 ILE A 52 8.164 -2.105 -1.050 1.00 0.00 C ATOM 789 CG2 ILE A 52 9.940 -0.376 -1.297 1.00 0.00 C ATOM 790 CD1 ILE A 52 7.806 -3.473 -0.559 1.00 0.00 C ATOM 0 H ILE A 52 8.931 -3.826 -3.393 1.00 0.00 H new ATOM 0 HA ILE A 52 11.075 -2.029 -2.739 1.00 0.00 H new ATOM 0 HB ILE A 52 10.122 -2.203 -0.233 1.00 0.00 H new ATOM 0 HG12 ILE A 52 7.728 -1.365 -0.379 1.00 0.00 H new ATOM 0 HG13 ILE A 52 7.711 -1.953 -2.030 1.00 0.00 H new ATOM 0 HG21 ILE A 52 9.488 0.162 -0.464 1.00 0.00 H new ATOM 0 HG22 ILE A 52 11.017 -0.209 -1.295 1.00 0.00 H new ATOM 0 HG23 ILE A 52 9.519 -0.014 -2.235 1.00 0.00 H new ATOM 0 HD11 ILE A 52 6.721 -3.571 -0.513 1.00 0.00 H new ATOM 0 HD12 ILE A 52 8.209 -4.221 -1.241 1.00 0.00 H new ATOM 0 HD13 ILE A 52 8.226 -3.624 0.435 1.00 0.00 H new ATOM 802 N LEU A 53 10.162 -5.056 -1.830 1.00 0.00 N ATOM 803 CA LEU A 53 10.807 -6.352 -1.599 1.00 0.00 C ATOM 804 C LEU A 53 11.688 -6.701 -2.799 1.00 0.00 C ATOM 805 O LEU A 53 12.463 -7.650 -2.768 1.00 0.00 O ATOM 806 CB LEU A 53 9.826 -7.507 -1.293 1.00 0.00 C ATOM 807 CG LEU A 53 9.028 -7.396 0.007 1.00 0.00 C ATOM 808 CD1 LEU A 53 9.841 -6.680 1.062 1.00 0.00 C ATOM 809 CD2 LEU A 53 7.687 -6.726 -0.212 1.00 0.00 C ATOM 0 H LEU A 53 9.155 -5.087 -1.992 1.00 0.00 H new ATOM 0 HA LEU A 53 11.410 -6.242 -0.698 1.00 0.00 H new ATOM 0 HB2 LEU A 53 9.121 -7.585 -2.121 1.00 0.00 H new ATOM 0 HB3 LEU A 53 10.392 -8.438 -1.268 1.00 0.00 H new ATOM 0 HG LEU A 53 8.819 -8.405 0.362 1.00 0.00 H new ATOM 0 HD11 LEU A 53 9.261 -6.608 1.982 1.00 0.00 H new ATOM 0 HD12 LEU A 53 10.758 -7.236 1.254 1.00 0.00 H new ATOM 0 HD13 LEU A 53 10.091 -5.679 0.711 1.00 0.00 H new ATOM 0 HD21 LEU A 53 7.151 -6.666 0.735 1.00 0.00 H new ATOM 0 HD22 LEU A 53 7.842 -5.721 -0.605 1.00 0.00 H new ATOM 0 HD23 LEU A 53 7.102 -7.308 -0.924 1.00 0.00 H new ATOM 821 N GLN A 54 11.601 -5.860 -3.823 1.00 0.00 N ATOM 822 CA GLN A 54 12.424 -5.985 -5.013 1.00 0.00 C ATOM 823 C GLN A 54 13.648 -5.055 -4.915 1.00 0.00 C ATOM 824 O GLN A 54 14.771 -5.477 -5.180 1.00 0.00 O ATOM 825 CB GLN A 54 11.556 -5.700 -6.259 1.00 0.00 C ATOM 826 CG GLN A 54 12.282 -5.807 -7.600 1.00 0.00 C ATOM 827 CD GLN A 54 13.011 -4.539 -8.017 1.00 0.00 C ATOM 828 OE1 GLN A 54 12.716 -3.433 -7.356 1.00 0.00 O flip ATOM 829 NE2 GLN A 54 13.786 -4.543 -8.970 1.00 0.00 N flip ATOM 0 H GLN A 54 10.955 -5.071 -3.848 1.00 0.00 H new ATOM 0 HA GLN A 54 12.812 -7.000 -5.102 1.00 0.00 H new ATOM 0 HB2 GLN A 54 10.716 -6.395 -6.263 1.00 0.00 H new ATOM 0 HB3 GLN A 54 11.139 -4.697 -6.169 1.00 0.00 H new ATOM 0 HG2 GLN A 54 13.000 -6.625 -7.547 1.00 0.00 H new ATOM 0 HG3 GLN A 54 11.558 -6.067 -8.372 1.00 0.00 H new ATOM 0 HE21 GLN A 54 13.991 -5.415 -9.457 1.00 0.00 H new ATOM 0 HE22 GLN A 54 14.225 -3.674 -9.274 1.00 0.00 H new ATOM 838 N ASN A 55 13.434 -3.817 -4.454 1.00 0.00 N ATOM 839 CA ASN A 55 14.541 -2.874 -4.233 1.00 0.00 C ATOM 840 C ASN A 55 15.212 -3.125 -2.892 1.00 0.00 C ATOM 841 O ASN A 55 14.561 -3.067 -1.857 1.00 0.00 O ATOM 842 CB ASN A 55 14.047 -1.419 -4.257 1.00 0.00 C ATOM 843 CG ASN A 55 13.431 -1.021 -5.578 1.00 0.00 C ATOM 844 OD1 ASN A 55 14.083 -1.062 -6.619 1.00 0.00 O ATOM 845 ND2 ASN A 55 12.175 -0.621 -5.542 1.00 0.00 N ATOM 0 H ASN A 55 12.512 -3.445 -4.228 1.00 0.00 H new ATOM 0 HA ASN A 55 15.255 -3.033 -5.041 1.00 0.00 H new ATOM 0 HB2 ASN A 55 13.312 -1.278 -3.464 1.00 0.00 H new ATOM 0 HB3 ASN A 55 14.883 -0.755 -4.039 1.00 0.00 H new ATOM 0 HD21 ASN A 55 11.708 -0.330 -6.401 1.00 0.00 H new ATOM 0 HD22 ASN A 55 11.671 -0.603 -4.656 1.00 0.00 H new ATOM 852 N PRO A 56 16.530 -3.342 -2.875 1.00 0.00 N ATOM 853 CA PRO A 56 17.267 -3.538 -1.627 1.00 0.00 C ATOM 854 C PRO A 56 17.266 -2.287 -0.742 1.00 0.00 C ATOM 855 O PRO A 56 17.159 -2.383 0.482 1.00 0.00 O ATOM 856 CB PRO A 56 18.687 -3.873 -2.094 1.00 0.00 C ATOM 857 CG PRO A 56 18.791 -3.304 -3.468 1.00 0.00 C ATOM 858 CD PRO A 56 17.409 -3.368 -4.057 1.00 0.00 C ATOM 0 HA PRO A 56 16.818 -4.316 -1.010 1.00 0.00 H new ATOM 0 HB2 PRO A 56 19.433 -3.437 -1.430 1.00 0.00 H new ATOM 0 HB3 PRO A 56 18.856 -4.950 -2.100 1.00 0.00 H new ATOM 0 HG2 PRO A 56 19.153 -2.276 -3.437 1.00 0.00 H new ATOM 0 HG3 PRO A 56 19.498 -3.873 -4.072 1.00 0.00 H new ATOM 0 HD2 PRO A 56 17.216 -2.524 -4.720 1.00 0.00 H new ATOM 0 HD3 PRO A 56 17.265 -4.275 -4.645 1.00 0.00 H new ATOM 866 N ASP A 57 17.496 -1.131 -1.357 1.00 0.00 N ATOM 867 CA ASP A 57 17.647 0.123 -0.613 1.00 0.00 C ATOM 868 C ASP A 57 16.329 0.596 -0.018 1.00 0.00 C ATOM 869 O ASP A 57 16.241 0.877 1.177 1.00 0.00 O ATOM 870 CB ASP A 57 18.192 1.227 -1.525 1.00 0.00 C ATOM 871 CG ASP A 57 19.538 0.896 -2.131 1.00 0.00 C ATOM 872 OD1 ASP A 57 19.635 -0.109 -2.866 1.00 0.00 O ATOM 873 OD2 ASP A 57 20.499 1.651 -1.897 1.00 0.00 O ATOM 0 H ASP A 57 17.583 -1.033 -2.369 1.00 0.00 H new ATOM 0 HA ASP A 57 18.347 -0.078 0.198 1.00 0.00 H new ATOM 0 HB2 ASP A 57 17.477 1.412 -2.326 1.00 0.00 H new ATOM 0 HB3 ASP A 57 18.277 2.151 -0.954 1.00 0.00 H new ATOM 878 N ILE A 58 15.336 0.761 -0.879 1.00 0.00 N ATOM 879 CA ILE A 58 14.043 1.300 -0.476 1.00 0.00 C ATOM 880 C ILE A 58 13.385 0.388 0.557 1.00 0.00 C ATOM 881 O ILE A 58 12.715 0.850 1.475 1.00 0.00 O ATOM 882 CB ILE A 58 13.117 1.487 -1.698 1.00 0.00 C ATOM 883 CG1 ILE A 58 13.861 2.227 -2.813 1.00 0.00 C ATOM 884 CG2 ILE A 58 11.880 2.278 -1.297 1.00 0.00 C ATOM 885 CD1 ILE A 58 13.036 2.424 -4.066 1.00 0.00 C ATOM 0 H ILE A 58 15.401 0.527 -1.870 1.00 0.00 H new ATOM 0 HA ILE A 58 14.209 2.278 -0.024 1.00 0.00 H new ATOM 0 HB ILE A 58 12.813 0.505 -2.061 1.00 0.00 H new ATOM 0 HG12 ILE A 58 14.180 3.201 -2.441 1.00 0.00 H new ATOM 0 HG13 ILE A 58 14.764 1.672 -3.066 1.00 0.00 H new ATOM 0 HG21 ILE A 58 11.232 2.405 -2.165 1.00 0.00 H new ATOM 0 HG22 ILE A 58 11.341 1.740 -0.518 1.00 0.00 H new ATOM 0 HG23 ILE A 58 12.180 3.256 -0.921 1.00 0.00 H new ATOM 0 HD11 ILE A 58 13.628 2.955 -4.812 1.00 0.00 H new ATOM 0 HD12 ILE A 58 12.739 1.453 -4.463 1.00 0.00 H new ATOM 0 HD13 ILE A 58 12.146 3.006 -3.828 1.00 0.00 H new ATOM 897 N ARG A 59 13.624 -0.909 0.409 1.00 0.00 N ATOM 898 CA ARG A 59 13.103 -1.924 1.322 1.00 0.00 C ATOM 899 C ARG A 59 13.425 -1.600 2.783 1.00 0.00 C ATOM 900 O ARG A 59 12.722 -2.047 3.682 1.00 0.00 O ATOM 901 CB ARG A 59 13.699 -3.288 0.965 1.00 0.00 C ATOM 902 CG ARG A 59 13.134 -4.453 1.763 1.00 0.00 C ATOM 903 CD ARG A 59 13.830 -5.758 1.406 1.00 0.00 C ATOM 904 NE ARG A 59 15.251 -5.728 1.750 1.00 0.00 N ATOM 905 CZ ARG A 59 16.102 -6.723 1.516 1.00 0.00 C ATOM 906 NH1 ARG A 59 15.698 -7.828 0.899 1.00 0.00 N ATOM 907 NH2 ARG A 59 17.361 -6.611 1.910 1.00 0.00 N ATOM 0 H ARG A 59 14.187 -1.290 -0.351 1.00 0.00 H new ATOM 0 HA ARG A 59 12.019 -1.941 1.213 1.00 0.00 H new ATOM 0 HB2 ARG A 59 13.533 -3.476 -0.096 1.00 0.00 H new ATOM 0 HB3 ARG A 59 14.778 -3.250 1.117 1.00 0.00 H new ATOM 0 HG2 ARG A 59 13.250 -4.256 2.829 1.00 0.00 H new ATOM 0 HG3 ARG A 59 12.065 -4.544 1.570 1.00 0.00 H new ATOM 0 HD2 ARG A 59 13.347 -6.583 1.930 1.00 0.00 H new ATOM 0 HD3 ARG A 59 13.718 -5.949 0.339 1.00 0.00 H new ATOM 0 HE ARG A 59 15.614 -4.887 2.200 1.00 0.00 H new ATOM 0 HH11 ARG A 59 14.727 -7.919 0.600 1.00 0.00 H new ATOM 0 HH12 ARG A 59 16.359 -8.585 0.724 1.00 0.00 H new ATOM 0 HH21 ARG A 59 17.672 -5.766 2.389 1.00 0.00 H new ATOM 0 HH22 ARG A 59 18.020 -7.370 1.734 1.00 0.00 H new ATOM 921 N ALA A 60 14.580 -0.991 3.018 1.00 0.00 N ATOM 922 CA ALA A 60 15.075 -0.807 4.375 1.00 0.00 C ATOM 923 C ALA A 60 14.568 0.472 5.063 1.00 0.00 C ATOM 924 O ALA A 60 14.492 0.504 6.285 1.00 0.00 O ATOM 925 CB ALA A 60 16.595 -0.837 4.374 1.00 0.00 C ATOM 0 H ALA A 60 15.189 -0.618 2.290 1.00 0.00 H new ATOM 0 HA ALA A 60 14.676 -1.635 4.961 1.00 0.00 H new ATOM 0 HB1 ALA A 60 16.962 -0.699 5.391 1.00 0.00 H new ATOM 0 HB2 ALA A 60 16.940 -1.797 3.991 1.00 0.00 H new ATOM 0 HB3 ALA A 60 16.974 -0.036 3.739 1.00 0.00 H new ATOM 931 N GLU A 61 14.525 1.580 4.331 1.00 0.00 N ATOM 932 CA GLU A 61 14.388 2.902 4.964 1.00 0.00 C ATOM 933 C GLU A 61 12.978 3.270 5.432 1.00 0.00 C ATOM 934 O GLU A 61 12.794 3.615 6.603 1.00 0.00 O ATOM 935 CB GLU A 61 14.879 4.001 4.016 1.00 0.00 C ATOM 936 CG GLU A 61 16.351 4.380 4.158 1.00 0.00 C ATOM 937 CD GLU A 61 17.331 3.281 3.798 1.00 0.00 C ATOM 938 OE1 GLU A 61 17.304 2.215 4.437 1.00 0.00 O ATOM 939 OE2 GLU A 61 18.166 3.506 2.894 1.00 0.00 O ATOM 0 H GLU A 61 14.582 1.598 3.313 1.00 0.00 H new ATOM 0 HA GLU A 61 15.002 2.830 5.862 1.00 0.00 H new ATOM 0 HB2 GLU A 61 14.702 3.678 2.990 1.00 0.00 H new ATOM 0 HB3 GLU A 61 14.274 4.893 4.178 1.00 0.00 H new ATOM 0 HG2 GLU A 61 16.551 5.246 3.527 1.00 0.00 H new ATOM 0 HG3 GLU A 61 16.534 4.687 5.188 1.00 0.00 H new ATOM 946 N LEU A 62 12.019 3.350 4.515 1.00 0.00 N ATOM 947 CA LEU A 62 10.693 3.867 4.873 1.00 0.00 C ATOM 948 C LEU A 62 9.874 2.914 5.752 1.00 0.00 C ATOM 949 O LEU A 62 9.090 3.385 6.567 1.00 0.00 O ATOM 950 CB LEU A 62 9.833 4.268 3.673 1.00 0.00 C ATOM 951 CG LEU A 62 9.368 3.122 2.785 1.00 0.00 C ATOM 952 CD1 LEU A 62 8.149 3.533 1.988 1.00 0.00 C ATOM 953 CD2 LEU A 62 10.477 2.718 1.849 1.00 0.00 C ATOM 0 H LEU A 62 12.125 3.072 3.539 1.00 0.00 H new ATOM 0 HA LEU A 62 10.935 4.762 5.446 1.00 0.00 H new ATOM 0 HB2 LEU A 62 8.955 4.799 4.040 1.00 0.00 H new ATOM 0 HB3 LEU A 62 10.399 4.971 3.062 1.00 0.00 H new ATOM 0 HG LEU A 62 9.103 2.275 3.418 1.00 0.00 H new ATOM 0 HD11 LEU A 62 7.829 2.703 1.358 1.00 0.00 H new ATOM 0 HD12 LEU A 62 7.343 3.803 2.670 1.00 0.00 H new ATOM 0 HD13 LEU A 62 8.396 4.390 1.361 1.00 0.00 H new ATOM 0 HD21 LEU A 62 10.138 1.898 1.216 1.00 0.00 H new ATOM 0 HD22 LEU A 62 10.754 3.568 1.225 1.00 0.00 H new ATOM 0 HD23 LEU A 62 11.343 2.396 2.428 1.00 0.00 H new ATOM 965 N PRO A 63 9.976 1.576 5.605 1.00 0.00 N ATOM 966 CA PRO A 63 9.173 0.657 6.415 1.00 0.00 C ATOM 967 C PRO A 63 9.392 0.911 7.891 1.00 0.00 C ATOM 968 O PRO A 63 8.442 0.928 8.683 1.00 0.00 O ATOM 969 CB PRO A 63 9.695 -0.725 6.024 1.00 0.00 C ATOM 970 CG PRO A 63 11.005 -0.463 5.378 1.00 0.00 C ATOM 971 CD PRO A 63 10.828 0.832 4.668 1.00 0.00 C ATOM 0 HA PRO A 63 8.103 0.770 6.243 1.00 0.00 H new ATOM 0 HB2 PRO A 63 9.805 -1.368 6.897 1.00 0.00 H new ATOM 0 HB3 PRO A 63 9.010 -1.229 5.341 1.00 0.00 H new ATOM 0 HG2 PRO A 63 11.805 -0.403 6.116 1.00 0.00 H new ATOM 0 HG3 PRO A 63 11.270 -1.261 4.685 1.00 0.00 H new ATOM 0 HD2 PRO A 63 11.779 1.335 4.493 1.00 0.00 H new ATOM 0 HD3 PRO A 63 10.351 0.703 3.696 1.00 0.00 H new ATOM 979 N LYS A 64 10.646 1.200 8.225 1.00 0.00 N ATOM 980 CA LYS A 64 11.025 1.560 9.577 1.00 0.00 C ATOM 981 C LYS A 64 10.170 2.720 10.059 1.00 0.00 C ATOM 982 O LYS A 64 9.790 2.785 11.227 1.00 0.00 O ATOM 983 CB LYS A 64 12.497 1.971 9.635 1.00 0.00 C ATOM 984 CG LYS A 64 13.441 0.994 8.954 1.00 0.00 C ATOM 985 CD LYS A 64 14.907 1.288 9.263 1.00 0.00 C ATOM 986 CE LYS A 64 15.423 2.564 8.602 1.00 0.00 C ATOM 987 NZ LYS A 64 14.793 3.802 9.133 1.00 0.00 N ATOM 0 H LYS A 64 11.423 1.190 7.564 1.00 0.00 H new ATOM 0 HA LYS A 64 10.872 0.691 10.217 1.00 0.00 H new ATOM 0 HB2 LYS A 64 12.608 2.951 9.170 1.00 0.00 H new ATOM 0 HB3 LYS A 64 12.793 2.078 10.679 1.00 0.00 H new ATOM 0 HG2 LYS A 64 13.202 -0.020 9.273 1.00 0.00 H new ATOM 0 HG3 LYS A 64 13.285 1.034 7.876 1.00 0.00 H new ATOM 0 HD2 LYS A 64 15.033 1.370 10.343 1.00 0.00 H new ATOM 0 HD3 LYS A 64 15.516 0.446 8.934 1.00 0.00 H new ATOM 0 HE2 LYS A 64 16.502 2.626 8.742 1.00 0.00 H new ATOM 0 HE3 LYS A 64 15.244 2.506 7.528 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 15.510 4.552 9.207 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 14.035 4.109 8.490 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 14.393 3.612 10.074 1.00 0.00 H new ATOM 1001 N TYR A 65 9.908 3.658 9.153 1.00 0.00 N ATOM 1002 CA TYR A 65 9.142 4.839 9.490 1.00 0.00 C ATOM 1003 C TYR A 65 7.677 4.481 9.726 1.00 0.00 C ATOM 1004 O TYR A 65 7.032 5.096 10.576 1.00 0.00 O ATOM 1005 CB TYR A 65 9.329 5.968 8.428 1.00 0.00 C ATOM 1006 CG TYR A 65 8.191 6.224 7.435 1.00 0.00 C ATOM 1007 CD1 TYR A 65 6.905 6.529 7.870 1.00 0.00 C ATOM 1008 CD2 TYR A 65 8.417 6.196 6.058 1.00 0.00 C ATOM 1009 CE1 TYR A 65 5.889 6.796 6.981 1.00 0.00 C ATOM 1010 CE2 TYR A 65 7.393 6.459 5.161 1.00 0.00 C ATOM 1011 CZ TYR A 65 6.137 6.759 5.633 1.00 0.00 C ATOM 1012 OH TYR A 65 5.124 7.046 4.755 1.00 0.00 O ATOM 0 H TYR A 65 10.218 3.617 8.182 1.00 0.00 H new ATOM 0 HA TYR A 65 9.526 5.243 10.427 1.00 0.00 H new ATOM 0 HB2 TYR A 65 9.521 6.899 8.962 1.00 0.00 H new ATOM 0 HB3 TYR A 65 10.227 5.739 7.854 1.00 0.00 H new ATOM 0 HD1 TYR A 65 6.699 6.557 8.930 1.00 0.00 H new ATOM 0 HD2 TYR A 65 9.404 5.966 5.686 1.00 0.00 H new ATOM 0 HE1 TYR A 65 4.900 7.034 7.344 1.00 0.00 H new ATOM 0 HE2 TYR A 65 7.581 6.428 4.098 1.00 0.00 H new ATOM 0 HH TYR A 65 4.360 6.459 4.934 1.00 0.00 H new ATOM 1022 N ALA A 66 7.109 3.548 8.936 1.00 0.00 N ATOM 1023 CA ALA A 66 5.696 3.261 9.085 1.00 0.00 C ATOM 1024 C ALA A 66 5.436 2.533 10.385 1.00 0.00 C ATOM 1025 O ALA A 66 4.772 3.057 11.279 1.00 0.00 O ATOM 1026 CB ALA A 66 5.235 2.399 7.929 1.00 0.00 C ATOM 0 H ALA A 66 7.595 3.008 8.220 1.00 0.00 H new ATOM 0 HA ALA A 66 5.146 4.202 9.093 1.00 0.00 H new ATOM 0 HB1 ALA A 66 4.173 2.181 8.038 1.00 0.00 H new ATOM 0 HB2 ALA A 66 5.402 2.928 6.991 1.00 0.00 H new ATOM 0 HB3 ALA A 66 5.798 1.466 7.924 1.00 0.00 H new ATOM 1032 N ASN A 67 6.146 1.435 10.563 1.00 0.00 N ATOM 1033 CA ASN A 67 6.193 0.750 11.837 1.00 0.00 C ATOM 1034 C ASN A 67 7.237 -0.347 11.779 1.00 0.00 C ATOM 1035 O ASN A 67 8.004 -0.554 12.720 1.00 0.00 O ATOM 1036 CB ASN A 67 4.820 0.161 12.197 1.00 0.00 C ATOM 1037 CG ASN A 67 4.799 -0.542 13.547 1.00 0.00 C ATOM 1038 OD1 ASN A 67 5.534 -1.499 13.783 1.00 0.00 O ATOM 1039 ND2 ASN A 67 3.926 -0.096 14.432 1.00 0.00 N ATOM 0 H ASN A 67 6.704 0.996 9.831 1.00 0.00 H new ATOM 0 HA ASN A 67 6.461 1.468 12.612 1.00 0.00 H new ATOM 0 HB2 ASN A 67 4.079 0.961 12.201 1.00 0.00 H new ATOM 0 HB3 ASN A 67 4.522 -0.546 11.423 1.00 0.00 H new ATOM 0 HD21 ASN A 67 3.847 -0.548 15.343 1.00 0.00 H new ATOM 0 HD22 ASN A 67 3.331 0.701 14.205 1.00 0.00 H new ATOM 1046 N TRP A 68 7.074 -1.200 10.769 1.00 0.00 N ATOM 1047 CA TRP A 68 7.804 -2.443 10.728 1.00 0.00 C ATOM 1048 C TRP A 68 8.945 -2.472 9.722 1.00 0.00 C ATOM 1049 O TRP A 68 8.904 -1.785 8.714 1.00 0.00 O ATOM 1050 CB TRP A 68 6.864 -3.624 10.606 1.00 0.00 C ATOM 1051 CG TRP A 68 5.973 -3.726 9.420 1.00 0.00 C ATOM 1052 CD1 TRP A 68 6.168 -4.488 8.323 1.00 0.00 C ATOM 1053 CD2 TRP A 68 4.725 -3.086 9.258 1.00 0.00 C ATOM 1054 NE1 TRP A 68 5.051 -4.432 7.510 1.00 0.00 N ATOM 1055 CE2 TRP A 68 4.155 -3.560 8.067 1.00 0.00 C ATOM 1056 CE3 TRP A 68 4.030 -2.172 10.024 1.00 0.00 C ATOM 1057 CZ2 TRP A 68 2.895 -3.155 7.641 1.00 0.00 C ATOM 1058 CZ3 TRP A 68 2.790 -1.764 9.601 1.00 0.00 C ATOM 1059 CH2 TRP A 68 2.228 -2.265 8.426 1.00 0.00 C ATOM 0 H TRP A 68 6.446 -1.046 9.980 1.00 0.00 H new ATOM 0 HA TRP A 68 8.312 -2.528 11.689 1.00 0.00 H new ATOM 0 HB2 TRP A 68 7.470 -4.530 10.639 1.00 0.00 H new ATOM 0 HB3 TRP A 68 6.231 -3.631 11.493 1.00 0.00 H new ATOM 0 HD1 TRP A 68 7.062 -5.056 8.112 1.00 0.00 H new ATOM 0 HE1 TRP A 68 4.917 -4.952 6.643 1.00 0.00 H new ATOM 0 HE3 TRP A 68 4.454 -1.785 10.939 1.00 0.00 H new ATOM 0 HZ2 TRP A 68 2.463 -3.531 6.725 1.00 0.00 H new ATOM 0 HZ3 TRP A 68 2.240 -1.043 10.187 1.00 0.00 H new ATOM 0 HH2 TRP A 68 1.241 -1.939 8.133 1.00 0.00 H new ATOM 1070 N PRO A 69 10.041 -3.175 10.095 1.00 0.00 N ATOM 1071 CA PRO A 69 11.316 -3.209 9.358 1.00 0.00 C ATOM 1072 C PRO A 69 11.206 -3.288 7.839 1.00 0.00 C ATOM 1073 O PRO A 69 12.027 -2.699 7.140 1.00 0.00 O ATOM 1074 CB PRO A 69 11.967 -4.473 9.902 1.00 0.00 C ATOM 1075 CG PRO A 69 11.542 -4.517 11.327 1.00 0.00 C ATOM 1076 CD PRO A 69 10.169 -3.891 11.385 1.00 0.00 C ATOM 0 HA PRO A 69 11.867 -2.281 9.508 1.00 0.00 H new ATOM 0 HB2 PRO A 69 11.634 -5.358 9.359 1.00 0.00 H new ATOM 0 HB3 PRO A 69 13.052 -4.433 9.811 1.00 0.00 H new ATOM 0 HG2 PRO A 69 11.516 -5.544 11.692 1.00 0.00 H new ATOM 0 HG3 PRO A 69 12.244 -3.972 11.958 1.00 0.00 H new ATOM 0 HD2 PRO A 69 9.392 -4.646 11.500 1.00 0.00 H new ATOM 0 HD3 PRO A 69 10.078 -3.209 12.230 1.00 0.00 H new ATOM 1084 N THR A 70 10.234 -4.021 7.319 1.00 0.00 N ATOM 1085 CA THR A 70 10.095 -4.152 5.878 1.00 0.00 C ATOM 1086 C THR A 70 8.630 -4.122 5.455 1.00 0.00 C ATOM 1087 O THR A 70 7.906 -3.179 5.775 1.00 0.00 O ATOM 1088 CB THR A 70 10.777 -5.431 5.350 1.00 0.00 C ATOM 1089 OG1 THR A 70 10.357 -6.567 6.113 1.00 0.00 O ATOM 1090 CG2 THR A 70 12.292 -5.306 5.394 1.00 0.00 C ATOM 0 H THR A 70 9.538 -4.528 7.865 1.00 0.00 H new ATOM 0 HA THR A 70 10.600 -3.294 5.434 1.00 0.00 H new ATOM 0 HB THR A 70 10.477 -5.566 4.311 1.00 0.00 H new ATOM 0 HG1 THR A 70 10.795 -7.373 5.768 1.00 0.00 H new ATOM 0 HG21 THR A 70 12.744 -6.223 5.016 1.00 0.00 H new ATOM 0 HG22 THR A 70 12.606 -4.465 4.776 1.00 0.00 H new ATOM 0 HG23 THR A 70 12.614 -5.140 6.422 1.00 0.00 H new ATOM 1098 N PHE A 71 8.244 -5.052 4.599 1.00 0.00 N ATOM 1099 CA PHE A 71 6.931 -5.002 3.977 1.00 0.00 C ATOM 1100 C PHE A 71 6.355 -6.421 3.862 1.00 0.00 C ATOM 1101 O PHE A 71 6.971 -7.367 4.363 1.00 0.00 O ATOM 1102 CB PHE A 71 7.060 -4.358 2.586 1.00 0.00 C ATOM 1103 CG PHE A 71 7.759 -3.021 2.563 1.00 0.00 C ATOM 1104 CD1 PHE A 71 9.141 -2.943 2.483 1.00 0.00 C ATOM 1105 CD2 PHE A 71 7.036 -1.841 2.615 1.00 0.00 C ATOM 1106 CE1 PHE A 71 9.779 -1.722 2.448 1.00 0.00 C ATOM 1107 CE2 PHE A 71 7.675 -0.617 2.587 1.00 0.00 C ATOM 1108 CZ PHE A 71 9.043 -0.559 2.501 1.00 0.00 C ATOM 0 H PHE A 71 8.817 -5.848 4.319 1.00 0.00 H new ATOM 0 HA PHE A 71 6.254 -4.405 4.587 1.00 0.00 H new ATOM 0 HB2 PHE A 71 7.600 -5.044 1.933 1.00 0.00 H new ATOM 0 HB3 PHE A 71 6.062 -4.236 2.165 1.00 0.00 H new ATOM 0 HD1 PHE A 71 9.725 -3.851 2.448 1.00 0.00 H new ATOM 0 HD2 PHE A 71 5.959 -1.878 2.678 1.00 0.00 H new ATOM 0 HE1 PHE A 71 10.856 -1.677 2.379 1.00 0.00 H new ATOM 0 HE2 PHE A 71 7.098 0.295 2.633 1.00 0.00 H new ATOM 0 HZ PHE A 71 9.543 0.398 2.475 1.00 0.00 H new ATOM 1118 N PRO A 72 5.187 -6.630 3.204 1.00 0.00 N ATOM 1119 CA PRO A 72 4.362 -5.578 2.564 1.00 0.00 C ATOM 1120 C PRO A 72 3.750 -4.586 3.546 1.00 0.00 C ATOM 1121 O PRO A 72 3.737 -4.811 4.760 1.00 0.00 O ATOM 1122 CB PRO A 72 3.248 -6.364 1.872 1.00 0.00 C ATOM 1123 CG PRO A 72 3.164 -7.642 2.629 1.00 0.00 C ATOM 1124 CD PRO A 72 4.570 -7.958 3.043 1.00 0.00 C ATOM 0 HA PRO A 72 4.973 -4.967 1.900 1.00 0.00 H new ATOM 0 HB2 PRO A 72 2.303 -5.822 1.903 1.00 0.00 H new ATOM 0 HB3 PRO A 72 3.481 -6.540 0.822 1.00 0.00 H new ATOM 0 HG2 PRO A 72 2.513 -7.541 3.497 1.00 0.00 H new ATOM 0 HG3 PRO A 72 2.749 -8.438 2.010 1.00 0.00 H new ATOM 0 HD2 PRO A 72 4.597 -8.528 3.972 1.00 0.00 H new ATOM 0 HD3 PRO A 72 5.087 -8.552 2.289 1.00 0.00 H new ATOM 1132 N GLN A 73 3.137 -3.550 2.992 1.00 0.00 N ATOM 1133 CA GLN A 73 2.399 -2.586 3.775 1.00 0.00 C ATOM 1134 C GLN A 73 1.434 -1.816 2.893 1.00 0.00 C ATOM 1135 O GLN A 73 1.780 -1.352 1.806 1.00 0.00 O ATOM 1136 CB GLN A 73 3.322 -1.621 4.511 1.00 0.00 C ATOM 1137 CG GLN A 73 4.195 -0.769 3.626 1.00 0.00 C ATOM 1138 CD GLN A 73 5.119 0.131 4.434 1.00 0.00 C ATOM 1139 OE1 GLN A 73 5.744 1.037 3.896 1.00 0.00 O ATOM 1140 NE2 GLN A 73 5.233 -0.133 5.726 1.00 0.00 N ATOM 0 H GLN A 73 3.141 -3.360 1.990 1.00 0.00 H new ATOM 0 HA GLN A 73 1.836 -3.141 4.526 1.00 0.00 H new ATOM 0 HB2 GLN A 73 2.714 -0.965 5.134 1.00 0.00 H new ATOM 0 HB3 GLN A 73 3.962 -2.195 5.181 1.00 0.00 H new ATOM 0 HG2 GLN A 73 4.791 -1.411 2.977 1.00 0.00 H new ATOM 0 HG3 GLN A 73 3.567 -0.157 2.979 1.00 0.00 H new ATOM 0 HE21 GLN A 73 4.697 -0.896 6.140 1.00 0.00 H new ATOM 0 HE22 GLN A 73 5.857 0.426 6.308 1.00 0.00 H new ATOM 1149 N LEU A 74 0.215 -1.723 3.375 1.00 0.00 N ATOM 1150 CA LEU A 74 -0.858 -1.041 2.674 1.00 0.00 C ATOM 1151 C LEU A 74 -0.981 0.377 3.206 1.00 0.00 C ATOM 1152 O LEU A 74 -0.916 0.593 4.418 1.00 0.00 O ATOM 1153 CB LEU A 74 -2.158 -1.844 2.855 1.00 0.00 C ATOM 1154 CG LEU A 74 -3.420 -1.358 2.112 1.00 0.00 C ATOM 1155 CD1 LEU A 74 -3.984 -0.075 2.703 1.00 0.00 C ATOM 1156 CD2 LEU A 74 -3.119 -1.168 0.638 1.00 0.00 C ATOM 0 H LEU A 74 -0.065 -2.121 4.272 1.00 0.00 H new ATOM 0 HA LEU A 74 -0.648 -0.975 1.606 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -1.962 -2.870 2.544 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -2.388 -1.872 3.920 1.00 0.00 H new ATOM 0 HG LEU A 74 -4.181 -2.129 2.232 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -4.871 0.224 2.144 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -4.252 -0.242 3.746 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -3.234 0.714 2.643 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -4.017 -0.825 0.124 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -2.328 -0.427 0.521 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -2.795 -2.116 0.208 1.00 0.00 H new ATOM 1168 N TRP A 75 -1.170 1.327 2.305 1.00 0.00 N ATOM 1169 CA TRP A 75 -1.327 2.717 2.683 1.00 0.00 C ATOM 1170 C TRP A 75 -2.602 3.292 2.091 1.00 0.00 C ATOM 1171 O TRP A 75 -2.800 3.298 0.876 1.00 0.00 O ATOM 1172 CB TRP A 75 -0.132 3.544 2.224 1.00 0.00 C ATOM 1173 CG TRP A 75 1.154 3.127 2.857 1.00 0.00 C ATOM 1174 CD1 TRP A 75 1.885 2.004 2.606 1.00 0.00 C ATOM 1175 CD2 TRP A 75 1.821 3.816 3.903 1.00 0.00 C ATOM 1176 NE1 TRP A 75 2.993 1.981 3.417 1.00 0.00 N ATOM 1177 CE2 TRP A 75 2.971 3.087 4.225 1.00 0.00 C ATOM 1178 CE3 TRP A 75 1.556 4.994 4.587 1.00 0.00 C ATOM 1179 CZ2 TRP A 75 3.855 3.505 5.212 1.00 0.00 C ATOM 1180 CZ3 TRP A 75 2.431 5.406 5.568 1.00 0.00 C ATOM 1181 CH2 TRP A 75 3.567 4.663 5.870 1.00 0.00 C ATOM 0 H TRP A 75 -1.218 1.156 1.301 1.00 0.00 H new ATOM 0 HA TRP A 75 -1.388 2.760 3.770 1.00 0.00 H new ATOM 0 HB2 TRP A 75 -0.038 3.464 1.141 1.00 0.00 H new ATOM 0 HB3 TRP A 75 -0.317 4.594 2.451 1.00 0.00 H new ATOM 0 HD1 TRP A 75 1.631 1.247 1.879 1.00 0.00 H new ATOM 0 HE1 TRP A 75 3.714 1.259 3.418 1.00 0.00 H new ATOM 0 HE3 TRP A 75 0.678 5.578 4.354 1.00 0.00 H new ATOM 0 HZ2 TRP A 75 4.739 2.932 5.449 1.00 0.00 H new ATOM 0 HZ3 TRP A 75 2.232 6.319 6.110 1.00 0.00 H new ATOM 0 HH2 TRP A 75 4.236 5.011 6.643 1.00 0.00 H new ATOM 1192 N VAL A 76 -3.420 3.849 2.959 1.00 0.00 N ATOM 1193 CA VAL A 76 -4.639 4.524 2.552 1.00 0.00 C ATOM 1194 C VAL A 76 -4.445 6.026 2.703 1.00 0.00 C ATOM 1195 O VAL A 76 -4.165 6.490 3.806 1.00 0.00 O ATOM 1196 CB VAL A 76 -5.829 4.072 3.431 1.00 0.00 C ATOM 1197 CG1 VAL A 76 -7.112 4.767 3.028 1.00 0.00 C ATOM 1198 CG2 VAL A 76 -6.004 2.567 3.372 1.00 0.00 C ATOM 0 H VAL A 76 -3.261 3.848 3.966 1.00 0.00 H new ATOM 0 HA VAL A 76 -4.856 4.272 1.514 1.00 0.00 H new ATOM 0 HB VAL A 76 -5.601 4.356 4.458 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -7.927 4.425 3.666 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -6.992 5.845 3.138 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -7.342 4.532 1.989 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -6.847 2.274 3.998 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -6.194 2.263 2.343 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -5.098 2.081 3.733 1.00 0.00 H new ATOM 1208 N ASP A 77 -4.563 6.774 1.602 1.00 0.00 N ATOM 1209 CA ASP A 77 -4.369 8.234 1.626 1.00 0.00 C ATOM 1210 C ASP A 77 -2.991 8.577 2.202 1.00 0.00 C ATOM 1211 O ASP A 77 -2.761 9.630 2.798 1.00 0.00 O ATOM 1212 CB ASP A 77 -5.474 8.853 2.464 1.00 0.00 C ATOM 1213 CG ASP A 77 -5.408 10.365 2.582 1.00 0.00 C ATOM 1214 OD1 ASP A 77 -5.501 11.053 1.550 1.00 0.00 O ATOM 1215 OD2 ASP A 77 -5.268 10.878 3.710 1.00 0.00 O ATOM 0 H ASP A 77 -4.791 6.397 0.682 1.00 0.00 H new ATOM 0 HA ASP A 77 -4.413 8.634 0.613 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -6.436 8.577 2.033 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -5.438 8.422 3.464 1.00 0.00 H new ATOM 1220 N GLY A 78 -2.080 7.657 2.005 1.00 0.00 N ATOM 1221 CA GLY A 78 -0.726 7.823 2.489 1.00 0.00 C ATOM 1222 C GLY A 78 -0.590 7.557 3.979 1.00 0.00 C ATOM 1223 O GLY A 78 0.294 8.110 4.635 1.00 0.00 O ATOM 0 H GLY A 78 -2.249 6.781 1.511 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -0.066 7.148 1.944 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -0.392 8.838 2.275 1.00 0.00 H new ATOM 1227 N GLU A 79 -1.436 6.676 4.505 1.00 0.00 N ATOM 1228 CA GLU A 79 -1.373 6.294 5.912 1.00 0.00 C ATOM 1229 C GLU A 79 -1.281 4.780 6.068 1.00 0.00 C ATOM 1230 O GLU A 79 -1.955 4.033 5.359 1.00 0.00 O ATOM 1231 CB GLU A 79 -2.566 6.832 6.700 1.00 0.00 C ATOM 1232 CG GLU A 79 -2.592 8.348 6.813 1.00 0.00 C ATOM 1233 CD GLU A 79 -3.663 8.834 7.765 1.00 0.00 C ATOM 1234 OE1 GLU A 79 -3.657 8.391 8.930 1.00 0.00 O ATOM 1235 OE2 GLU A 79 -4.482 9.692 7.376 1.00 0.00 O ATOM 0 H GLU A 79 -2.175 6.212 3.976 1.00 0.00 H new ATOM 0 HA GLU A 79 -0.468 6.743 6.322 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -3.486 6.497 6.222 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -2.552 6.402 7.702 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -1.619 8.702 7.153 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -2.762 8.781 5.827 1.00 0.00 H new ATOM 1242 N LEU A 80 -0.361 4.348 6.930 1.00 0.00 N ATOM 1243 CA LEU A 80 -0.062 2.936 7.121 1.00 0.00 C ATOM 1244 C LEU A 80 -1.254 2.165 7.677 1.00 0.00 C ATOM 1245 O LEU A 80 -1.886 2.578 8.649 1.00 0.00 O ATOM 1246 CB LEU A 80 1.131 2.782 8.069 1.00 0.00 C ATOM 1247 CG LEU A 80 1.487 1.343 8.433 1.00 0.00 C ATOM 1248 CD1 LEU A 80 2.174 0.622 7.281 1.00 0.00 C ATOM 1249 CD2 LEU A 80 2.347 1.313 9.687 1.00 0.00 C ATOM 0 H LEU A 80 0.197 4.971 7.514 1.00 0.00 H new ATOM 0 HA LEU A 80 0.177 2.519 6.143 1.00 0.00 H new ATOM 0 HB2 LEU A 80 2.002 3.251 7.611 1.00 0.00 H new ATOM 0 HB3 LEU A 80 0.919 3.331 8.987 1.00 0.00 H new ATOM 0 HG LEU A 80 0.558 0.810 8.635 1.00 0.00 H new ATOM 0 HD11 LEU A 80 2.411 -0.399 7.580 1.00 0.00 H new ATOM 0 HD12 LEU A 80 1.510 0.602 6.417 1.00 0.00 H new ATOM 0 HD13 LEU A 80 3.093 1.146 7.020 1.00 0.00 H new ATOM 0 HD21 LEU A 80 2.593 0.280 9.935 1.00 0.00 H new ATOM 0 HD22 LEU A 80 3.266 1.873 9.512 1.00 0.00 H new ATOM 0 HD23 LEU A 80 1.799 1.764 10.515 1.00 0.00 H new ATOM 1261 N VAL A 81 -1.492 1.002 7.098 1.00 0.00 N ATOM 1262 CA VAL A 81 -2.530 0.103 7.562 1.00 0.00 C ATOM 1263 C VAL A 81 -1.926 -1.269 7.872 1.00 0.00 C ATOM 1264 O VAL A 81 -2.096 -1.805 8.963 1.00 0.00 O ATOM 1265 CB VAL A 81 -3.647 -0.039 6.496 1.00 0.00 C ATOM 1266 CG1 VAL A 81 -4.702 -1.046 6.923 1.00 0.00 C ATOM 1267 CG2 VAL A 81 -4.295 1.308 6.213 1.00 0.00 C ATOM 0 H VAL A 81 -0.970 0.655 6.293 1.00 0.00 H new ATOM 0 HA VAL A 81 -2.970 0.517 8.469 1.00 0.00 H new ATOM 0 HB VAL A 81 -3.180 -0.406 5.582 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -5.469 -1.119 6.152 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -4.237 -2.021 7.066 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -5.158 -0.721 7.858 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -5.076 1.186 5.462 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -4.732 1.701 7.131 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -3.542 2.004 5.843 1.00 0.00 H new ATOM 1277 N GLY A 82 -1.195 -1.807 6.903 1.00 0.00 N ATOM 1278 CA GLY A 82 -0.538 -3.102 7.053 1.00 0.00 C ATOM 1279 C GLY A 82 -0.737 -3.950 5.818 1.00 0.00 C ATOM 1280 O GLY A 82 -1.759 -3.821 5.154 1.00 0.00 O ATOM 0 H GLY A 82 -1.041 -1.363 5.998 1.00 0.00 H new ATOM 0 HA2 GLY A 82 0.527 -2.956 7.232 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -0.939 -3.620 7.924 1.00 0.00 H new ATOM 1284 N GLY A 83 0.325 -4.593 5.368 1.00 0.00 N ATOM 1285 CA GLY A 83 0.302 -5.178 4.038 1.00 0.00 C ATOM 1286 C GLY A 83 -0.316 -6.562 3.924 1.00 0.00 C ATOM 1287 O GLY A 83 -1.174 -6.777 3.078 1.00 0.00 O ATOM 0 H GLY A 83 1.194 -4.722 5.887 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -0.243 -4.504 3.377 1.00 0.00 H new ATOM 0 HA3 GLY A 83 1.326 -5.229 3.668 1.00 0.00 H new ATOM 1291 N CYS A 84 0.263 -7.543 4.597 1.00 0.00 N ATOM 1292 CA CYS A 84 -0.124 -8.931 4.337 1.00 0.00 C ATOM 1293 C CYS A 84 -1.428 -9.340 5.034 1.00 0.00 C ATOM 1294 O CYS A 84 -2.419 -9.666 4.379 1.00 0.00 O ATOM 1295 CB CYS A 84 1.022 -9.875 4.714 1.00 0.00 C ATOM 1296 SG CYS A 84 1.631 -9.677 6.406 1.00 0.00 S ATOM 0 H CYS A 84 0.983 -7.417 5.309 1.00 0.00 H new ATOM 0 HA CYS A 84 -0.322 -9.010 3.268 1.00 0.00 H new ATOM 0 HB2 CYS A 84 0.688 -10.904 4.580 1.00 0.00 H new ATOM 0 HB3 CYS A 84 1.849 -9.716 4.023 1.00 0.00 H new ATOM 0 HG CYS A 84 2.595 -10.522 6.622 1.00 0.00 H new ATOM 1302 N ASP A 85 -1.379 -9.407 6.356 1.00 0.00 N ATOM 1303 CA ASP A 85 -2.501 -9.883 7.169 1.00 0.00 C ATOM 1304 C ASP A 85 -3.570 -8.816 7.282 1.00 0.00 C ATOM 1305 O ASP A 85 -4.768 -9.101 7.236 1.00 0.00 O ATOM 1306 CB ASP A 85 -1.970 -10.255 8.562 1.00 0.00 C ATOM 1307 CG ASP A 85 -2.991 -10.934 9.461 1.00 0.00 C ATOM 1308 OD1 ASP A 85 -4.048 -10.345 9.748 1.00 0.00 O ATOM 1309 OD2 ASP A 85 -2.717 -12.062 9.913 1.00 0.00 O ATOM 0 H ASP A 85 -0.561 -9.134 6.901 1.00 0.00 H new ATOM 0 HA ASP A 85 -2.951 -10.756 6.696 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -1.110 -10.915 8.446 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -1.614 -9.351 9.055 1.00 0.00 H new ATOM 1314 N ILE A 86 -3.112 -7.606 7.539 1.00 0.00 N ATOM 1315 CA ILE A 86 -3.990 -6.483 7.806 1.00 0.00 C ATOM 1316 C ILE A 86 -4.988 -6.253 6.672 1.00 0.00 C ATOM 1317 O ILE A 86 -6.179 -6.053 6.920 1.00 0.00 O ATOM 1318 CB ILE A 86 -3.168 -5.202 8.046 1.00 0.00 C ATOM 1319 CG1 ILE A 86 -2.185 -5.402 9.206 1.00 0.00 C ATOM 1320 CG2 ILE A 86 -4.096 -4.037 8.333 1.00 0.00 C ATOM 1321 CD1 ILE A 86 -2.849 -5.722 10.527 1.00 0.00 C ATOM 0 H ILE A 86 -2.119 -7.374 7.569 1.00 0.00 H new ATOM 0 HA ILE A 86 -4.557 -6.725 8.705 1.00 0.00 H new ATOM 0 HB ILE A 86 -2.594 -4.981 7.146 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -1.498 -6.209 8.951 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -1.586 -4.498 9.321 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -3.507 -3.136 8.501 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -4.760 -3.883 7.483 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -4.689 -4.254 9.222 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -2.087 -5.849 11.296 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -3.515 -4.905 10.807 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -3.425 -6.643 10.431 1.00 0.00 H new ATOM 1333 N VAL A 87 -4.504 -6.278 5.433 1.00 0.00 N ATOM 1334 CA VAL A 87 -5.366 -6.062 4.276 1.00 0.00 C ATOM 1335 C VAL A 87 -6.500 -7.079 4.219 1.00 0.00 C ATOM 1336 O VAL A 87 -7.655 -6.701 4.057 1.00 0.00 O ATOM 1337 CB VAL A 87 -4.574 -6.105 2.951 1.00 0.00 C ATOM 1338 CG1 VAL A 87 -5.505 -6.014 1.750 1.00 0.00 C ATOM 1339 CG2 VAL A 87 -3.572 -4.970 2.907 1.00 0.00 C ATOM 0 H VAL A 87 -3.524 -6.445 5.206 1.00 0.00 H new ATOM 0 HA VAL A 87 -5.791 -5.066 4.397 1.00 0.00 H new ATOM 0 HB VAL A 87 -4.047 -7.058 2.905 1.00 0.00 H new ATOM 0 HG11 VAL A 87 -4.919 -6.047 0.832 1.00 0.00 H new ATOM 0 HG12 VAL A 87 -6.202 -6.852 1.766 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -6.062 -5.078 1.792 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -3.019 -5.009 1.969 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -4.098 -4.018 2.979 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -2.878 -5.065 3.742 1.00 0.00 H new ATOM 1349 N ILE A 88 -6.179 -8.362 4.360 1.00 0.00 N ATOM 1350 CA ILE A 88 -7.208 -9.397 4.320 1.00 0.00 C ATOM 1351 C ILE A 88 -8.229 -9.212 5.425 1.00 0.00 C ATOM 1352 O ILE A 88 -9.433 -9.242 5.171 1.00 0.00 O ATOM 1353 CB ILE A 88 -6.618 -10.819 4.416 1.00 0.00 C ATOM 1354 CG1 ILE A 88 -5.773 -11.124 3.181 1.00 0.00 C ATOM 1355 CG2 ILE A 88 -7.734 -11.851 4.569 1.00 0.00 C ATOM 1356 CD1 ILE A 88 -6.571 -11.112 1.895 1.00 0.00 C ATOM 0 H ILE A 88 -5.229 -8.707 4.501 1.00 0.00 H new ATOM 0 HA ILE A 88 -7.697 -9.289 3.352 1.00 0.00 H new ATOM 0 HB ILE A 88 -5.978 -10.872 5.297 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -4.969 -10.392 3.109 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -5.305 -12.101 3.301 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -7.300 -12.849 4.635 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -8.302 -11.641 5.475 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -8.397 -11.800 3.706 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -5.912 -11.336 1.056 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -7.359 -11.864 1.949 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -7.018 -10.128 1.753 1.00 0.00 H new ATOM 1368 N GLU A 89 -7.763 -9.054 6.655 1.00 0.00 N ATOM 1369 CA GLU A 89 -8.693 -8.915 7.762 1.00 0.00 C ATOM 1370 C GLU A 89 -9.572 -7.685 7.587 1.00 0.00 C ATOM 1371 O GLU A 89 -10.791 -7.790 7.642 1.00 0.00 O ATOM 1372 CB GLU A 89 -7.975 -8.846 9.103 1.00 0.00 C ATOM 1373 CG GLU A 89 -8.936 -8.687 10.272 1.00 0.00 C ATOM 1374 CD GLU A 89 -8.233 -8.696 11.603 1.00 0.00 C ATOM 1375 OE1 GLU A 89 -7.610 -9.725 11.935 1.00 0.00 O ATOM 1376 OE2 GLU A 89 -8.288 -7.681 12.322 1.00 0.00 O ATOM 0 H GLU A 89 -6.775 -9.020 6.907 1.00 0.00 H new ATOM 0 HA GLU A 89 -9.321 -9.806 7.758 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -7.385 -9.752 9.243 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -7.277 -8.009 9.095 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -9.485 -7.752 10.162 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -9.670 -9.493 10.247 1.00 0.00 H new ATOM 1383 N MET A 90 -8.960 -6.527 7.359 1.00 0.00 N ATOM 1384 CA MET A 90 -9.715 -5.290 7.169 1.00 0.00 C ATOM 1385 C MET A 90 -10.626 -5.366 5.953 1.00 0.00 C ATOM 1386 O MET A 90 -11.749 -4.867 5.987 1.00 0.00 O ATOM 1387 CB MET A 90 -8.791 -4.074 7.118 1.00 0.00 C ATOM 1388 CG MET A 90 -8.127 -3.805 8.457 1.00 0.00 C ATOM 1389 SD MET A 90 -7.249 -2.236 8.511 1.00 0.00 S ATOM 1390 CE MET A 90 -6.623 -2.270 10.188 1.00 0.00 C ATOM 0 H MET A 90 -7.948 -6.418 7.301 1.00 0.00 H new ATOM 0 HA MET A 90 -10.361 -5.166 8.038 1.00 0.00 H new ATOM 0 HB2 MET A 90 -8.025 -4.233 6.359 1.00 0.00 H new ATOM 0 HB3 MET A 90 -9.363 -3.197 6.815 1.00 0.00 H new ATOM 0 HG2 MET A 90 -8.885 -3.817 9.240 1.00 0.00 H new ATOM 0 HG3 MET A 90 -7.429 -4.612 8.678 1.00 0.00 H new ATOM 0 HE1 MET A 90 -5.713 -1.673 10.249 1.00 0.00 H new ATOM 0 HE2 MET A 90 -7.372 -1.859 10.864 1.00 0.00 H new ATOM 0 HE3 MET A 90 -6.402 -3.299 10.473 1.00 0.00 H new ATOM 1400 N TYR A 91 -10.201 -6.121 4.951 1.00 0.00 N ATOM 1401 CA TYR A 91 -11.047 -6.436 3.805 1.00 0.00 C ATOM 1402 C TYR A 91 -12.320 -7.138 4.249 1.00 0.00 C ATOM 1403 O TYR A 91 -13.425 -6.707 3.913 1.00 0.00 O ATOM 1404 CB TYR A 91 -10.254 -7.328 2.852 1.00 0.00 C ATOM 1405 CG TYR A 91 -11.067 -8.191 1.912 1.00 0.00 C ATOM 1406 CD1 TYR A 91 -11.868 -7.659 0.911 1.00 0.00 C ATOM 1407 CD2 TYR A 91 -11.011 -9.569 2.044 1.00 0.00 C ATOM 1408 CE1 TYR A 91 -12.584 -8.483 0.063 1.00 0.00 C ATOM 1409 CE2 TYR A 91 -11.720 -10.397 1.210 1.00 0.00 C ATOM 1410 CZ TYR A 91 -12.507 -9.853 0.215 1.00 0.00 C ATOM 1411 OH TYR A 91 -13.213 -10.677 -0.633 1.00 0.00 O ATOM 0 H TYR A 91 -9.268 -6.531 4.907 1.00 0.00 H new ATOM 0 HA TYR A 91 -11.338 -5.514 3.301 1.00 0.00 H new ATOM 0 HB2 TYR A 91 -9.599 -6.694 2.255 1.00 0.00 H new ATOM 0 HB3 TYR A 91 -9.612 -7.979 3.446 1.00 0.00 H new ATOM 0 HD1 TYR A 91 -11.933 -6.587 0.793 1.00 0.00 H new ATOM 0 HD2 TYR A 91 -10.396 -10.001 2.820 1.00 0.00 H new ATOM 0 HE1 TYR A 91 -13.201 -8.057 -0.715 1.00 0.00 H new ATOM 0 HE2 TYR A 91 -11.662 -11.469 1.332 1.00 0.00 H new ATOM 0 HH TYR A 91 -13.049 -11.613 -0.392 1.00 0.00 H new ATOM 1421 N GLN A 92 -12.152 -8.195 5.032 1.00 0.00 N ATOM 1422 CA GLN A 92 -13.283 -8.943 5.560 1.00 0.00 C ATOM 1423 C GLN A 92 -14.098 -8.067 6.513 1.00 0.00 C ATOM 1424 O GLN A 92 -15.329 -8.069 6.478 1.00 0.00 O ATOM 1425 CB GLN A 92 -12.808 -10.208 6.277 1.00 0.00 C ATOM 1426 CG GLN A 92 -11.991 -11.131 5.390 1.00 0.00 C ATOM 1427 CD GLN A 92 -11.578 -12.406 6.093 1.00 0.00 C ATOM 1428 OE1 GLN A 92 -10.944 -12.373 7.148 1.00 0.00 O ATOM 1429 NE2 GLN A 92 -11.921 -13.540 5.504 1.00 0.00 N ATOM 0 H GLN A 92 -11.240 -8.554 5.316 1.00 0.00 H new ATOM 0 HA GLN A 92 -13.918 -9.240 4.726 1.00 0.00 H new ATOM 0 HB2 GLN A 92 -12.209 -9.924 7.142 1.00 0.00 H new ATOM 0 HB3 GLN A 92 -13.675 -10.751 6.654 1.00 0.00 H new ATOM 0 HG2 GLN A 92 -12.572 -11.383 4.503 1.00 0.00 H new ATOM 0 HG3 GLN A 92 -11.100 -10.604 5.049 1.00 0.00 H new ATOM 0 HE21 GLN A 92 -12.447 -13.522 4.630 1.00 0.00 H new ATOM 0 HE22 GLN A 92 -11.660 -14.432 5.924 1.00 0.00 H new ATOM 1438 N ARG A 93 -13.390 -7.282 7.324 1.00 0.00 N ATOM 1439 CA ARG A 93 -14.010 -6.338 8.254 1.00 0.00 C ATOM 1440 C ARG A 93 -14.898 -5.355 7.502 1.00 0.00 C ATOM 1441 O ARG A 93 -15.854 -4.813 8.054 1.00 0.00 O ATOM 1442 CB ARG A 93 -12.941 -5.544 9.011 1.00 0.00 C ATOM 1443 CG ARG A 93 -11.997 -6.389 9.847 1.00 0.00 C ATOM 1444 CD ARG A 93 -12.724 -7.119 10.968 1.00 0.00 C ATOM 1445 NE ARG A 93 -13.409 -6.192 11.872 1.00 0.00 N ATOM 1446 CZ ARG A 93 -12.788 -5.270 12.620 1.00 0.00 C ATOM 1447 NH1 ARG A 93 -11.458 -5.246 12.688 1.00 0.00 N ATOM 1448 NH2 ARG A 93 -13.501 -4.392 13.317 1.00 0.00 N ATOM 0 H ARG A 93 -12.370 -7.282 7.355 1.00 0.00 H new ATOM 0 HA ARG A 93 -14.609 -6.914 8.960 1.00 0.00 H new ATOM 0 HB2 ARG A 93 -12.355 -4.972 8.291 1.00 0.00 H new ATOM 0 HB3 ARG A 93 -13.436 -4.824 9.663 1.00 0.00 H new ATOM 0 HG2 ARG A 93 -11.497 -7.115 9.206 1.00 0.00 H new ATOM 0 HG3 ARG A 93 -11.221 -5.752 10.273 1.00 0.00 H new ATOM 0 HD2 ARG A 93 -13.450 -7.810 10.540 1.00 0.00 H new ATOM 0 HD3 ARG A 93 -12.010 -7.717 11.534 1.00 0.00 H new ATOM 0 HE ARG A 93 -14.425 -6.252 11.936 1.00 0.00 H new ATOM 0 HH11 ARG A 93 -10.908 -5.931 12.169 1.00 0.00 H new ATOM 0 HH12 ARG A 93 -10.989 -4.542 13.259 1.00 0.00 H new ATOM 0 HH21 ARG A 93 -14.520 -4.420 13.282 1.00 0.00 H new ATOM 0 HH22 ARG A 93 -13.029 -3.690 13.887 1.00 0.00 H new ATOM 1462 N GLY A 94 -14.480 -5.033 6.288 1.00 0.00 N ATOM 1463 CA GLY A 94 -15.139 -4.009 5.512 1.00 0.00 C ATOM 1464 C GLY A 94 -14.489 -2.654 5.697 1.00 0.00 C ATOM 1465 O GLY A 94 -14.568 -1.802 4.820 1.00 0.00 O ATOM 0 H GLY A 94 -13.685 -5.471 5.823 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -15.116 -4.282 4.457 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -16.188 -3.951 5.803 1.00 0.00 H new ATOM 1469 N GLU A 95 -13.839 -2.456 6.839 1.00 0.00 N ATOM 1470 CA GLU A 95 -13.171 -1.192 7.153 1.00 0.00 C ATOM 1471 C GLU A 95 -12.193 -0.768 6.058 1.00 0.00 C ATOM 1472 O GLU A 95 -12.032 0.415 5.795 1.00 0.00 O ATOM 1473 CB GLU A 95 -12.419 -1.290 8.480 1.00 0.00 C ATOM 1474 CG GLU A 95 -13.305 -1.577 9.680 1.00 0.00 C ATOM 1475 CD GLU A 95 -12.518 -1.616 10.974 1.00 0.00 C ATOM 1476 OE1 GLU A 95 -11.602 -2.451 11.090 1.00 0.00 O ATOM 1477 OE2 GLU A 95 -12.806 -0.796 11.873 1.00 0.00 O ATOM 0 H GLU A 95 -13.759 -3.161 7.571 1.00 0.00 H new ATOM 0 HA GLU A 95 -13.955 -0.438 7.226 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -11.668 -2.076 8.401 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -11.886 -0.355 8.652 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -14.079 -0.812 9.750 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -13.812 -2.531 9.536 1.00 0.00 H new ATOM 1484 N LEU A 96 -11.506 -1.732 5.468 1.00 0.00 N ATOM 1485 CA LEU A 96 -10.485 -1.446 4.454 1.00 0.00 C ATOM 1486 C LEU A 96 -11.095 -0.710 3.276 1.00 0.00 C ATOM 1487 O LEU A 96 -10.704 0.404 2.955 1.00 0.00 O ATOM 1488 CB LEU A 96 -9.838 -2.741 3.963 1.00 0.00 C ATOM 1489 CG LEU A 96 -8.741 -2.566 2.910 1.00 0.00 C ATOM 1490 CD1 LEU A 96 -7.571 -1.773 3.477 1.00 0.00 C ATOM 1491 CD2 LEU A 96 -8.279 -3.921 2.398 1.00 0.00 C ATOM 0 H LEU A 96 -11.632 -2.724 5.669 1.00 0.00 H new ATOM 0 HA LEU A 96 -9.723 -0.817 4.913 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -9.415 -3.264 4.821 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -10.616 -3.383 3.550 1.00 0.00 H new ATOM 0 HG LEU A 96 -9.153 -2.004 2.072 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -6.803 -1.660 2.712 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -7.917 -0.788 3.791 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -7.154 -2.302 4.334 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -7.499 -3.781 1.650 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -7.885 -4.508 3.227 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -9.122 -4.447 1.949 1.00 0.00 H new ATOM 1503 N GLN A 97 -12.126 -1.305 2.717 1.00 0.00 N ATOM 1504 CA GLN A 97 -12.893 -0.690 1.641 1.00 0.00 C ATOM 1505 C GLN A 97 -13.616 0.557 2.111 1.00 0.00 C ATOM 1506 O GLN A 97 -13.825 1.474 1.334 1.00 0.00 O ATOM 1507 CB GLN A 97 -13.860 -1.684 1.000 1.00 0.00 C ATOM 1508 CG GLN A 97 -14.634 -2.544 1.984 1.00 0.00 C ATOM 1509 CD GLN A 97 -15.490 -3.587 1.295 1.00 0.00 C ATOM 1510 OE1 GLN A 97 -16.395 -3.258 0.530 1.00 0.00 O ATOM 1511 NE2 GLN A 97 -15.209 -4.854 1.561 1.00 0.00 N ATOM 0 H GLN A 97 -12.461 -2.229 2.991 1.00 0.00 H new ATOM 0 HA GLN A 97 -12.181 -0.385 0.874 1.00 0.00 H new ATOM 0 HB2 GLN A 97 -14.570 -1.133 0.384 1.00 0.00 H new ATOM 0 HB3 GLN A 97 -13.298 -2.337 0.332 1.00 0.00 H new ATOM 0 HG2 GLN A 97 -13.934 -3.040 2.657 1.00 0.00 H new ATOM 0 HG3 GLN A 97 -15.269 -1.906 2.598 1.00 0.00 H new ATOM 0 HE21 GLN A 97 -14.450 -5.084 2.202 1.00 0.00 H new ATOM 0 HE22 GLN A 97 -15.752 -5.599 1.125 1.00 0.00 H new ATOM 1520 N GLN A 98 -13.910 0.623 3.396 1.00 0.00 N ATOM 1521 CA GLN A 98 -14.506 1.815 3.978 1.00 0.00 C ATOM 1522 C GLN A 98 -13.517 2.970 3.902 1.00 0.00 C ATOM 1523 O GLN A 98 -13.862 4.084 3.493 1.00 0.00 O ATOM 1524 CB GLN A 98 -14.919 1.560 5.432 1.00 0.00 C ATOM 1525 CG GLN A 98 -16.064 0.568 5.593 1.00 0.00 C ATOM 1526 CD GLN A 98 -17.312 0.958 4.819 1.00 0.00 C ATOM 1527 OE1 GLN A 98 -17.845 2.053 4.983 1.00 0.00 O ATOM 1528 NE2 GLN A 98 -17.802 0.052 3.986 1.00 0.00 N ATOM 0 H GLN A 98 -13.746 -0.135 4.059 1.00 0.00 H new ATOM 0 HA GLN A 98 -15.402 2.073 3.413 1.00 0.00 H new ATOM 0 HB2 GLN A 98 -14.054 1.192 5.984 1.00 0.00 H new ATOM 0 HB3 GLN A 98 -15.208 2.507 5.887 1.00 0.00 H new ATOM 0 HG2 GLN A 98 -15.732 -0.416 5.261 1.00 0.00 H new ATOM 0 HG3 GLN A 98 -16.313 0.481 6.650 1.00 0.00 H new ATOM 0 HE21 GLN A 98 -17.332 -0.847 3.876 1.00 0.00 H new ATOM 0 HE22 GLN A 98 -18.649 0.253 3.455 1.00 0.00 H new ATOM 1537 N LEU A 99 -12.272 2.673 4.249 1.00 0.00 N ATOM 1538 CA LEU A 99 -11.192 3.644 4.184 1.00 0.00 C ATOM 1539 C LEU A 99 -10.860 3.961 2.736 1.00 0.00 C ATOM 1540 O LEU A 99 -10.704 5.127 2.363 1.00 0.00 O ATOM 1541 CB LEU A 99 -9.940 3.089 4.867 1.00 0.00 C ATOM 1542 CG LEU A 99 -10.156 2.529 6.270 1.00 0.00 C ATOM 1543 CD1 LEU A 99 -8.848 2.004 6.842 1.00 0.00 C ATOM 1544 CD2 LEU A 99 -10.758 3.583 7.187 1.00 0.00 C ATOM 0 H LEU A 99 -11.984 1.753 4.583 1.00 0.00 H new ATOM 0 HA LEU A 99 -11.516 4.551 4.694 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -9.523 2.301 4.240 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -9.194 3.882 4.921 1.00 0.00 H new ATOM 0 HG LEU A 99 -10.859 1.699 6.201 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -9.021 1.609 7.843 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -8.462 1.212 6.201 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -8.122 2.815 6.893 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -10.903 3.160 8.181 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -10.084 4.438 7.250 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -11.719 3.907 6.787 1.00 0.00 H new ATOM 1556 N ILE A 100 -10.727 2.908 1.933 1.00 0.00 N ATOM 1557 CA ILE A 100 -10.379 3.058 0.529 1.00 0.00 C ATOM 1558 C ILE A 100 -11.466 3.853 -0.191 1.00 0.00 C ATOM 1559 O ILE A 100 -11.164 4.757 -0.947 1.00 0.00 O ATOM 1560 CB ILE A 100 -10.165 1.694 -0.179 1.00 0.00 C ATOM 1561 CG1 ILE A 100 -9.099 0.850 0.539 1.00 0.00 C ATOM 1562 CG2 ILE A 100 -9.748 1.910 -1.628 1.00 0.00 C ATOM 1563 CD1 ILE A 100 -7.717 1.469 0.551 1.00 0.00 C ATOM 0 H ILE A 100 -10.856 1.942 2.234 1.00 0.00 H new ATOM 0 HA ILE A 100 -9.432 3.596 0.485 1.00 0.00 H new ATOM 0 HB ILE A 100 -11.112 1.155 -0.147 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -9.418 0.682 1.568 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -9.042 -0.127 0.059 1.00 0.00 H new ATOM 0 HG21 ILE A 100 -9.601 0.945 -2.112 1.00 0.00 H new ATOM 0 HG22 ILE A 100 -10.527 2.464 -2.152 1.00 0.00 H new ATOM 0 HG23 ILE A 100 -8.817 2.476 -1.658 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -7.027 0.809 1.077 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -7.373 1.611 -0.474 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -7.754 2.433 1.058 1.00 0.00 H new ATOM 1575 N LYS A 101 -12.728 3.549 0.116 1.00 0.00 N ATOM 1576 CA LYS A 101 -13.872 4.268 -0.444 1.00 0.00 C ATOM 1577 C LYS A 101 -13.726 5.770 -0.273 1.00 0.00 C ATOM 1578 O LYS A 101 -13.807 6.533 -1.231 1.00 0.00 O ATOM 1579 CB LYS A 101 -15.145 3.849 0.292 1.00 0.00 C ATOM 1580 CG LYS A 101 -16.377 4.601 -0.160 1.00 0.00 C ATOM 1581 CD LYS A 101 -17.465 4.612 0.910 1.00 0.00 C ATOM 1582 CE LYS A 101 -17.881 3.215 1.334 1.00 0.00 C ATOM 1583 NZ LYS A 101 -18.901 3.239 2.418 1.00 0.00 N ATOM 0 H LYS A 101 -12.985 2.799 0.758 1.00 0.00 H new ATOM 0 HA LYS A 101 -13.922 4.025 -1.505 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -15.306 2.781 0.144 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -15.005 4.005 1.362 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -16.104 5.626 -0.410 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -16.767 4.144 -1.069 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -17.107 5.161 1.781 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -18.336 5.147 0.532 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -18.280 2.679 0.473 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -17.004 2.664 1.674 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -18.499 2.823 3.282 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -19.184 4.222 2.607 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -19.733 2.689 2.124 1.00 0.00 H new ATOM 1597 N GLU A 102 -13.612 6.182 0.978 1.00 0.00 N ATOM 1598 CA GLU A 102 -13.577 7.591 1.323 1.00 0.00 C ATOM 1599 C GLU A 102 -12.362 8.263 0.697 1.00 0.00 C ATOM 1600 O GLU A 102 -12.447 9.375 0.167 1.00 0.00 O ATOM 1601 CB GLU A 102 -13.549 7.738 2.842 1.00 0.00 C ATOM 1602 CG GLU A 102 -13.645 9.172 3.326 1.00 0.00 C ATOM 1603 CD GLU A 102 -13.608 9.265 4.832 1.00 0.00 C ATOM 1604 OE1 GLU A 102 -14.472 8.645 5.490 1.00 0.00 O ATOM 1605 OE2 GLU A 102 -12.715 9.956 5.362 1.00 0.00 O ATOM 0 H GLU A 102 -13.542 5.553 1.778 1.00 0.00 H new ATOM 0 HA GLU A 102 -14.470 8.080 0.933 1.00 0.00 H new ATOM 0 HB2 GLU A 102 -14.374 7.166 3.267 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -12.627 7.298 3.222 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -12.823 9.752 2.907 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -14.569 9.618 2.958 1.00 0.00 H new ATOM 1612 N THR A 103 -11.236 7.576 0.768 1.00 0.00 N ATOM 1613 CA THR A 103 -9.991 8.074 0.223 1.00 0.00 C ATOM 1614 C THR A 103 -10.018 8.116 -1.303 1.00 0.00 C ATOM 1615 O THR A 103 -9.672 9.125 -1.910 1.00 0.00 O ATOM 1616 CB THR A 103 -8.833 7.195 0.696 1.00 0.00 C ATOM 1617 OG1 THR A 103 -8.819 7.166 2.127 1.00 0.00 O ATOM 1618 CG2 THR A 103 -7.513 7.713 0.179 1.00 0.00 C ATOM 0 H THR A 103 -11.161 6.658 1.205 1.00 0.00 H new ATOM 0 HA THR A 103 -9.853 9.094 0.582 1.00 0.00 H new ATOM 0 HB THR A 103 -8.975 6.187 0.306 1.00 0.00 H new ATOM 0 HG1 THR A 103 -9.446 6.484 2.447 1.00 0.00 H new ATOM 0 HG21 THR A 103 -6.707 7.069 0.530 1.00 0.00 H new ATOM 0 HG22 THR A 103 -7.525 7.717 -0.911 1.00 0.00 H new ATOM 0 HG23 THR A 103 -7.352 8.728 0.544 1.00 0.00 H new ATOM 1626 N ALA A 104 -10.439 7.027 -1.918 1.00 0.00 N ATOM 1627 CA ALA A 104 -10.512 6.956 -3.363 1.00 0.00 C ATOM 1628 C ALA A 104 -11.459 8.017 -3.904 1.00 0.00 C ATOM 1629 O ALA A 104 -11.133 8.712 -4.861 1.00 0.00 O ATOM 1630 CB ALA A 104 -10.959 5.576 -3.809 1.00 0.00 C ATOM 0 H ALA A 104 -10.736 6.178 -1.437 1.00 0.00 H new ATOM 0 HA ALA A 104 -9.516 7.143 -3.763 1.00 0.00 H new ATOM 0 HB1 ALA A 104 -11.008 5.543 -4.897 1.00 0.00 H new ATOM 0 HB2 ALA A 104 -10.247 4.831 -3.455 1.00 0.00 H new ATOM 0 HB3 ALA A 104 -11.944 5.361 -3.395 1.00 0.00 H new ATOM 1636 N ALA A 105 -12.626 8.140 -3.286 1.00 0.00 N ATOM 1637 CA ALA A 105 -13.623 9.112 -3.712 1.00 0.00 C ATOM 1638 C ALA A 105 -13.069 10.532 -3.681 1.00 0.00 C ATOM 1639 O ALA A 105 -13.326 11.325 -4.580 1.00 0.00 O ATOM 1640 CB ALA A 105 -14.877 9.006 -2.857 1.00 0.00 C ATOM 0 H ALA A 105 -12.906 7.575 -2.484 1.00 0.00 H new ATOM 0 HA ALA A 105 -13.887 8.883 -4.744 1.00 0.00 H new ATOM 0 HB1 ALA A 105 -15.609 9.741 -3.192 1.00 0.00 H new ATOM 0 HB2 ALA A 105 -15.298 8.005 -2.951 1.00 0.00 H new ATOM 0 HB3 ALA A 105 -14.623 9.196 -1.814 1.00 0.00 H new ATOM 1646 N LYS A 106 -12.295 10.862 -2.659 1.00 0.00 N ATOM 1647 CA LYS A 106 -11.722 12.195 -2.585 1.00 0.00 C ATOM 1648 C LYS A 106 -10.585 12.367 -3.596 1.00 0.00 C ATOM 1649 O LYS A 106 -10.343 13.477 -4.064 1.00 0.00 O ATOM 1650 CB LYS A 106 -11.330 12.583 -1.142 1.00 0.00 C ATOM 1651 CG LYS A 106 -10.256 11.734 -0.477 1.00 0.00 C ATOM 1652 CD LYS A 106 -8.851 12.113 -0.925 1.00 0.00 C ATOM 1653 CE LYS A 106 -8.517 13.563 -0.591 1.00 0.00 C ATOM 1654 NZ LYS A 106 -8.547 13.829 0.874 1.00 0.00 N ATOM 0 H LYS A 106 -12.054 10.241 -1.886 1.00 0.00 H new ATOM 0 HA LYS A 106 -12.496 12.907 -2.872 1.00 0.00 H new ATOM 0 HB2 LYS A 106 -10.991 13.619 -1.148 1.00 0.00 H new ATOM 0 HB3 LYS A 106 -12.227 12.545 -0.523 1.00 0.00 H new ATOM 0 HG2 LYS A 106 -10.330 11.842 0.605 1.00 0.00 H new ATOM 0 HG3 LYS A 106 -10.435 10.683 -0.705 1.00 0.00 H new ATOM 0 HD2 LYS A 106 -8.127 11.454 -0.445 1.00 0.00 H new ATOM 0 HD3 LYS A 106 -8.759 11.958 -2.000 1.00 0.00 H new ATOM 0 HE2 LYS A 106 -7.528 13.805 -0.981 1.00 0.00 H new ATOM 0 HE3 LYS A 106 -9.227 14.221 -1.092 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 -8.184 14.785 1.061 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 -9.525 13.756 1.220 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 -7.953 13.131 1.366 1.00 0.00 H new ATOM 1668 N TYR A 107 -9.920 11.272 -3.978 1.00 0.00 N ATOM 1669 CA TYR A 107 -8.862 11.359 -4.986 1.00 0.00 C ATOM 1670 C TYR A 107 -9.389 11.327 -6.430 1.00 0.00 C ATOM 1671 O TYR A 107 -9.081 12.225 -7.214 1.00 0.00 O ATOM 1672 CB TYR A 107 -7.795 10.277 -4.791 1.00 0.00 C ATOM 1673 CG TYR A 107 -6.838 10.548 -3.651 1.00 0.00 C ATOM 1674 CD1 TYR A 107 -5.803 11.459 -3.817 1.00 0.00 C ATOM 1675 CD2 TYR A 107 -6.953 9.908 -2.419 1.00 0.00 C ATOM 1676 CE1 TYR A 107 -4.913 11.723 -2.800 1.00 0.00 C ATOM 1677 CE2 TYR A 107 -6.065 10.165 -1.403 1.00 0.00 C ATOM 1678 CZ TYR A 107 -5.044 11.075 -1.595 1.00 0.00 C ATOM 1679 OH TYR A 107 -4.152 11.333 -0.582 1.00 0.00 O ATOM 0 H TYR A 107 -10.091 10.335 -3.613 1.00 0.00 H new ATOM 0 HA TYR A 107 -8.404 12.336 -4.833 1.00 0.00 H new ATOM 0 HB2 TYR A 107 -8.290 9.322 -4.616 1.00 0.00 H new ATOM 0 HB3 TYR A 107 -7.224 10.175 -5.714 1.00 0.00 H new ATOM 0 HD1 TYR A 107 -5.694 11.970 -4.762 1.00 0.00 H new ATOM 0 HD2 TYR A 107 -7.752 9.199 -2.260 1.00 0.00 H new ATOM 0 HE1 TYR A 107 -4.116 12.436 -2.949 1.00 0.00 H new ATOM 0 HE2 TYR A 107 -6.165 9.656 -0.456 1.00 0.00 H new ATOM 0 HH TYR A 107 -4.642 11.513 0.247 1.00 0.00 H new ATOM 1689 N LYS A 108 -10.286 10.393 -6.748 1.00 0.00 N ATOM 1690 CA LYS A 108 -10.946 10.409 -8.053 1.00 0.00 C ATOM 1691 C LYS A 108 -12.129 11.365 -8.011 1.00 0.00 C ATOM 1692 O LYS A 108 -12.235 12.186 -7.101 1.00 0.00 O ATOM 1693 CB LYS A 108 -11.402 8.999 -8.496 1.00 0.00 C ATOM 1694 CG LYS A 108 -10.304 8.092 -9.052 1.00 0.00 C ATOM 1695 CD LYS A 108 -9.313 7.652 -7.997 1.00 0.00 C ATOM 1696 CE LYS A 108 -10.024 6.962 -6.855 1.00 0.00 C ATOM 1697 NZ LYS A 108 -10.792 5.755 -7.286 1.00 0.00 N ATOM 0 H LYS A 108 -10.568 9.630 -6.133 1.00 0.00 H new ATOM 0 HA LYS A 108 -10.222 10.752 -8.792 1.00 0.00 H new ATOM 0 HB2 LYS A 108 -11.862 8.501 -7.642 1.00 0.00 H new ATOM 0 HB3 LYS A 108 -12.176 9.109 -9.255 1.00 0.00 H new ATOM 0 HG2 LYS A 108 -10.761 7.212 -9.503 1.00 0.00 H new ATOM 0 HG3 LYS A 108 -9.773 8.618 -9.845 1.00 0.00 H new ATOM 0 HD2 LYS A 108 -8.580 6.976 -8.438 1.00 0.00 H new ATOM 0 HD3 LYS A 108 -8.765 8.516 -7.622 1.00 0.00 H new ATOM 0 HE2 LYS A 108 -9.292 6.670 -6.103 1.00 0.00 H new ATOM 0 HE3 LYS A 108 -10.705 7.668 -6.379 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 -11.805 5.905 -7.104 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 -10.643 5.594 -8.303 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 -10.463 4.925 -6.752 1.00 0.00 H new ATOM 1711 N SER A 109 -13.098 11.128 -8.871 1.00 0.00 N ATOM 1712 CA SER A 109 -14.368 11.819 -8.786 1.00 0.00 C ATOM 1713 C SER A 109 -15.167 11.225 -7.632 1.00 0.00 C ATOM 1714 O SER A 109 -14.600 10.594 -6.744 1.00 0.00 O ATOM 1715 CB SER A 109 -15.122 11.667 -10.109 1.00 0.00 C ATOM 1716 OG SER A 109 -14.337 12.145 -11.191 1.00 0.00 O ATOM 0 H SER A 109 -13.030 10.460 -9.639 1.00 0.00 H new ATOM 0 HA SER A 109 -14.214 12.882 -8.603 1.00 0.00 H new ATOM 0 HB2 SER A 109 -15.374 10.619 -10.271 1.00 0.00 H new ATOM 0 HB3 SER A 109 -16.061 12.218 -10.063 1.00 0.00 H new ATOM 0 HG SER A 109 -14.835 12.038 -12.028 1.00 0.00 H new ATOM 1722 N GLU A 110 -16.473 11.310 -7.707 1.00 0.00 N ATOM 1723 CA GLU A 110 -17.338 10.665 -6.722 1.00 0.00 C ATOM 1724 C GLU A 110 -17.384 9.139 -6.915 1.00 0.00 C ATOM 1725 O GLU A 110 -18.453 8.530 -6.880 1.00 0.00 O ATOM 1726 CB GLU A 110 -18.737 11.279 -6.777 1.00 0.00 C ATOM 1727 CG GLU A 110 -19.358 11.275 -8.161 1.00 0.00 C ATOM 1728 CD GLU A 110 -20.691 11.987 -8.191 1.00 0.00 C ATOM 1729 OE1 GLU A 110 -21.635 11.526 -7.515 1.00 0.00 O ATOM 1730 OE2 GLU A 110 -20.791 13.035 -8.863 1.00 0.00 O ATOM 0 H GLU A 110 -16.971 11.818 -8.438 1.00 0.00 H new ATOM 0 HA GLU A 110 -16.919 10.841 -5.731 1.00 0.00 H new ATOM 0 HB2 GLU A 110 -19.389 10.733 -6.096 1.00 0.00 H new ATOM 0 HB3 GLU A 110 -18.686 12.306 -6.416 1.00 0.00 H new ATOM 0 HG2 GLU A 110 -18.677 11.753 -8.864 1.00 0.00 H new ATOM 0 HG3 GLU A 110 -19.490 10.246 -8.495 1.00 0.00 H new ATOM 1737 N GLU A 111 -16.206 8.539 -7.082 1.00 0.00 N ATOM 1738 CA GLU A 111 -16.068 7.094 -7.237 1.00 0.00 C ATOM 1739 C GLU A 111 -16.214 6.398 -5.884 1.00 0.00 C ATOM 1740 O GLU A 111 -15.340 6.514 -5.026 1.00 0.00 O ATOM 1741 CB GLU A 111 -14.692 6.777 -7.851 1.00 0.00 C ATOM 1742 CG GLU A 111 -14.468 7.458 -9.194 1.00 0.00 C ATOM 1743 CD GLU A 111 -15.561 7.152 -10.201 1.00 0.00 C ATOM 1744 OE1 GLU A 111 -15.744 5.968 -10.549 1.00 0.00 O ATOM 1745 OE2 GLU A 111 -16.243 8.097 -10.650 1.00 0.00 O ATOM 0 H GLU A 111 -15.320 9.043 -7.113 1.00 0.00 H new ATOM 0 HA GLU A 111 -16.853 6.727 -7.898 1.00 0.00 H new ATOM 0 HB2 GLU A 111 -13.911 7.088 -7.158 1.00 0.00 H new ATOM 0 HB3 GLU A 111 -14.596 5.698 -7.976 1.00 0.00 H new ATOM 0 HG2 GLU A 111 -14.411 8.536 -9.044 1.00 0.00 H new ATOM 0 HG3 GLU A 111 -13.507 7.141 -9.600 1.00 0.00 H new ATOM 1752 N PRO A 112 -17.314 5.665 -5.676 1.00 0.00 N ATOM 1753 CA PRO A 112 -17.562 4.948 -4.440 1.00 0.00 C ATOM 1754 C PRO A 112 -17.018 3.524 -4.492 1.00 0.00 C ATOM 1755 O PRO A 112 -17.389 2.742 -5.370 1.00 0.00 O ATOM 1756 CB PRO A 112 -19.094 4.940 -4.347 1.00 0.00 C ATOM 1757 CG PRO A 112 -19.601 5.379 -5.695 1.00 0.00 C ATOM 1758 CD PRO A 112 -18.409 5.460 -6.614 1.00 0.00 C ATOM 0 HA PRO A 112 -17.073 5.410 -3.582 1.00 0.00 H new ATOM 0 HB2 PRO A 112 -19.463 3.945 -4.098 1.00 0.00 H new ATOM 0 HB3 PRO A 112 -19.440 5.614 -3.563 1.00 0.00 H new ATOM 0 HG2 PRO A 112 -20.336 4.671 -6.079 1.00 0.00 H new ATOM 0 HG3 PRO A 112 -20.098 6.346 -5.623 1.00 0.00 H new ATOM 0 HD2 PRO A 112 -18.281 4.548 -7.197 1.00 0.00 H new ATOM 0 HD3 PRO A 112 -18.497 6.282 -7.324 1.00 0.00 H new ATOM 1766 N ASP A 113 -16.119 3.195 -3.583 1.00 0.00 N ATOM 1767 CA ASP A 113 -15.514 1.869 -3.578 1.00 0.00 C ATOM 1768 C ASP A 113 -16.397 0.853 -2.872 1.00 0.00 C ATOM 1769 O ASP A 113 -17.007 -0.007 -3.507 1.00 0.00 O ATOM 1770 CB ASP A 113 -14.140 1.900 -2.914 1.00 0.00 C ATOM 1771 CG ASP A 113 -13.127 2.713 -3.691 1.00 0.00 C ATOM 1772 OD1 ASP A 113 -13.513 3.416 -4.636 1.00 0.00 O ATOM 1773 OD2 ASP A 113 -11.941 2.665 -3.334 1.00 0.00 O ATOM 0 H ASP A 113 -15.792 3.818 -2.844 1.00 0.00 H new ATOM 0 HA ASP A 113 -15.403 1.565 -4.619 1.00 0.00 H new ATOM 0 HB2 ASP A 113 -14.237 2.313 -1.910 1.00 0.00 H new ATOM 0 HB3 ASP A 113 -13.772 0.880 -2.804 1.00 0.00 H new