USER MOD reduce.3.24.130724 H: found=0, std=0, add=701, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 703 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: B 55 THR OG1 : rot 114:sc= 0.111 USER MOD Set 1.2: B 57 SER OG : rot 180:sc= 0.394 USER MOD Set 2.1: B 25 ASN : amide:sc= -0.663 K(o=0.4,f=-18!) USER MOD Set 2.2: B 29 LYS NZ :NH3+ 156:sc= 1.06 (180deg=-0.0862) USER MOD Single : A 265 LYS NZ :NH3+ 139:sc= -3.62! (180deg=-6.12!) USER MOD Single : A 270 SER OG : rot 80:sc= -0.349 USER MOD Single : A 272 LYS NZ :NH3+ 168:sc= -0.036 (180deg=-0.286) USER MOD Single : B 1 MET CE :methyl -166:sc= -2.45! (180deg=-3.17!) USER MOD Single : B 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 2 GLN : amide:sc= -4.84! K(o=-4.8!,f=-1.6) USER MOD Single : B 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 7 THR OG1 : rot 180:sc= -0.0402 USER MOD Single : B 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 12 THR OG1 : rot 180:sc= 0 USER MOD Single : B 14 THR OG1 : rot -20:sc= 1.98 USER MOD Single : B 19 SER OG : rot 180:sc= 0 USER MOD Single : B 20 SER OG : rot 180:sc= -0.011 USER MOD Single : B 22 THR OG1 : rot 180:sc= 0 USER MOD Single : B 27 LYS NZ :NH3+ 134:sc=0.000282 (180deg=-0.26) USER MOD Single : B 28 SER OG : rot 180:sc= 0 USER MOD Single : B 31 GLN : amide:sc= -2.51! K(o=-2.5!,f=-0.85) USER MOD Single : B 33 LYS NZ :NH3+ 166:sc= -0.0258 (180deg=-0.219) USER MOD Single : B 40 GLN : amide:sc= -2.96! C(o=-3!,f=-8.4!) USER MOD Single : B 41 GLN : amide:sc= -2.38! C(o=-2.4!,f=-9.8!) USER MOD Single : B 48 LYS NZ :NH3+ 167:sc= -0.0135 (180deg=-0.256) USER MOD Single : B 49 GLN : amide:sc= -5.94! C(o=-5.9!,f=-6!) USER MOD Single : B 59 TYR OH : rot 180:sc= 0 USER MOD Single : B 60 ASN : amide:sc= -0.543 K(o=-0.54,f=-2.1) USER MOD Single : B 62 GLN : amide:sc= -2.68! K(o=-2.7!,f=-0.45) USER MOD Single : B 63 LYS NZ :NH3+ 165:sc= -0.0441 (180deg=-0.343) USER MOD Single : B 65 SER OG : rot -150:sc= 0 USER MOD Single : B 66 THR OG1 : rot 180:sc= 0 USER MOD Single : B 68 HIS : no HE2:sc= -3.29! C(o=-3.3!,f=-5.5!) USER MOD ----------------------------------------------------------------- ATOM 65 N GLU A 259 15.491 -1.156 -1.828 1.00 0.00 N ATOM 66 CA GLU A 259 14.097 -0.796 -2.049 1.00 0.00 C ATOM 67 C GLU A 259 13.288 -2.007 -2.499 1.00 0.00 C ATOM 68 O GLU A 259 12.179 -2.239 -2.019 1.00 0.00 O ATOM 69 CB GLU A 259 14.000 0.315 -3.095 1.00 0.00 C ATOM 70 CG GLU A 259 12.574 0.739 -3.395 1.00 0.00 C ATOM 71 CD GLU A 259 12.493 1.826 -4.449 1.00 0.00 C ATOM 72 OE1 GLU A 259 13.557 2.261 -4.939 1.00 0.00 O ATOM 73 OE2 GLU A 259 11.365 2.244 -4.784 1.00 0.00 O ATOM 0 HA GLU A 259 13.684 -0.437 -1.106 1.00 0.00 H new ATOM 0 HB2 GLU A 259 14.563 1.181 -2.747 1.00 0.00 H new ATOM 0 HB3 GLU A 259 14.472 -0.023 -4.018 1.00 0.00 H new ATOM 0 HG2 GLU A 259 12.005 -0.128 -3.730 1.00 0.00 H new ATOM 0 HG3 GLU A 259 12.105 1.094 -2.477 1.00 0.00 H new ATOM 80 N GLU A 260 13.853 -2.774 -3.425 1.00 0.00 N ATOM 81 CA GLU A 260 13.189 -3.963 -3.945 1.00 0.00 C ATOM 82 C GLU A 260 12.954 -4.986 -2.837 1.00 0.00 C ATOM 83 O GLU A 260 11.930 -5.667 -2.816 1.00 0.00 O ATOM 84 CB GLU A 260 14.022 -4.589 -5.064 1.00 0.00 C ATOM 85 CG GLU A 260 14.273 -3.649 -6.233 1.00 0.00 C ATOM 86 CD GLU A 260 12.989 -3.173 -6.884 1.00 0.00 C ATOM 87 OE1 GLU A 260 12.220 -4.027 -7.374 1.00 0.00 O ATOM 88 OE2 GLU A 260 12.752 -1.947 -6.902 1.00 0.00 O ATOM 0 H GLU A 260 14.771 -2.593 -3.831 1.00 0.00 H new ATOM 0 HA GLU A 260 12.221 -3.661 -4.346 1.00 0.00 H new ATOM 0 HB2 GLU A 260 14.980 -4.912 -4.656 1.00 0.00 H new ATOM 0 HB3 GLU A 260 13.514 -5.482 -5.429 1.00 0.00 H new ATOM 0 HG2 GLU A 260 14.841 -2.786 -5.885 1.00 0.00 H new ATOM 0 HG3 GLU A 260 14.887 -4.156 -6.977 1.00 0.00 H new ATOM 95 N GLU A 261 13.914 -5.091 -1.923 1.00 0.00 N ATOM 96 CA GLU A 261 13.819 -6.034 -0.814 1.00 0.00 C ATOM 97 C GLU A 261 12.584 -5.755 0.041 1.00 0.00 C ATOM 98 O GLU A 261 11.807 -6.662 0.339 1.00 0.00 O ATOM 99 CB GLU A 261 15.081 -5.962 0.048 1.00 0.00 C ATOM 100 CG GLU A 261 15.103 -6.965 1.191 1.00 0.00 C ATOM 101 CD GLU A 261 15.070 -8.402 0.707 1.00 0.00 C ATOM 102 OE1 GLU A 261 15.995 -8.801 -0.031 1.00 0.00 O ATOM 103 OE2 GLU A 261 14.119 -9.128 1.066 1.00 0.00 O ATOM 0 H GLU A 261 14.768 -4.533 -1.929 1.00 0.00 H new ATOM 0 HA GLU A 261 13.726 -7.037 -1.230 1.00 0.00 H new ATOM 0 HB2 GLU A 261 15.952 -6.128 -0.586 1.00 0.00 H new ATOM 0 HB3 GLU A 261 15.173 -4.956 0.458 1.00 0.00 H new ATOM 0 HG2 GLU A 261 16.000 -6.808 1.790 1.00 0.00 H new ATOM 0 HG3 GLU A 261 14.248 -6.786 1.843 1.00 0.00 H new ATOM 110 N LEU A 262 12.408 -4.495 0.431 1.00 0.00 N ATOM 111 CA LEU A 262 11.265 -4.100 1.250 1.00 0.00 C ATOM 112 C LEU A 262 9.952 -4.276 0.493 1.00 0.00 C ATOM 113 O LEU A 262 8.970 -4.770 1.047 1.00 0.00 O ATOM 114 CB LEU A 262 11.410 -2.647 1.715 1.00 0.00 C ATOM 115 CG LEU A 262 12.375 -2.419 2.884 1.00 0.00 C ATOM 116 CD1 LEU A 262 11.897 -3.161 4.125 1.00 0.00 C ATOM 117 CD2 LEU A 262 13.787 -2.850 2.513 1.00 0.00 C ATOM 0 H LEU A 262 13.041 -3.731 0.194 1.00 0.00 H new ATOM 0 HA LEU A 262 11.246 -4.752 2.123 1.00 0.00 H new ATOM 0 HB2 LEU A 262 11.743 -2.045 0.869 1.00 0.00 H new ATOM 0 HB3 LEU A 262 10.426 -2.276 2.002 1.00 0.00 H new ATOM 0 HG LEU A 262 12.393 -1.352 3.106 1.00 0.00 H new ATOM 0 HD11 LEU A 262 12.595 -2.987 4.944 1.00 0.00 H new ATOM 0 HD12 LEU A 262 10.908 -2.799 4.407 1.00 0.00 H new ATOM 0 HD13 LEU A 262 11.845 -4.229 3.913 1.00 0.00 H new ATOM 0 HD21 LEU A 262 14.454 -2.679 3.358 1.00 0.00 H new ATOM 0 HD22 LEU A 262 13.789 -3.910 2.258 1.00 0.00 H new ATOM 0 HD23 LEU A 262 14.131 -2.271 1.656 1.00 0.00 H new ATOM 129 N ILE A 263 9.940 -3.866 -0.772 1.00 0.00 N ATOM 130 CA ILE A 263 8.744 -3.976 -1.600 1.00 0.00 C ATOM 131 C ILE A 263 8.256 -5.421 -1.692 1.00 0.00 C ATOM 132 O ILE A 263 7.101 -5.711 -1.376 1.00 0.00 O ATOM 133 CB ILE A 263 8.994 -3.421 -3.020 1.00 0.00 C ATOM 134 CG1 ILE A 263 8.970 -1.891 -3.014 1.00 0.00 C ATOM 135 CG2 ILE A 263 7.975 -3.971 -4.009 1.00 0.00 C ATOM 136 CD1 ILE A 263 9.282 -1.269 -4.359 1.00 0.00 C ATOM 0 H ILE A 263 10.744 -3.455 -1.245 1.00 0.00 H new ATOM 0 HA ILE A 263 7.970 -3.379 -1.119 1.00 0.00 H new ATOM 0 HB ILE A 263 9.984 -3.748 -3.340 1.00 0.00 H new ATOM 0 HG12 ILE A 263 7.986 -1.554 -2.688 1.00 0.00 H new ATOM 0 HG13 ILE A 263 9.691 -1.529 -2.281 1.00 0.00 H new ATOM 0 HG21 ILE A 263 8.174 -3.564 -5.000 1.00 0.00 H new ATOM 0 HG22 ILE A 263 8.049 -5.058 -4.041 1.00 0.00 H new ATOM 0 HG23 ILE A 263 6.971 -3.685 -3.694 1.00 0.00 H new ATOM 0 HD11 ILE A 263 9.246 -0.183 -4.275 1.00 0.00 H new ATOM 0 HD12 ILE A 263 10.278 -1.575 -4.679 1.00 0.00 H new ATOM 0 HD13 ILE A 263 8.547 -1.601 -5.093 1.00 0.00 H new ATOM 148 N ARG A 264 9.131 -6.326 -2.123 1.00 0.00 N ATOM 149 CA ARG A 264 8.758 -7.731 -2.246 1.00 0.00 C ATOM 150 C ARG A 264 8.393 -8.312 -0.888 1.00 0.00 C ATOM 151 O ARG A 264 7.484 -9.132 -0.786 1.00 0.00 O ATOM 152 CB ARG A 264 9.874 -8.552 -2.885 1.00 0.00 C ATOM 153 CG ARG A 264 11.158 -8.587 -2.075 1.00 0.00 C ATOM 154 CD ARG A 264 12.226 -9.454 -2.733 1.00 0.00 C ATOM 155 NE ARG A 264 12.687 -8.907 -4.011 1.00 0.00 N ATOM 156 CZ ARG A 264 12.053 -9.076 -5.171 1.00 0.00 C ATOM 157 NH1 ARG A 264 10.966 -9.834 -5.240 1.00 0.00 N ATOM 158 NH2 ARG A 264 12.521 -8.501 -6.270 1.00 0.00 N ATOM 0 H ARG A 264 10.092 -6.115 -2.390 1.00 0.00 H new ATOM 0 HA ARG A 264 7.886 -7.781 -2.898 1.00 0.00 H new ATOM 0 HB2 ARG A 264 9.521 -9.573 -3.032 1.00 0.00 H new ATOM 0 HB3 ARG A 264 10.091 -8.145 -3.873 1.00 0.00 H new ATOM 0 HG2 ARG A 264 11.538 -7.573 -1.955 1.00 0.00 H new ATOM 0 HG3 ARG A 264 10.946 -8.969 -1.076 1.00 0.00 H new ATOM 0 HD2 ARG A 264 13.075 -9.553 -2.057 1.00 0.00 H new ATOM 0 HD3 ARG A 264 11.827 -10.456 -2.893 1.00 0.00 H new ATOM 0 HE ARG A 264 13.549 -8.362 -4.013 1.00 0.00 H new ATOM 0 HH11 ARG A 264 10.610 -10.292 -4.401 1.00 0.00 H new ATOM 0 HH12 ARG A 264 10.487 -9.958 -6.132 1.00 0.00 H new ATOM 0 HH21 ARG A 264 13.365 -7.930 -6.227 1.00 0.00 H new ATOM 0 HH22 ARG A 264 12.037 -8.629 -7.159 1.00 0.00 H new ATOM 172 N LYS A 265 9.093 -7.874 0.156 1.00 0.00 N ATOM 173 CA LYS A 265 8.809 -8.347 1.504 1.00 0.00 C ATOM 174 C LYS A 265 7.337 -8.113 1.805 1.00 0.00 C ATOM 175 O LYS A 265 6.624 -9.008 2.273 1.00 0.00 O ATOM 176 CB LYS A 265 9.680 -7.608 2.521 1.00 0.00 C ATOM 177 CG LYS A 265 9.404 -8.002 3.964 1.00 0.00 C ATOM 178 CD LYS A 265 10.269 -7.219 4.945 1.00 0.00 C ATOM 179 CE LYS A 265 11.735 -7.625 4.870 1.00 0.00 C ATOM 180 NZ LYS A 265 12.356 -7.271 3.563 1.00 0.00 N ATOM 0 H LYS A 265 9.854 -7.198 0.094 1.00 0.00 H new ATOM 0 HA LYS A 265 9.034 -9.411 1.573 1.00 0.00 H new ATOM 0 HB2 LYS A 265 10.729 -7.800 2.295 1.00 0.00 H new ATOM 0 HB3 LYS A 265 9.522 -6.535 2.410 1.00 0.00 H new ATOM 0 HG2 LYS A 265 8.352 -7.831 4.192 1.00 0.00 H new ATOM 0 HG3 LYS A 265 9.588 -9.069 4.090 1.00 0.00 H new ATOM 0 HD2 LYS A 265 10.178 -6.153 4.737 1.00 0.00 H new ATOM 0 HD3 LYS A 265 9.901 -7.378 5.959 1.00 0.00 H new ATOM 0 HE2 LYS A 265 12.286 -7.138 5.675 1.00 0.00 H new ATOM 0 HE3 LYS A 265 11.820 -8.700 5.030 1.00 0.00 H new ATOM 0 HZ1 LYS A 265 13.315 -6.901 3.723 1.00 0.00 H new ATOM 0 HZ2 LYS A 265 12.408 -8.118 2.962 1.00 0.00 H new ATOM 0 HZ3 LYS A 265 11.780 -6.546 3.090 1.00 0.00 H new ATOM 194 N ALA A 266 6.882 -6.905 1.488 1.00 0.00 N ATOM 195 CA ALA A 266 5.492 -6.541 1.673 1.00 0.00 C ATOM 196 C ALA A 266 4.625 -7.406 0.774 1.00 0.00 C ATOM 197 O ALA A 266 3.510 -7.780 1.134 1.00 0.00 O ATOM 198 CB ALA A 266 5.282 -5.066 1.366 1.00 0.00 C ATOM 0 H ALA A 266 7.463 -6.162 1.100 1.00 0.00 H new ATOM 0 HA ALA A 266 5.209 -6.709 2.712 1.00 0.00 H new ATOM 0 HB1 ALA A 266 4.232 -4.810 1.510 1.00 0.00 H new ATOM 0 HB2 ALA A 266 5.897 -4.464 2.035 1.00 0.00 H new ATOM 0 HB3 ALA A 266 5.566 -4.865 0.333 1.00 0.00 H new ATOM 204 N ILE A 267 5.161 -7.728 -0.402 1.00 0.00 N ATOM 205 CA ILE A 267 4.456 -8.562 -1.362 1.00 0.00 C ATOM 206 C ILE A 267 4.220 -9.959 -0.794 1.00 0.00 C ATOM 207 O ILE A 267 3.156 -10.543 -0.986 1.00 0.00 O ATOM 208 CB ILE A 267 5.222 -8.668 -2.697 1.00 0.00 C ATOM 209 CG1 ILE A 267 5.329 -7.287 -3.352 1.00 0.00 C ATOM 210 CG2 ILE A 267 4.532 -9.655 -3.630 1.00 0.00 C ATOM 211 CD1 ILE A 267 6.033 -7.297 -4.693 1.00 0.00 C ATOM 0 H ILE A 267 6.084 -7.421 -0.709 1.00 0.00 H new ATOM 0 HA ILE A 267 3.495 -8.085 -1.556 1.00 0.00 H new ATOM 0 HB ILE A 267 6.228 -9.036 -2.497 1.00 0.00 H new ATOM 0 HG12 ILE A 267 4.327 -6.879 -3.482 1.00 0.00 H new ATOM 0 HG13 ILE A 267 5.862 -6.616 -2.678 1.00 0.00 H new ATOM 0 HG21 ILE A 267 5.085 -9.718 -4.567 1.00 0.00 H new ATOM 0 HG22 ILE A 267 4.501 -10.638 -3.161 1.00 0.00 H new ATOM 0 HG23 ILE A 267 3.516 -9.316 -3.831 1.00 0.00 H new ATOM 0 HD11 ILE A 267 6.069 -6.284 -5.093 1.00 0.00 H new ATOM 0 HD12 ILE A 267 7.048 -7.674 -4.568 1.00 0.00 H new ATOM 0 HD13 ILE A 267 5.489 -7.941 -5.385 1.00 0.00 H new ATOM 223 N GLU A 268 5.219 -10.485 -0.090 1.00 0.00 N ATOM 224 CA GLU A 268 5.117 -11.809 0.510 1.00 0.00 C ATOM 225 C GLU A 268 4.040 -11.829 1.590 1.00 0.00 C ATOM 226 O GLU A 268 3.151 -12.684 1.579 1.00 0.00 O ATOM 227 CB GLU A 268 6.465 -12.227 1.104 1.00 0.00 C ATOM 228 CG GLU A 268 6.452 -13.612 1.736 1.00 0.00 C ATOM 229 CD GLU A 268 7.795 -14.000 2.327 1.00 0.00 C ATOM 230 OE1 GLU A 268 8.742 -13.190 2.239 1.00 0.00 O ATOM 231 OE2 GLU A 268 7.900 -15.116 2.877 1.00 0.00 O ATOM 0 H GLU A 268 6.108 -10.013 0.078 1.00 0.00 H new ATOM 0 HA GLU A 268 4.839 -12.518 -0.270 1.00 0.00 H new ATOM 0 HB2 GLU A 268 7.221 -12.202 0.319 1.00 0.00 H new ATOM 0 HB3 GLU A 268 6.763 -11.497 1.856 1.00 0.00 H new ATOM 0 HG2 GLU A 268 5.693 -13.643 2.518 1.00 0.00 H new ATOM 0 HG3 GLU A 268 6.165 -14.347 0.984 1.00 0.00 H new ATOM 238 N LEU A 269 4.119 -10.876 2.517 1.00 0.00 N ATOM 239 CA LEU A 269 3.142 -10.785 3.597 1.00 0.00 C ATOM 240 C LEU A 269 1.738 -10.594 3.039 1.00 0.00 C ATOM 241 O LEU A 269 0.782 -11.219 3.499 1.00 0.00 O ATOM 242 CB LEU A 269 3.478 -9.623 4.532 1.00 0.00 C ATOM 243 CG LEU A 269 4.818 -9.725 5.258 1.00 0.00 C ATOM 244 CD1 LEU A 269 5.040 -8.492 6.119 1.00 0.00 C ATOM 245 CD2 LEU A 269 4.871 -10.986 6.107 1.00 0.00 C ATOM 0 H LEU A 269 4.845 -10.160 2.541 1.00 0.00 H new ATOM 0 HA LEU A 269 3.179 -11.719 4.158 1.00 0.00 H new ATOM 0 HB2 LEU A 269 3.469 -8.700 3.953 1.00 0.00 H new ATOM 0 HB3 LEU A 269 2.687 -9.540 5.277 1.00 0.00 H new ATOM 0 HG LEU A 269 5.614 -9.781 4.516 1.00 0.00 H new ATOM 0 HD11 LEU A 269 5.998 -8.574 6.632 1.00 0.00 H new ATOM 0 HD12 LEU A 269 5.042 -7.603 5.488 1.00 0.00 H new ATOM 0 HD13 LEU A 269 4.240 -8.413 6.855 1.00 0.00 H new ATOM 0 HD21 LEU A 269 5.833 -11.041 6.617 1.00 0.00 H new ATOM 0 HD22 LEU A 269 4.070 -10.961 6.846 1.00 0.00 H new ATOM 0 HD23 LEU A 269 4.748 -11.860 5.468 1.00 0.00 H new ATOM 257 N SER A 270 1.627 -9.721 2.046 1.00 0.00 N ATOM 258 CA SER A 270 0.347 -9.430 1.416 1.00 0.00 C ATOM 259 C SER A 270 -0.277 -10.697 0.837 1.00 0.00 C ATOM 260 O SER A 270 -1.468 -10.950 1.020 1.00 0.00 O ATOM 261 CB SER A 270 0.533 -8.380 0.320 1.00 0.00 C ATOM 262 OG SER A 270 -0.706 -8.046 -0.281 1.00 0.00 O ATOM 0 H SER A 270 2.413 -9.200 1.658 1.00 0.00 H new ATOM 0 HA SER A 270 -0.330 -9.037 2.175 1.00 0.00 H new ATOM 0 HB2 SER A 270 0.989 -7.485 0.743 1.00 0.00 H new ATOM 0 HB3 SER A 270 1.218 -8.759 -0.438 1.00 0.00 H new ATOM 0 HG SER A 270 -1.187 -7.412 0.291 1.00 0.00 H new ATOM 268 N LEU A 271 0.535 -11.493 0.145 1.00 0.00 N ATOM 269 CA LEU A 271 0.061 -12.738 -0.452 1.00 0.00 C ATOM 270 C LEU A 271 -0.458 -13.693 0.619 1.00 0.00 C ATOM 271 O LEU A 271 -1.499 -14.327 0.446 1.00 0.00 O ATOM 272 CB LEU A 271 1.183 -13.414 -1.247 1.00 0.00 C ATOM 273 CG LEU A 271 1.642 -12.663 -2.499 1.00 0.00 C ATOM 274 CD1 LEU A 271 2.844 -13.355 -3.124 1.00 0.00 C ATOM 275 CD2 LEU A 271 0.507 -12.561 -3.507 1.00 0.00 C ATOM 0 H LEU A 271 1.523 -11.298 -0.016 1.00 0.00 H new ATOM 0 HA LEU A 271 -0.758 -12.493 -1.128 1.00 0.00 H new ATOM 0 HB2 LEU A 271 2.042 -13.549 -0.589 1.00 0.00 H new ATOM 0 HB3 LEU A 271 0.848 -14.408 -1.542 1.00 0.00 H new ATOM 0 HG LEU A 271 1.936 -11.655 -2.206 1.00 0.00 H new ATOM 0 HD11 LEU A 271 3.157 -12.808 -4.013 1.00 0.00 H new ATOM 0 HD12 LEU A 271 3.664 -13.380 -2.406 1.00 0.00 H new ATOM 0 HD13 LEU A 271 2.574 -14.374 -3.402 1.00 0.00 H new ATOM 0 HD21 LEU A 271 0.852 -12.024 -4.390 1.00 0.00 H new ATOM 0 HD22 LEU A 271 0.184 -13.562 -3.794 1.00 0.00 H new ATOM 0 HD23 LEU A 271 -0.330 -12.024 -3.060 1.00 0.00 H new ATOM 287 N LYS A 272 0.278 -13.793 1.721 1.00 0.00 N ATOM 288 CA LYS A 272 -0.101 -14.675 2.822 1.00 0.00 C ATOM 289 C LYS A 272 -1.481 -14.317 3.371 1.00 0.00 C ATOM 290 O LYS A 272 -2.307 -15.196 3.618 1.00 0.00 O ATOM 291 CB LYS A 272 0.941 -14.599 3.939 1.00 0.00 C ATOM 292 CG LYS A 272 2.335 -15.023 3.502 1.00 0.00 C ATOM 293 CD LYS A 272 2.374 -16.488 3.093 1.00 0.00 C ATOM 294 CE LYS A 272 3.755 -16.889 2.601 1.00 0.00 C ATOM 295 NZ LYS A 272 4.805 -16.630 3.624 1.00 0.00 N ATOM 0 H LYS A 272 1.142 -13.274 1.877 1.00 0.00 H new ATOM 0 HA LYS A 272 -0.144 -15.694 2.437 1.00 0.00 H new ATOM 0 HB2 LYS A 272 0.983 -13.577 4.316 1.00 0.00 H new ATOM 0 HB3 LYS A 272 0.621 -15.232 4.767 1.00 0.00 H new ATOM 0 HG2 LYS A 272 2.659 -14.403 2.666 1.00 0.00 H new ATOM 0 HG3 LYS A 272 3.039 -14.853 4.316 1.00 0.00 H new ATOM 0 HD2 LYS A 272 2.093 -17.112 3.941 1.00 0.00 H new ATOM 0 HD3 LYS A 272 1.640 -16.668 2.308 1.00 0.00 H new ATOM 0 HE2 LYS A 272 3.755 -17.948 2.341 1.00 0.00 H new ATOM 0 HE3 LYS A 272 3.991 -16.337 1.691 1.00 0.00 H new ATOM 0 HZ1 LYS A 272 5.690 -17.096 3.339 1.00 0.00 H new ATOM 0 HZ2 LYS A 272 4.965 -15.606 3.706 1.00 0.00 H new ATOM 0 HZ3 LYS A 272 4.495 -17.007 4.543 1.00 0.00 H new ATOM 396 N MET B 1 -15.399 2.862 3.384 1.00 0.00 N ATOM 397 CA MET B 1 -14.308 1.879 3.614 1.00 0.00 C ATOM 398 C MET B 1 -13.275 2.417 4.599 1.00 0.00 C ATOM 399 O MET B 1 -12.811 3.549 4.467 1.00 0.00 O ATOM 400 CB MET B 1 -13.639 1.572 2.274 1.00 0.00 C ATOM 401 CG MET B 1 -12.461 0.618 2.388 1.00 0.00 C ATOM 402 SD MET B 1 -11.593 0.392 0.823 1.00 0.00 S ATOM 403 CE MET B 1 -12.901 -0.280 -0.197 1.00 0.00 C ATOM 0 H1 MET B 1 -16.086 2.467 2.710 1.00 0.00 H new ATOM 0 H2 MET B 1 -15.877 3.067 4.285 1.00 0.00 H new ATOM 0 H3 MET B 1 -14.999 3.740 2.996 1.00 0.00 H new ATOM 0 HA MET B 1 -14.733 0.972 4.044 1.00 0.00 H new ATOM 0 HB2 MET B 1 -14.379 1.144 1.597 1.00 0.00 H new ATOM 0 HB3 MET B 1 -13.298 2.505 1.825 1.00 0.00 H new ATOM 0 HG2 MET B 1 -11.763 0.997 3.134 1.00 0.00 H new ATOM 0 HG3 MET B 1 -12.815 -0.349 2.745 1.00 0.00 H new ATOM 0 HE1 MET B 1 -12.473 -0.702 -1.107 1.00 0.00 H new ATOM 0 HE2 MET B 1 -13.426 -1.061 0.353 1.00 0.00 H new ATOM 0 HE3 MET B 1 -13.602 0.513 -0.459 1.00 0.00 H new ATOM 415 N GLN B 2 -12.917 1.594 5.580 1.00 0.00 N ATOM 416 CA GLN B 2 -11.936 1.977 6.590 1.00 0.00 C ATOM 417 C GLN B 2 -10.732 1.039 6.556 1.00 0.00 C ATOM 418 O GLN B 2 -10.593 0.161 7.407 1.00 0.00 O ATOM 419 CB GLN B 2 -12.565 1.972 7.988 1.00 0.00 C ATOM 420 CG GLN B 2 -13.690 2.984 8.163 1.00 0.00 C ATOM 421 CD GLN B 2 -14.989 2.571 7.490 1.00 0.00 C ATOM 422 OE1 GLN B 2 -15.927 3.363 7.397 1.00 0.00 O ATOM 423 NE2 GLN B 2 -15.066 1.322 7.039 1.00 0.00 N ATOM 0 H GLN B 2 -13.294 0.653 5.697 1.00 0.00 H new ATOM 0 HA GLN B 2 -11.598 2.988 6.363 1.00 0.00 H new ATOM 0 HB2 GLN B 2 -12.951 0.975 8.198 1.00 0.00 H new ATOM 0 HB3 GLN B 2 -11.789 2.175 8.726 1.00 0.00 H new ATOM 0 HG2 GLN B 2 -13.873 3.131 9.227 1.00 0.00 H new ATOM 0 HG3 GLN B 2 -13.370 3.944 7.758 1.00 0.00 H new ATOM 0 HE21 GLN B 2 -14.267 0.695 7.134 1.00 0.00 H new ATOM 0 HE22 GLN B 2 -15.924 0.991 6.598 1.00 0.00 H new ATOM 432 N ILE B 3 -9.866 1.229 5.564 1.00 0.00 N ATOM 433 CA ILE B 3 -8.675 0.399 5.412 1.00 0.00 C ATOM 434 C ILE B 3 -7.499 0.970 6.196 1.00 0.00 C ATOM 435 O ILE B 3 -7.337 2.186 6.289 1.00 0.00 O ATOM 436 CB ILE B 3 -8.271 0.259 3.932 1.00 0.00 C ATOM 437 CG1 ILE B 3 -8.048 1.640 3.308 1.00 0.00 C ATOM 438 CG2 ILE B 3 -9.332 -0.517 3.169 1.00 0.00 C ATOM 439 CD1 ILE B 3 -7.580 1.592 1.869 1.00 0.00 C ATOM 0 H ILE B 3 -9.967 1.952 4.852 1.00 0.00 H new ATOM 0 HA ILE B 3 -8.926 -0.585 5.807 1.00 0.00 H new ATOM 0 HB ILE B 3 -7.334 -0.295 3.873 1.00 0.00 H new ATOM 0 HG12 ILE B 3 -8.978 2.206 3.359 1.00 0.00 H new ATOM 0 HG13 ILE B 3 -7.312 2.182 3.902 1.00 0.00 H new ATOM 0 HG21 ILE B 3 -9.035 -0.609 2.124 1.00 0.00 H new ATOM 0 HG22 ILE B 3 -9.440 -1.510 3.604 1.00 0.00 H new ATOM 0 HG23 ILE B 3 -10.284 0.011 3.230 1.00 0.00 H new ATOM 0 HD11 ILE B 3 -7.444 2.607 1.497 1.00 0.00 H new ATOM 0 HD12 ILE B 3 -6.633 1.055 1.812 1.00 0.00 H new ATOM 0 HD13 ILE B 3 -8.325 1.079 1.261 1.00 0.00 H new ATOM 451 N PHE B 4 -6.678 0.087 6.757 1.00 0.00 N ATOM 452 CA PHE B 4 -5.517 0.518 7.526 1.00 0.00 C ATOM 453 C PHE B 4 -4.225 0.385 6.727 1.00 0.00 C ATOM 454 O PHE B 4 -3.921 -0.679 6.186 1.00 0.00 O ATOM 455 CB PHE B 4 -5.398 -0.274 8.829 1.00 0.00 C ATOM 456 CG PHE B 4 -6.327 0.201 9.907 1.00 0.00 C ATOM 457 CD1 PHE B 4 -7.680 -0.095 9.866 1.00 0.00 C ATOM 458 CD2 PHE B 4 -5.842 0.957 10.960 1.00 0.00 C ATOM 459 CE1 PHE B 4 -8.531 0.354 10.859 1.00 0.00 C ATOM 460 CE2 PHE B 4 -6.684 1.409 11.954 1.00 0.00 C ATOM 461 CZ PHE B 4 -8.032 1.108 11.904 1.00 0.00 C ATOM 0 H PHE B 4 -6.794 -0.924 6.694 1.00 0.00 H new ATOM 0 HA PHE B 4 -5.668 1.572 7.760 1.00 0.00 H new ATOM 0 HB2 PHE B 4 -5.599 -1.326 8.625 1.00 0.00 H new ATOM 0 HB3 PHE B 4 -4.372 -0.210 9.191 1.00 0.00 H new ATOM 0 HD1 PHE B 4 -8.074 -0.683 9.050 1.00 0.00 H new ATOM 0 HD2 PHE B 4 -4.790 1.196 11.004 1.00 0.00 H new ATOM 0 HE1 PHE B 4 -9.584 0.116 10.818 1.00 0.00 H new ATOM 0 HE2 PHE B 4 -6.291 1.997 12.770 1.00 0.00 H new ATOM 0 HZ PHE B 4 -8.694 1.462 12.680 1.00 0.00 H new ATOM 471 N VAL B 5 -3.460 1.472 6.678 1.00 0.00 N ATOM 472 CA VAL B 5 -2.186 1.484 5.972 1.00 0.00 C ATOM 473 C VAL B 5 -1.078 0.972 6.886 1.00 0.00 C ATOM 474 O VAL B 5 -0.972 1.396 8.037 1.00 0.00 O ATOM 475 CB VAL B 5 -1.826 2.899 5.477 1.00 0.00 C ATOM 476 CG1 VAL B 5 -0.498 2.887 4.735 1.00 0.00 C ATOM 477 CG2 VAL B 5 -2.934 3.454 4.592 1.00 0.00 C ATOM 0 H VAL B 5 -3.703 2.358 7.121 1.00 0.00 H new ATOM 0 HA VAL B 5 -2.283 0.831 5.104 1.00 0.00 H new ATOM 0 HB VAL B 5 -1.724 3.550 6.345 1.00 0.00 H new ATOM 0 HG11 VAL B 5 -0.263 3.895 4.394 1.00 0.00 H new ATOM 0 HG12 VAL B 5 0.289 2.537 5.403 1.00 0.00 H new ATOM 0 HG13 VAL B 5 -0.567 2.220 3.875 1.00 0.00 H new ATOM 0 HG21 VAL B 5 -2.662 4.453 4.252 1.00 0.00 H new ATOM 0 HG22 VAL B 5 -3.071 2.802 3.729 1.00 0.00 H new ATOM 0 HG23 VAL B 5 -3.863 3.504 5.160 1.00 0.00 H new ATOM 487 N LYS B 6 -0.264 0.053 6.375 1.00 0.00 N ATOM 488 CA LYS B 6 0.825 -0.521 7.157 1.00 0.00 C ATOM 489 C LYS B 6 2.187 -0.114 6.600 1.00 0.00 C ATOM 490 O LYS B 6 2.477 -0.317 5.418 1.00 0.00 O ATOM 491 CB LYS B 6 0.708 -2.046 7.182 1.00 0.00 C ATOM 492 CG LYS B 6 1.744 -2.724 8.063 1.00 0.00 C ATOM 493 CD LYS B 6 1.593 -4.236 8.036 1.00 0.00 C ATOM 494 CE LYS B 6 2.611 -4.914 8.938 1.00 0.00 C ATOM 495 NZ LYS B 6 2.494 -6.398 8.888 1.00 0.00 N ATOM 0 H LYS B 6 -0.338 -0.309 5.424 1.00 0.00 H new ATOM 0 HA LYS B 6 0.746 -0.134 8.173 1.00 0.00 H new ATOM 0 HB2 LYS B 6 -0.288 -2.319 7.531 1.00 0.00 H new ATOM 0 HB3 LYS B 6 0.805 -2.426 6.165 1.00 0.00 H new ATOM 0 HG2 LYS B 6 2.744 -2.451 7.727 1.00 0.00 H new ATOM 0 HG3 LYS B 6 1.643 -2.365 9.087 1.00 0.00 H new ATOM 0 HD2 LYS B 6 0.586 -4.508 8.353 1.00 0.00 H new ATOM 0 HD3 LYS B 6 1.713 -4.596 7.014 1.00 0.00 H new ATOM 0 HE2 LYS B 6 3.616 -4.619 8.638 1.00 0.00 H new ATOM 0 HE3 LYS B 6 2.472 -4.573 9.964 1.00 0.00 H new ATOM 0 HZ1 LYS B 6 3.205 -6.824 9.516 1.00 0.00 H new ATOM 0 HZ2 LYS B 6 1.543 -6.682 9.199 1.00 0.00 H new ATOM 0 HZ3 LYS B 6 2.652 -6.726 7.914 1.00 0.00 H new ATOM 509 N THR B 7 3.018 0.457 7.467 1.00 0.00 N ATOM 510 CA THR B 7 4.354 0.897 7.083 1.00 0.00 C ATOM 511 C THR B 7 5.379 -0.221 7.255 1.00 0.00 C ATOM 512 O THR B 7 5.207 -1.110 8.089 1.00 0.00 O ATOM 513 CB THR B 7 4.798 2.119 7.908 1.00 0.00 C ATOM 514 OG1 THR B 7 4.810 1.792 9.302 1.00 0.00 O ATOM 515 CG2 THR B 7 3.866 3.297 7.665 1.00 0.00 C ATOM 0 H THR B 7 2.787 0.626 8.446 1.00 0.00 H new ATOM 0 HA THR B 7 4.304 1.175 6.030 1.00 0.00 H new ATOM 0 HB THR B 7 5.804 2.398 7.595 1.00 0.00 H new ATOM 0 HG1 THR B 7 5.095 2.574 9.819 1.00 0.00 H new ATOM 0 HG21 THR B 7 4.197 4.151 8.257 1.00 0.00 H new ATOM 0 HG22 THR B 7 3.881 3.561 6.608 1.00 0.00 H new ATOM 0 HG23 THR B 7 2.852 3.025 7.956 1.00 0.00 H new ATOM 563 N LYS B 11 3.465 -0.043 11.463 1.00 0.00 N ATOM 564 CA LYS B 11 2.455 0.865 11.994 1.00 0.00 C ATOM 565 C LYS B 11 1.221 0.912 11.097 1.00 0.00 C ATOM 566 O LYS B 11 1.323 1.141 9.891 1.00 0.00 O ATOM 567 CB LYS B 11 3.041 2.271 12.138 1.00 0.00 C ATOM 568 CG LYS B 11 2.080 3.280 12.750 1.00 0.00 C ATOM 569 CD LYS B 11 1.714 2.910 14.177 1.00 0.00 C ATOM 570 CE LYS B 11 0.785 3.940 14.799 1.00 0.00 C ATOM 571 NZ LYS B 11 0.459 3.610 16.213 1.00 0.00 N ATOM 0 HA LYS B 11 2.150 0.492 12.972 1.00 0.00 H new ATOM 0 HB2 LYS B 11 3.938 2.219 12.754 1.00 0.00 H new ATOM 0 HB3 LYS B 11 3.350 2.628 11.155 1.00 0.00 H new ATOM 0 HG2 LYS B 11 2.534 4.271 12.736 1.00 0.00 H new ATOM 0 HG3 LYS B 11 1.175 3.335 12.144 1.00 0.00 H new ATOM 0 HD2 LYS B 11 1.234 1.932 14.188 1.00 0.00 H new ATOM 0 HD3 LYS B 11 2.621 2.827 14.776 1.00 0.00 H new ATOM 0 HE2 LYS B 11 1.252 4.924 14.754 1.00 0.00 H new ATOM 0 HE3 LYS B 11 -0.135 3.997 14.218 1.00 0.00 H new ATOM 0 HZ1 LYS B 11 -0.176 4.336 16.601 1.00 0.00 H new ATOM 0 HZ2 LYS B 11 -0.009 2.682 16.254 1.00 0.00 H new ATOM 0 HZ3 LYS B 11 1.335 3.581 16.773 1.00 0.00 H new ATOM 585 N THR B 12 0.055 0.700 11.703 1.00 0.00 N ATOM 586 CA THR B 12 -1.208 0.725 10.980 1.00 0.00 C ATOM 587 C THR B 12 -1.965 2.020 11.249 1.00 0.00 C ATOM 588 O THR B 12 -1.992 2.508 12.379 1.00 0.00 O ATOM 589 CB THR B 12 -2.100 -0.465 11.373 1.00 0.00 C ATOM 590 OG1 THR B 12 -2.259 -0.511 12.796 1.00 0.00 O ATOM 591 CG2 THR B 12 -1.508 -1.776 10.877 1.00 0.00 C ATOM 0 H THR B 12 -0.038 0.508 12.700 1.00 0.00 H new ATOM 0 HA THR B 12 -0.969 0.658 9.919 1.00 0.00 H new ATOM 0 HB THR B 12 -3.075 -0.329 10.905 1.00 0.00 H new ATOM 0 HG1 THR B 12 -2.830 -1.270 13.037 1.00 0.00 H new ATOM 0 HG21 THR B 12 -2.158 -2.602 11.168 1.00 0.00 H new ATOM 0 HG22 THR B 12 -1.421 -1.748 9.791 1.00 0.00 H new ATOM 0 HG23 THR B 12 -0.521 -1.919 11.317 1.00 0.00 H new ATOM 599 N ILE B 13 -2.578 2.577 10.207 1.00 0.00 N ATOM 600 CA ILE B 13 -3.330 3.820 10.345 1.00 0.00 C ATOM 601 C ILE B 13 -4.691 3.737 9.663 1.00 0.00 C ATOM 602 O ILE B 13 -4.803 3.254 8.537 1.00 0.00 O ATOM 603 CB ILE B 13 -2.564 5.015 9.745 1.00 0.00 C ATOM 604 CG1 ILE B 13 -1.202 5.183 10.425 1.00 0.00 C ATOM 605 CG2 ILE B 13 -3.394 6.285 9.872 1.00 0.00 C ATOM 606 CD1 ILE B 13 -1.287 5.465 11.911 1.00 0.00 C ATOM 0 H ILE B 13 -2.569 2.189 9.264 1.00 0.00 H new ATOM 0 HA ILE B 13 -3.468 3.970 11.416 1.00 0.00 H new ATOM 0 HB ILE B 13 -2.388 4.821 8.687 1.00 0.00 H new ATOM 0 HG12 ILE B 13 -0.616 4.277 10.270 1.00 0.00 H new ATOM 0 HG13 ILE B 13 -0.664 5.998 9.941 1.00 0.00 H new ATOM 0 HG21 ILE B 13 -2.844 7.123 9.445 1.00 0.00 H new ATOM 0 HG22 ILE B 13 -4.336 6.159 9.338 1.00 0.00 H new ATOM 0 HG23 ILE B 13 -3.598 6.483 10.924 1.00 0.00 H new ATOM 0 HD11 ILE B 13 -0.282 5.571 12.319 1.00 0.00 H new ATOM 0 HD12 ILE B 13 -1.844 6.387 12.075 1.00 0.00 H new ATOM 0 HD13 ILE B 13 -1.796 4.640 12.409 1.00 0.00 H new ATOM 618 N THR B 14 -5.719 4.235 10.344 1.00 0.00 N ATOM 619 CA THR B 14 -7.069 4.241 9.794 1.00 0.00 C ATOM 620 C THR B 14 -7.109 5.087 8.528 1.00 0.00 C ATOM 621 O THR B 14 -6.565 6.191 8.500 1.00 0.00 O ATOM 622 CB THR B 14 -8.088 4.810 10.802 1.00 0.00 C ATOM 623 OG1 THR B 14 -8.016 4.092 12.038 1.00 0.00 O ATOM 624 CG2 THR B 14 -9.503 4.730 10.247 1.00 0.00 C ATOM 0 H THR B 14 -5.642 4.639 11.277 1.00 0.00 H new ATOM 0 HA THR B 14 -7.337 3.209 9.570 1.00 0.00 H new ATOM 0 HB THR B 14 -7.840 5.857 10.977 1.00 0.00 H new ATOM 0 HG1 THR B 14 -7.593 3.221 11.886 1.00 0.00 H new ATOM 0 HG21 THR B 14 -10.203 5.137 10.976 1.00 0.00 H new ATOM 0 HG22 THR B 14 -9.565 5.306 9.324 1.00 0.00 H new ATOM 0 HG23 THR B 14 -9.756 3.689 10.043 1.00 0.00 H new ATOM 632 N LEU B 15 -7.744 4.576 7.479 1.00 0.00 N ATOM 633 CA LEU B 15 -7.826 5.315 6.229 1.00 0.00 C ATOM 634 C LEU B 15 -9.162 5.078 5.535 1.00 0.00 C ATOM 635 O LEU B 15 -9.453 3.972 5.079 1.00 0.00 O ATOM 636 CB LEU B 15 -6.670 4.912 5.309 1.00 0.00 C ATOM 637 CG LEU B 15 -6.644 5.609 3.947 1.00 0.00 C ATOM 638 CD1 LEU B 15 -6.496 7.113 4.118 1.00 0.00 C ATOM 639 CD2 LEU B 15 -5.518 5.056 3.089 1.00 0.00 C ATOM 0 H LEU B 15 -8.203 3.665 7.470 1.00 0.00 H new ATOM 0 HA LEU B 15 -7.751 6.379 6.455 1.00 0.00 H new ATOM 0 HB2 LEU B 15 -5.731 5.118 5.822 1.00 0.00 H new ATOM 0 HB3 LEU B 15 -6.715 3.835 5.147 1.00 0.00 H new ATOM 0 HG LEU B 15 -7.590 5.414 3.442 1.00 0.00 H new ATOM 0 HD11 LEU B 15 -6.480 7.591 3.138 1.00 0.00 H new ATOM 0 HD12 LEU B 15 -7.337 7.498 4.695 1.00 0.00 H new ATOM 0 HD13 LEU B 15 -5.566 7.330 4.643 1.00 0.00 H new ATOM 0 HD21 LEU B 15 -5.514 5.562 2.124 1.00 0.00 H new ATOM 0 HD22 LEU B 15 -4.564 5.221 3.590 1.00 0.00 H new ATOM 0 HD23 LEU B 15 -5.668 3.987 2.937 1.00 0.00 H new ATOM 651 N GLU B 16 -9.968 6.133 5.459 1.00 0.00 N ATOM 652 CA GLU B 16 -11.276 6.057 4.820 1.00 0.00 C ATOM 653 C GLU B 16 -11.163 6.420 3.345 1.00 0.00 C ATOM 654 O GLU B 16 -10.601 7.459 2.998 1.00 0.00 O ATOM 655 CB GLU B 16 -12.262 6.990 5.535 1.00 0.00 C ATOM 656 CG GLU B 16 -13.712 6.846 5.084 1.00 0.00 C ATOM 657 CD GLU B 16 -14.069 7.726 3.898 1.00 0.00 C ATOM 658 OE1 GLU B 16 -13.547 7.485 2.791 1.00 0.00 O ATOM 659 OE2 GLU B 16 -14.877 8.662 4.079 1.00 0.00 O ATOM 0 H GLU B 16 -9.736 7.053 5.834 1.00 0.00 H new ATOM 0 HA GLU B 16 -11.650 5.036 4.893 1.00 0.00 H new ATOM 0 HB2 GLU B 16 -12.208 6.801 6.607 1.00 0.00 H new ATOM 0 HB3 GLU B 16 -11.946 8.021 5.376 1.00 0.00 H new ATOM 0 HG2 GLU B 16 -13.901 5.805 4.823 1.00 0.00 H new ATOM 0 HG3 GLU B 16 -14.369 7.090 5.918 1.00 0.00 H new ATOM 666 N VAL B 17 -11.699 5.563 2.478 1.00 0.00 N ATOM 667 CA VAL B 17 -11.650 5.806 1.037 1.00 0.00 C ATOM 668 C VAL B 17 -12.843 5.183 0.317 1.00 0.00 C ATOM 669 O VAL B 17 -13.161 4.010 0.513 1.00 0.00 O ATOM 670 CB VAL B 17 -10.353 5.253 0.408 1.00 0.00 C ATOM 671 CG1 VAL B 17 -9.141 6.047 0.871 1.00 0.00 C ATOM 672 CG2 VAL B 17 -10.184 3.779 0.741 1.00 0.00 C ATOM 0 H VAL B 17 -12.170 4.699 2.746 1.00 0.00 H new ATOM 0 HA VAL B 17 -11.679 6.889 0.913 1.00 0.00 H new ATOM 0 HB VAL B 17 -10.432 5.357 -0.674 1.00 0.00 H new ATOM 0 HG11 VAL B 17 -8.241 5.637 0.413 1.00 0.00 H new ATOM 0 HG12 VAL B 17 -9.255 7.090 0.576 1.00 0.00 H new ATOM 0 HG13 VAL B 17 -9.057 5.984 1.956 1.00 0.00 H new ATOM 0 HG21 VAL B 17 -9.264 3.407 0.289 1.00 0.00 H new ATOM 0 HG22 VAL B 17 -10.133 3.654 1.823 1.00 0.00 H new ATOM 0 HG23 VAL B 17 -11.033 3.218 0.350 1.00 0.00 H new ATOM 682 N GLU B 18 -13.493 5.980 -0.526 1.00 0.00 N ATOM 683 CA GLU B 18 -14.644 5.515 -1.290 1.00 0.00 C ATOM 684 C GLU B 18 -14.196 4.659 -2.470 1.00 0.00 C ATOM 685 O GLU B 18 -13.177 4.942 -3.100 1.00 0.00 O ATOM 686 CB GLU B 18 -15.468 6.706 -1.785 1.00 0.00 C ATOM 687 CG GLU B 18 -15.970 7.603 -0.666 1.00 0.00 C ATOM 688 CD GLU B 18 -16.883 6.873 0.300 1.00 0.00 C ATOM 689 OE1 GLU B 18 -17.938 6.373 -0.144 1.00 0.00 O ATOM 690 OE2 GLU B 18 -16.542 6.798 1.499 1.00 0.00 O ATOM 0 H GLU B 18 -13.241 6.953 -0.697 1.00 0.00 H new ATOM 0 HA GLU B 18 -15.266 4.904 -0.636 1.00 0.00 H new ATOM 0 HB2 GLU B 18 -14.861 7.298 -2.470 1.00 0.00 H new ATOM 0 HB3 GLU B 18 -16.321 6.336 -2.354 1.00 0.00 H new ATOM 0 HG2 GLU B 18 -15.118 8.008 -0.120 1.00 0.00 H new ATOM 0 HG3 GLU B 18 -16.505 8.450 -1.096 1.00 0.00 H new ATOM 697 N SER B 19 -14.960 3.611 -2.760 1.00 0.00 N ATOM 698 CA SER B 19 -14.641 2.709 -3.863 1.00 0.00 C ATOM 699 C SER B 19 -14.460 3.479 -5.168 1.00 0.00 C ATOM 700 O SER B 19 -13.599 3.145 -5.982 1.00 0.00 O ATOM 701 CB SER B 19 -15.742 1.661 -4.028 1.00 0.00 C ATOM 702 OG SER B 19 -15.917 0.914 -2.837 1.00 0.00 O ATOM 0 H SER B 19 -15.806 3.364 -2.246 1.00 0.00 H new ATOM 0 HA SER B 19 -13.702 2.209 -3.625 1.00 0.00 H new ATOM 0 HB2 SER B 19 -16.678 2.151 -4.294 1.00 0.00 H new ATOM 0 HB3 SER B 19 -15.489 0.989 -4.848 1.00 0.00 H new ATOM 0 HG SER B 19 -16.628 0.252 -2.968 1.00 0.00 H new ATOM 708 N SER B 20 -15.280 4.507 -5.362 1.00 0.00 N ATOM 709 CA SER B 20 -15.215 5.323 -6.570 1.00 0.00 C ATOM 710 C SER B 20 -13.827 5.933 -6.746 1.00 0.00 C ATOM 711 O SER B 20 -13.268 5.919 -7.843 1.00 0.00 O ATOM 712 CB SER B 20 -16.272 6.428 -6.520 1.00 0.00 C ATOM 713 OG SER B 20 -16.067 7.282 -5.407 1.00 0.00 O ATOM 0 H SER B 20 -15.998 4.795 -4.698 1.00 0.00 H new ATOM 0 HA SER B 20 -15.415 4.677 -7.425 1.00 0.00 H new ATOM 0 HB2 SER B 20 -16.237 7.011 -7.440 1.00 0.00 H new ATOM 0 HB3 SER B 20 -17.265 5.983 -6.462 1.00 0.00 H new ATOM 0 HG SER B 20 -16.755 7.980 -5.399 1.00 0.00 H new ATOM 719 N ASP B 21 -13.274 6.467 -5.660 1.00 0.00 N ATOM 720 CA ASP B 21 -11.950 7.080 -5.698 1.00 0.00 C ATOM 721 C ASP B 21 -10.882 6.051 -6.054 1.00 0.00 C ATOM 722 O ASP B 21 -10.821 4.974 -5.459 1.00 0.00 O ATOM 723 CB ASP B 21 -11.628 7.723 -4.348 1.00 0.00 C ATOM 724 CG ASP B 21 -12.606 8.823 -3.985 1.00 0.00 C ATOM 725 OD1 ASP B 21 -12.698 9.810 -4.745 1.00 0.00 O ATOM 726 OD2 ASP B 21 -13.281 8.696 -2.942 1.00 0.00 O ATOM 0 H ASP B 21 -13.722 6.487 -4.744 1.00 0.00 H new ATOM 0 HA ASP B 21 -11.954 7.850 -6.469 1.00 0.00 H new ATOM 0 HB2 ASP B 21 -11.641 6.958 -3.572 1.00 0.00 H new ATOM 0 HB3 ASP B 21 -10.618 8.132 -4.375 1.00 0.00 H new ATOM 731 N THR B 22 -10.042 6.389 -7.028 1.00 0.00 N ATOM 732 CA THR B 22 -8.976 5.493 -7.464 1.00 0.00 C ATOM 733 C THR B 22 -7.865 5.404 -6.420 1.00 0.00 C ATOM 734 O THR B 22 -8.091 5.657 -5.236 1.00 0.00 O ATOM 735 CB THR B 22 -8.376 5.958 -8.804 1.00 0.00 C ATOM 736 OG1 THR B 22 -7.833 7.277 -8.666 1.00 0.00 O ATOM 737 CG2 THR B 22 -9.431 5.952 -9.899 1.00 0.00 C ATOM 0 H THR B 22 -10.079 7.276 -7.530 1.00 0.00 H new ATOM 0 HA THR B 22 -9.421 4.506 -7.593 1.00 0.00 H new ATOM 0 HB THR B 22 -7.582 5.265 -9.082 1.00 0.00 H new ATOM 0 HG1 THR B 22 -7.452 7.565 -9.522 1.00 0.00 H new ATOM 0 HG21 THR B 22 -8.984 6.284 -10.836 1.00 0.00 H new ATOM 0 HG22 THR B 22 -9.823 4.942 -10.021 1.00 0.00 H new ATOM 0 HG23 THR B 22 -10.243 6.626 -9.625 1.00 0.00 H new ATOM 745 N ILE B 23 -6.662 5.050 -6.868 1.00 0.00 N ATOM 746 CA ILE B 23 -5.517 4.935 -5.973 1.00 0.00 C ATOM 747 C ILE B 23 -4.941 6.309 -5.647 1.00 0.00 C ATOM 748 O ILE B 23 -4.645 6.603 -4.489 1.00 0.00 O ATOM 749 CB ILE B 23 -4.412 4.044 -6.577 1.00 0.00 C ATOM 750 CG1 ILE B 23 -4.915 2.603 -6.735 1.00 0.00 C ATOM 751 CG2 ILE B 23 -3.159 4.084 -5.713 1.00 0.00 C ATOM 752 CD1 ILE B 23 -5.275 1.929 -5.426 1.00 0.00 C ATOM 0 H ILE B 23 -6.457 4.838 -7.845 1.00 0.00 H new ATOM 0 HA ILE B 23 -5.875 4.469 -5.055 1.00 0.00 H new ATOM 0 HB ILE B 23 -4.157 4.430 -7.564 1.00 0.00 H new ATOM 0 HG12 ILE B 23 -5.790 2.604 -7.384 1.00 0.00 H new ATOM 0 HG13 ILE B 23 -4.147 2.014 -7.236 1.00 0.00 H new ATOM 0 HG21 ILE B 23 -2.391 3.449 -6.156 1.00 0.00 H new ATOM 0 HG22 ILE B 23 -2.792 5.108 -5.652 1.00 0.00 H new ATOM 0 HG23 ILE B 23 -3.396 3.723 -4.712 1.00 0.00 H new ATOM 0 HD11 ILE B 23 -5.622 0.914 -5.622 1.00 0.00 H new ATOM 0 HD12 ILE B 23 -4.397 1.894 -4.781 1.00 0.00 H new ATOM 0 HD13 ILE B 23 -6.066 2.493 -4.932 1.00 0.00 H new ATOM 764 N ASP B 24 -4.785 7.143 -6.675 1.00 0.00 N ATOM 765 CA ASP B 24 -4.245 8.490 -6.497 1.00 0.00 C ATOM 766 C ASP B 24 -4.916 9.194 -5.321 1.00 0.00 C ATOM 767 O ASP B 24 -4.247 9.811 -4.491 1.00 0.00 O ATOM 768 CB ASP B 24 -4.441 9.315 -7.770 1.00 0.00 C ATOM 769 CG ASP B 24 -3.734 8.712 -8.967 1.00 0.00 C ATOM 770 OD1 ASP B 24 -2.494 8.580 -8.918 1.00 0.00 O ATOM 771 OD2 ASP B 24 -4.422 8.372 -9.952 1.00 0.00 O ATOM 0 H ASP B 24 -5.025 6.910 -7.639 1.00 0.00 H new ATOM 0 HA ASP B 24 -3.179 8.400 -6.288 1.00 0.00 H new ATOM 0 HB2 ASP B 24 -5.506 9.398 -7.985 1.00 0.00 H new ATOM 0 HB3 ASP B 24 -4.070 10.326 -7.604 1.00 0.00 H new ATOM 776 N ASN B 25 -6.240 9.086 -5.250 1.00 0.00 N ATOM 777 CA ASN B 25 -7.000 9.702 -4.168 1.00 0.00 C ATOM 778 C ASN B 25 -6.515 9.178 -2.821 1.00 0.00 C ATOM 779 O ASN B 25 -6.246 9.952 -1.896 1.00 0.00 O ATOM 780 CB ASN B 25 -8.493 9.413 -4.341 1.00 0.00 C ATOM 781 CG ASN B 25 -9.338 10.032 -3.245 1.00 0.00 C ATOM 782 OD1 ASN B 25 -9.174 9.717 -2.067 1.00 0.00 O ATOM 783 ND2 ASN B 25 -10.251 10.916 -3.629 1.00 0.00 N ATOM 0 H ASN B 25 -6.808 8.578 -5.928 1.00 0.00 H new ATOM 0 HA ASN B 25 -6.846 10.781 -4.200 1.00 0.00 H new ATOM 0 HB2 ASN B 25 -8.823 9.793 -5.308 1.00 0.00 H new ATOM 0 HB3 ASN B 25 -8.652 8.335 -4.352 1.00 0.00 H new ATOM 0 HD21 ASN B 25 -10.851 11.364 -2.936 1.00 0.00 H new ATOM 0 HD22 ASN B 25 -10.353 11.148 -4.617 1.00 0.00 H new ATOM 790 N VAL B 26 -6.387 7.858 -2.726 1.00 0.00 N ATOM 791 CA VAL B 26 -5.914 7.226 -1.505 1.00 0.00 C ATOM 792 C VAL B 26 -4.552 7.787 -1.124 1.00 0.00 C ATOM 793 O VAL B 26 -4.287 8.060 0.044 1.00 0.00 O ATOM 794 CB VAL B 26 -5.812 5.696 -1.665 1.00 0.00 C ATOM 795 CG1 VAL B 26 -5.341 5.048 -0.372 1.00 0.00 C ATOM 796 CG2 VAL B 26 -7.148 5.116 -2.105 1.00 0.00 C ATOM 0 H VAL B 26 -6.605 7.208 -3.481 1.00 0.00 H new ATOM 0 HA VAL B 26 -6.637 7.441 -0.718 1.00 0.00 H new ATOM 0 HB VAL B 26 -5.074 5.481 -2.438 1.00 0.00 H new ATOM 0 HG11 VAL B 26 -5.276 3.969 -0.508 1.00 0.00 H new ATOM 0 HG12 VAL B 26 -4.359 5.439 -0.105 1.00 0.00 H new ATOM 0 HG13 VAL B 26 -6.049 5.271 0.426 1.00 0.00 H new ATOM 0 HG21 VAL B 26 -7.058 4.035 -2.213 1.00 0.00 H new ATOM 0 HG22 VAL B 26 -7.908 5.344 -1.357 1.00 0.00 H new ATOM 0 HG23 VAL B 26 -7.437 5.553 -3.061 1.00 0.00 H new ATOM 806 N LYS B 27 -3.699 7.973 -2.129 1.00 0.00 N ATOM 807 CA LYS B 27 -2.366 8.522 -1.915 1.00 0.00 C ATOM 808 C LYS B 27 -2.455 9.906 -1.287 1.00 0.00 C ATOM 809 O LYS B 27 -1.677 10.245 -0.397 1.00 0.00 O ATOM 810 CB LYS B 27 -1.604 8.602 -3.239 1.00 0.00 C ATOM 811 CG LYS B 27 -1.314 7.247 -3.860 1.00 0.00 C ATOM 812 CD LYS B 27 -0.371 6.429 -2.994 1.00 0.00 C ATOM 813 CE LYS B 27 -0.088 5.071 -3.615 1.00 0.00 C ATOM 814 NZ LYS B 27 0.554 5.193 -4.953 1.00 0.00 N ATOM 0 H LYS B 27 -3.910 7.750 -3.102 1.00 0.00 H new ATOM 0 HA LYS B 27 -1.828 7.860 -1.236 1.00 0.00 H new ATOM 0 HB2 LYS B 27 -2.182 9.199 -3.945 1.00 0.00 H new ATOM 0 HB3 LYS B 27 -0.662 9.125 -3.075 1.00 0.00 H new ATOM 0 HG2 LYS B 27 -2.248 6.702 -3.999 1.00 0.00 H new ATOM 0 HG3 LYS B 27 -0.875 7.385 -4.848 1.00 0.00 H new ATOM 0 HD2 LYS B 27 0.565 6.971 -2.859 1.00 0.00 H new ATOM 0 HD3 LYS B 27 -0.807 6.295 -2.004 1.00 0.00 H new ATOM 0 HE2 LYS B 27 0.560 4.497 -2.953 1.00 0.00 H new ATOM 0 HE3 LYS B 27 -1.020 4.514 -3.709 1.00 0.00 H new ATOM 0 HZ1 LYS B 27 1.358 4.536 -5.014 1.00 0.00 H new ATOM 0 HZ2 LYS B 27 -0.139 4.961 -5.693 1.00 0.00 H new ATOM 0 HZ3 LYS B 27 0.892 6.167 -5.088 1.00 0.00 H new ATOM 828 N SER B 28 -3.412 10.701 -1.759 1.00 0.00 N ATOM 829 CA SER B 28 -3.607 12.049 -1.242 1.00 0.00 C ATOM 830 C SER B 28 -3.922 12.009 0.249 1.00 0.00 C ATOM 831 O SER B 28 -3.322 12.740 1.039 1.00 0.00 O ATOM 832 CB SER B 28 -4.734 12.753 -1.999 1.00 0.00 C ATOM 833 OG SER B 28 -4.925 14.072 -1.518 1.00 0.00 O ATOM 0 H SER B 28 -4.063 10.434 -2.498 1.00 0.00 H new ATOM 0 HA SER B 28 -2.683 12.609 -1.388 1.00 0.00 H new ATOM 0 HB2 SER B 28 -4.499 12.781 -3.063 1.00 0.00 H new ATOM 0 HB3 SER B 28 -5.659 12.186 -1.891 1.00 0.00 H new ATOM 0 HG SER B 28 -5.650 14.501 -2.019 1.00 0.00 H new ATOM 839 N LYS B 29 -4.859 11.145 0.631 1.00 0.00 N ATOM 840 CA LYS B 29 -5.239 11.010 2.035 1.00 0.00 C ATOM 841 C LYS B 29 -4.069 10.495 2.869 1.00 0.00 C ATOM 842 O LYS B 29 -3.790 11.013 3.953 1.00 0.00 O ATOM 843 CB LYS B 29 -6.443 10.078 2.183 1.00 0.00 C ATOM 844 CG LYS B 29 -7.737 10.664 1.643 1.00 0.00 C ATOM 845 CD LYS B 29 -8.911 9.728 1.874 1.00 0.00 C ATOM 846 CE LYS B 29 -10.230 10.381 1.495 1.00 0.00 C ATOM 847 NZ LYS B 29 -10.265 10.778 0.062 1.00 0.00 N ATOM 0 H LYS B 29 -5.366 10.532 -0.007 1.00 0.00 H new ATOM 0 HA LYS B 29 -5.516 11.998 2.403 1.00 0.00 H new ATOM 0 HB2 LYS B 29 -6.233 9.143 1.664 1.00 0.00 H new ATOM 0 HB3 LYS B 29 -6.576 9.835 3.237 1.00 0.00 H new ATOM 0 HG2 LYS B 29 -7.933 11.621 2.126 1.00 0.00 H new ATOM 0 HG3 LYS B 29 -7.631 10.860 0.576 1.00 0.00 H new ATOM 0 HD2 LYS B 29 -8.773 8.819 1.289 1.00 0.00 H new ATOM 0 HD3 LYS B 29 -8.939 9.431 2.922 1.00 0.00 H new ATOM 0 HE2 LYS B 29 -11.048 9.690 1.700 1.00 0.00 H new ATOM 0 HE3 LYS B 29 -10.391 11.260 2.119 1.00 0.00 H new ATOM 0 HZ1 LYS B 29 -11.253 10.832 -0.259 1.00 0.00 H new ATOM 0 HZ2 LYS B 29 -9.813 11.708 -0.052 1.00 0.00 H new ATOM 0 HZ3 LYS B 29 -9.754 10.073 -0.506 1.00 0.00 H new ATOM 861 N ILE B 30 -3.381 9.478 2.355 1.00 0.00 N ATOM 862 CA ILE B 30 -2.237 8.905 3.053 1.00 0.00 C ATOM 863 C ILE B 30 -1.180 9.973 3.305 1.00 0.00 C ATOM 864 O ILE B 30 -0.605 10.048 4.389 1.00 0.00 O ATOM 865 CB ILE B 30 -1.607 7.737 2.262 1.00 0.00 C ATOM 866 CG1 ILE B 30 -2.632 6.618 2.065 1.00 0.00 C ATOM 867 CG2 ILE B 30 -0.378 7.213 2.991 1.00 0.00 C ATOM 868 CD1 ILE B 30 -2.116 5.452 1.247 1.00 0.00 C ATOM 0 H ILE B 30 -3.596 9.036 1.461 1.00 0.00 H new ATOM 0 HA ILE B 30 -2.602 8.516 4.004 1.00 0.00 H new ATOM 0 HB ILE B 30 -1.300 8.100 1.281 1.00 0.00 H new ATOM 0 HG12 ILE B 30 -2.949 6.252 3.042 1.00 0.00 H new ATOM 0 HG13 ILE B 30 -3.515 7.029 1.577 1.00 0.00 H new ATOM 0 HG21 ILE B 30 0.058 6.390 2.424 1.00 0.00 H new ATOM 0 HG22 ILE B 30 0.355 8.014 3.090 1.00 0.00 H new ATOM 0 HG23 ILE B 30 -0.665 6.860 3.981 1.00 0.00 H new ATOM 0 HD11 ILE B 30 -2.899 4.700 1.151 1.00 0.00 H new ATOM 0 HD12 ILE B 30 -1.826 5.802 0.256 1.00 0.00 H new ATOM 0 HD13 ILE B 30 -1.251 5.013 1.744 1.00 0.00 H new ATOM 880 N GLN B 31 -0.942 10.806 2.299 1.00 0.00 N ATOM 881 CA GLN B 31 0.033 11.882 2.409 1.00 0.00 C ATOM 882 C GLN B 31 -0.432 12.913 3.430 1.00 0.00 C ATOM 883 O GLN B 31 0.375 13.510 4.139 1.00 0.00 O ATOM 884 CB GLN B 31 0.243 12.551 1.049 1.00 0.00 C ATOM 885 CG GLN B 31 1.302 13.643 1.063 1.00 0.00 C ATOM 886 CD GLN B 31 1.453 14.343 -0.278 1.00 0.00 C ATOM 887 OE1 GLN B 31 2.298 15.224 -0.434 1.00 0.00 O ATOM 888 NE2 GLN B 31 0.634 13.961 -1.254 1.00 0.00 N ATOM 0 H GLN B 31 -1.413 10.756 1.396 1.00 0.00 H new ATOM 0 HA GLN B 31 0.980 11.458 2.742 1.00 0.00 H new ATOM 0 HB2 GLN B 31 0.526 11.792 0.320 1.00 0.00 H new ATOM 0 HB3 GLN B 31 -0.702 12.978 0.714 1.00 0.00 H new ATOM 0 HG2 GLN B 31 1.046 14.380 1.824 1.00 0.00 H new ATOM 0 HG3 GLN B 31 2.260 13.209 1.350 1.00 0.00 H new ATOM 0 HE21 GLN B 31 -0.053 13.227 -1.085 1.00 0.00 H new ATOM 0 HE22 GLN B 31 0.693 14.402 -2.172 1.00 0.00 H new ATOM 897 N ASP B 32 -1.744 13.118 3.491 1.00 0.00 N ATOM 898 CA ASP B 32 -2.328 14.080 4.417 1.00 0.00 C ATOM 899 C ASP B 32 -2.009 13.716 5.866 1.00 0.00 C ATOM 900 O ASP B 32 -1.551 14.560 6.636 1.00 0.00 O ATOM 901 CB ASP B 32 -3.844 14.152 4.216 1.00 0.00 C ATOM 902 CG ASP B 32 -4.504 15.186 5.110 1.00 0.00 C ATOM 903 OD1 ASP B 32 -4.446 15.029 6.347 1.00 0.00 O ATOM 904 OD2 ASP B 32 -5.081 16.155 4.571 1.00 0.00 O ATOM 0 H ASP B 32 -2.424 12.629 2.908 1.00 0.00 H new ATOM 0 HA ASP B 32 -1.891 15.057 4.208 1.00 0.00 H new ATOM 0 HB2 ASP B 32 -4.058 14.389 3.174 1.00 0.00 H new ATOM 0 HB3 ASP B 32 -4.280 13.173 4.416 1.00 0.00 H new ATOM 909 N LYS B 33 -2.261 12.461 6.238 1.00 0.00 N ATOM 910 CA LYS B 33 -2.001 12.009 7.605 1.00 0.00 C ATOM 911 C LYS B 33 -0.540 11.611 7.807 1.00 0.00 C ATOM 912 O LYS B 33 0.149 12.160 8.667 1.00 0.00 O ATOM 913 CB LYS B 33 -2.900 10.822 7.973 1.00 0.00 C ATOM 914 CG LYS B 33 -4.378 11.166 8.095 1.00 0.00 C ATOM 915 CD LYS B 33 -5.022 11.382 6.737 1.00 0.00 C ATOM 916 CE LYS B 33 -6.500 11.713 6.868 1.00 0.00 C ATOM 917 NZ LYS B 33 -6.724 12.951 7.664 1.00 0.00 N ATOM 0 H LYS B 33 -2.641 11.745 5.619 1.00 0.00 H new ATOM 0 HA LYS B 33 -2.225 12.852 8.258 1.00 0.00 H new ATOM 0 HB2 LYS B 33 -2.782 10.045 7.218 1.00 0.00 H new ATOM 0 HB3 LYS B 33 -2.558 10.402 8.919 1.00 0.00 H new ATOM 0 HG2 LYS B 33 -4.896 10.363 8.619 1.00 0.00 H new ATOM 0 HG3 LYS B 33 -4.493 12.066 8.699 1.00 0.00 H new ATOM 0 HD2 LYS B 33 -4.511 12.192 6.216 1.00 0.00 H new ATOM 0 HD3 LYS B 33 -4.901 10.485 6.129 1.00 0.00 H new ATOM 0 HE2 LYS B 33 -6.934 11.836 5.876 1.00 0.00 H new ATOM 0 HE3 LYS B 33 -7.018 10.879 7.341 1.00 0.00 H new ATOM 0 HZ1 LYS B 33 -7.704 13.274 7.535 1.00 0.00 H new ATOM 0 HZ2 LYS B 33 -6.555 12.752 8.671 1.00 0.00 H new ATOM 0 HZ3 LYS B 33 -6.070 13.693 7.343 1.00 0.00 H new ATOM 931 N GLU B 34 -0.083 10.637 7.026 1.00 0.00 N ATOM 932 CA GLU B 34 1.288 10.143 7.132 1.00 0.00 C ATOM 933 C GLU B 34 2.312 11.233 6.833 1.00 0.00 C ATOM 934 O GLU B 34 3.366 11.292 7.466 1.00 0.00 O ATOM 935 CB GLU B 34 1.501 8.957 6.188 1.00 0.00 C ATOM 936 CG GLU B 34 0.539 7.802 6.425 1.00 0.00 C ATOM 937 CD GLU B 34 0.675 7.192 7.808 1.00 0.00 C ATOM 938 OE1 GLU B 34 0.432 7.908 8.803 1.00 0.00 O ATOM 939 OE2 GLU B 34 1.024 5.997 7.897 1.00 0.00 O ATOM 0 H GLU B 34 -0.643 10.173 6.311 1.00 0.00 H new ATOM 0 HA GLU B 34 1.437 9.820 8.162 1.00 0.00 H new ATOM 0 HB2 GLU B 34 1.395 9.300 5.159 1.00 0.00 H new ATOM 0 HB3 GLU B 34 2.523 8.595 6.300 1.00 0.00 H new ATOM 0 HG2 GLU B 34 -0.483 8.154 6.288 1.00 0.00 H new ATOM 0 HG3 GLU B 34 0.714 7.031 5.675 1.00 0.00 H new ATOM 946 N GLY B 35 2.009 12.083 5.859 1.00 0.00 N ATOM 947 CA GLY B 35 2.933 13.142 5.495 1.00 0.00 C ATOM 948 C GLY B 35 4.095 12.621 4.672 1.00 0.00 C ATOM 949 O GLY B 35 5.254 12.921 4.958 1.00 0.00 O ATOM 0 H GLY B 35 1.145 12.059 5.317 1.00 0.00 H new ATOM 0 HA2 GLY B 35 2.402 13.908 4.930 1.00 0.00 H new ATOM 0 HA3 GLY B 35 3.313 13.619 6.399 1.00 0.00 H new ATOM 953 N ILE B 36 3.777 11.832 3.651 1.00 0.00 N ATOM 954 CA ILE B 36 4.792 11.253 2.777 1.00 0.00 C ATOM 955 C ILE B 36 4.388 11.397 1.310 1.00 0.00 C ATOM 956 O ILE B 36 3.244 11.117 0.949 1.00 0.00 O ATOM 957 CB ILE B 36 5.010 9.757 3.096 1.00 0.00 C ATOM 958 CG1 ILE B 36 5.434 9.580 4.556 1.00 0.00 C ATOM 959 CG2 ILE B 36 6.050 9.155 2.160 1.00 0.00 C ATOM 960 CD1 ILE B 36 5.576 8.133 4.977 1.00 0.00 C ATOM 0 H ILE B 36 2.820 11.578 3.407 1.00 0.00 H new ATOM 0 HA ILE B 36 5.721 11.795 2.952 1.00 0.00 H new ATOM 0 HB ILE B 36 4.068 9.231 2.943 1.00 0.00 H new ATOM 0 HG12 ILE B 36 6.384 10.090 4.714 1.00 0.00 H new ATOM 0 HG13 ILE B 36 4.701 10.066 5.200 1.00 0.00 H new ATOM 0 HG21 ILE B 36 6.189 8.101 2.401 1.00 0.00 H new ATOM 0 HG22 ILE B 36 5.710 9.250 1.129 1.00 0.00 H new ATOM 0 HG23 ILE B 36 6.996 9.683 2.280 1.00 0.00 H new ATOM 0 HD11 ILE B 36 5.879 8.086 6.023 1.00 0.00 H new ATOM 0 HD12 ILE B 36 4.621 7.622 4.852 1.00 0.00 H new ATOM 0 HD13 ILE B 36 6.331 7.647 4.359 1.00 0.00 H new ATOM 972 N PRO B 37 5.319 11.839 0.442 1.00 0.00 N ATOM 973 CA PRO B 37 5.040 12.019 -0.987 1.00 0.00 C ATOM 974 C PRO B 37 4.460 10.760 -1.630 1.00 0.00 C ATOM 975 O PRO B 37 4.913 9.649 -1.354 1.00 0.00 O ATOM 976 CB PRO B 37 6.414 12.337 -1.582 1.00 0.00 C ATOM 977 CG PRO B 37 7.191 12.914 -0.451 1.00 0.00 C ATOM 978 CD PRO B 37 6.709 12.202 0.782 1.00 0.00 C ATOM 0 HA PRO B 37 4.295 12.796 -1.160 1.00 0.00 H new ATOM 0 HB2 PRO B 37 6.893 11.440 -1.975 1.00 0.00 H new ATOM 0 HB3 PRO B 37 6.334 13.043 -2.408 1.00 0.00 H new ATOM 0 HG2 PRO B 37 8.261 12.765 -0.595 1.00 0.00 H new ATOM 0 HG3 PRO B 37 7.027 13.989 -0.372 1.00 0.00 H new ATOM 0 HD2 PRO B 37 7.313 11.321 1.000 1.00 0.00 H new ATOM 0 HD3 PRO B 37 6.754 12.845 1.661 1.00 0.00 H new ATOM 986 N PRO B 38 3.442 10.918 -2.498 1.00 0.00 N ATOM 987 CA PRO B 38 2.798 9.787 -3.177 1.00 0.00 C ATOM 988 C PRO B 38 3.795 8.923 -3.942 1.00 0.00 C ATOM 989 O PRO B 38 3.751 7.696 -3.867 1.00 0.00 O ATOM 990 CB PRO B 38 1.823 10.457 -4.150 1.00 0.00 C ATOM 991 CG PRO B 38 1.565 11.803 -3.569 1.00 0.00 C ATOM 992 CD PRO B 38 2.838 12.208 -2.882 1.00 0.00 C ATOM 0 HA PRO B 38 2.318 9.112 -2.468 1.00 0.00 H new ATOM 0 HB2 PRO B 38 2.252 10.534 -5.149 1.00 0.00 H new ATOM 0 HB3 PRO B 38 0.901 9.883 -4.243 1.00 0.00 H new ATOM 0 HG2 PRO B 38 1.296 12.519 -4.346 1.00 0.00 H new ATOM 0 HG3 PRO B 38 0.734 11.771 -2.864 1.00 0.00 H new ATOM 0 HD2 PRO B 38 3.490 12.776 -3.546 1.00 0.00 H new ATOM 0 HD3 PRO B 38 2.644 12.836 -2.012 1.00 0.00 H new ATOM 1000 N ASP B 39 4.692 9.573 -4.676 1.00 0.00 N ATOM 1001 CA ASP B 39 5.702 8.866 -5.456 1.00 0.00 C ATOM 1002 C ASP B 39 6.667 8.113 -4.544 1.00 0.00 C ATOM 1003 O ASP B 39 7.080 6.994 -4.849 1.00 0.00 O ATOM 1004 CB ASP B 39 6.478 9.848 -6.336 1.00 0.00 C ATOM 1005 CG ASP B 39 5.580 10.590 -7.307 1.00 0.00 C ATOM 1006 OD1 ASP B 39 4.661 11.298 -6.844 1.00 0.00 O ATOM 1007 OD2 ASP B 39 5.797 10.463 -8.531 1.00 0.00 O ATOM 0 H ASP B 39 4.740 10.589 -4.747 1.00 0.00 H new ATOM 0 HA ASP B 39 5.191 8.143 -6.092 1.00 0.00 H new ATOM 0 HB2 ASP B 39 6.996 10.568 -5.702 1.00 0.00 H new ATOM 0 HB3 ASP B 39 7.242 9.306 -6.894 1.00 0.00 H new ATOM 1012 N GLN B 40 7.025 8.740 -3.428 1.00 0.00 N ATOM 1013 CA GLN B 40 7.946 8.140 -2.468 1.00 0.00 C ATOM 1014 C GLN B 40 7.407 6.811 -1.943 1.00 0.00 C ATOM 1015 O GLN B 40 8.098 5.793 -1.972 1.00 0.00 O ATOM 1016 CB GLN B 40 8.180 9.102 -1.300 1.00 0.00 C ATOM 1017 CG GLN B 40 9.204 8.608 -0.290 1.00 0.00 C ATOM 1018 CD GLN B 40 10.616 8.591 -0.844 1.00 0.00 C ATOM 1019 OE1 GLN B 40 10.897 7.935 -1.845 1.00 0.00 O ATOM 1020 NE2 GLN B 40 11.516 9.317 -0.189 1.00 0.00 N ATOM 0 H GLN B 40 6.690 9.667 -3.165 1.00 0.00 H new ATOM 0 HA GLN B 40 8.890 7.948 -2.978 1.00 0.00 H new ATOM 0 HB2 GLN B 40 8.508 10.064 -1.694 1.00 0.00 H new ATOM 0 HB3 GLN B 40 7.233 9.274 -0.788 1.00 0.00 H new ATOM 0 HG2 GLN B 40 9.173 9.246 0.593 1.00 0.00 H new ATOM 0 HG3 GLN B 40 8.933 7.603 0.033 1.00 0.00 H new ATOM 0 HE21 GLN B 40 11.240 9.847 0.638 1.00 0.00 H new ATOM 0 HE22 GLN B 40 12.483 9.344 -0.513 1.00 0.00 H new ATOM 1029 N GLN B 41 6.170 6.832 -1.459 1.00 0.00 N ATOM 1030 CA GLN B 41 5.534 5.634 -0.920 1.00 0.00 C ATOM 1031 C GLN B 41 4.918 4.779 -2.024 1.00 0.00 C ATOM 1032 O GLN B 41 4.428 5.300 -3.025 1.00 0.00 O ATOM 1033 CB GLN B 41 4.453 6.020 0.091 1.00 0.00 C ATOM 1034 CG GLN B 41 3.359 6.898 -0.496 1.00 0.00 C ATOM 1035 CD GLN B 41 2.234 7.159 0.486 1.00 0.00 C ATOM 1036 OE1 GLN B 41 1.590 6.228 0.967 1.00 0.00 O ATOM 1037 NE2 GLN B 41 1.993 8.430 0.786 1.00 0.00 N ATOM 0 H GLN B 41 5.586 7.668 -1.429 1.00 0.00 H new ATOM 0 HA GLN B 41 6.307 5.046 -0.425 1.00 0.00 H new ATOM 0 HB2 GLN B 41 4.003 5.113 0.494 1.00 0.00 H new ATOM 0 HB3 GLN B 41 4.918 6.543 0.927 1.00 0.00 H new ATOM 0 HG2 GLN B 41 3.790 7.848 -0.810 1.00 0.00 H new ATOM 0 HG3 GLN B 41 2.954 6.421 -1.388 1.00 0.00 H new ATOM 0 HE21 GLN B 41 2.554 9.169 0.362 1.00 0.00 H new ATOM 0 HE22 GLN B 41 1.247 8.667 1.440 1.00 0.00 H new ATOM 1046 N ARG B 42 4.929 3.464 -1.823 1.00 0.00 N ATOM 1047 CA ARG B 42 4.351 2.536 -2.791 1.00 0.00 C ATOM 1048 C ARG B 42 3.470 1.508 -2.089 1.00 0.00 C ATOM 1049 O ARG B 42 3.957 0.673 -1.326 1.00 0.00 O ATOM 1050 CB ARG B 42 5.449 1.827 -3.586 1.00 0.00 C ATOM 1051 CG ARG B 42 6.162 2.728 -4.582 1.00 0.00 C ATOM 1052 CD ARG B 42 7.197 1.957 -5.387 1.00 0.00 C ATOM 1053 NE ARG B 42 7.836 2.786 -6.408 1.00 0.00 N ATOM 1054 CZ ARG B 42 8.582 3.854 -6.137 1.00 0.00 C ATOM 1055 NH1 ARG B 42 8.788 4.224 -4.881 1.00 0.00 N ATOM 1056 NH2 ARG B 42 9.126 4.550 -7.126 1.00 0.00 N ATOM 0 H ARG B 42 5.331 3.017 -0.999 1.00 0.00 H new ATOM 0 HA ARG B 42 3.736 3.112 -3.483 1.00 0.00 H new ATOM 0 HB2 ARG B 42 6.182 1.418 -2.891 1.00 0.00 H new ATOM 0 HB3 ARG B 42 5.011 0.984 -4.121 1.00 0.00 H new ATOM 0 HG2 ARG B 42 5.433 3.175 -5.258 1.00 0.00 H new ATOM 0 HG3 ARG B 42 6.648 3.547 -4.051 1.00 0.00 H new ATOM 0 HD2 ARG B 42 7.958 1.563 -4.713 1.00 0.00 H new ATOM 0 HD3 ARG B 42 6.719 1.101 -5.864 1.00 0.00 H new ATOM 0 HE ARG B 42 7.702 2.530 -7.386 1.00 0.00 H new ATOM 0 HH11 ARG B 42 8.374 3.689 -4.117 1.00 0.00 H new ATOM 0 HH12 ARG B 42 9.361 5.043 -4.678 1.00 0.00 H new ATOM 0 HH21 ARG B 42 8.972 4.267 -8.094 1.00 0.00 H new ATOM 0 HH22 ARG B 42 9.698 5.369 -6.919 1.00 0.00 H new ATOM 1070 N LEU B 43 2.169 1.580 -2.352 1.00 0.00 N ATOM 1071 CA LEU B 43 1.207 0.664 -1.746 1.00 0.00 C ATOM 1072 C LEU B 43 1.181 -0.683 -2.462 1.00 0.00 C ATOM 1073 O LEU B 43 1.273 -0.755 -3.690 1.00 0.00 O ATOM 1074 CB LEU B 43 -0.193 1.288 -1.736 1.00 0.00 C ATOM 1075 CG LEU B 43 -0.460 2.291 -0.604 1.00 0.00 C ATOM 1076 CD1 LEU B 43 -0.407 1.596 0.749 1.00 0.00 C ATOM 1077 CD2 LEU B 43 0.538 3.440 -0.648 1.00 0.00 C ATOM 0 H LEU B 43 1.755 2.266 -2.983 1.00 0.00 H new ATOM 0 HA LEU B 43 1.525 0.487 -0.719 1.00 0.00 H new ATOM 0 HB2 LEU B 43 -0.355 1.791 -2.689 1.00 0.00 H new ATOM 0 HB3 LEU B 43 -0.929 0.487 -1.669 1.00 0.00 H new ATOM 0 HG LEU B 43 -1.460 2.702 -0.746 1.00 0.00 H new ATOM 0 HD11 LEU B 43 -0.598 2.322 1.539 1.00 0.00 H new ATOM 0 HD12 LEU B 43 -1.164 0.812 0.785 1.00 0.00 H new ATOM 0 HD13 LEU B 43 0.579 1.155 0.893 1.00 0.00 H new ATOM 0 HD21 LEU B 43 0.327 4.136 0.164 1.00 0.00 H new ATOM 0 HD22 LEU B 43 1.549 3.048 -0.537 1.00 0.00 H new ATOM 0 HD23 LEU B 43 0.453 3.959 -1.603 1.00 0.00 H new ATOM 1089 N ILE B 44 1.046 -1.747 -1.676 1.00 0.00 N ATOM 1090 CA ILE B 44 0.998 -3.103 -2.204 1.00 0.00 C ATOM 1091 C ILE B 44 -0.173 -3.872 -1.601 1.00 0.00 C ATOM 1092 O ILE B 44 -0.447 -3.771 -0.402 1.00 0.00 O ATOM 1093 CB ILE B 44 2.306 -3.869 -1.917 1.00 0.00 C ATOM 1094 CG1 ILE B 44 3.495 -3.143 -2.552 1.00 0.00 C ATOM 1095 CG2 ILE B 44 2.209 -5.298 -2.434 1.00 0.00 C ATOM 1096 CD1 ILE B 44 4.832 -3.796 -2.268 1.00 0.00 C ATOM 0 H ILE B 44 0.967 -1.692 -0.661 1.00 0.00 H new ATOM 0 HA ILE B 44 0.869 -3.024 -3.283 1.00 0.00 H new ATOM 0 HB ILE B 44 2.461 -3.906 -0.839 1.00 0.00 H new ATOM 0 HG12 ILE B 44 3.346 -3.096 -3.631 1.00 0.00 H new ATOM 0 HG13 ILE B 44 3.518 -2.116 -2.188 1.00 0.00 H new ATOM 0 HG21 ILE B 44 3.140 -5.825 -2.224 1.00 0.00 H new ATOM 0 HG22 ILE B 44 1.383 -5.809 -1.939 1.00 0.00 H new ATOM 0 HG23 ILE B 44 2.035 -5.285 -3.510 1.00 0.00 H new ATOM 0 HD11 ILE B 44 5.625 -3.225 -2.750 1.00 0.00 H new ATOM 0 HD12 ILE B 44 5.004 -3.819 -1.192 1.00 0.00 H new ATOM 0 HD13 ILE B 44 4.830 -4.814 -2.657 1.00 0.00 H new ATOM 1108 N PHE B 45 -0.858 -4.637 -2.443 1.00 0.00 N ATOM 1109 CA PHE B 45 -2.004 -5.428 -2.011 1.00 0.00 C ATOM 1110 C PHE B 45 -2.164 -6.650 -2.907 1.00 0.00 C ATOM 1111 O PHE B 45 -1.958 -6.570 -4.120 1.00 0.00 O ATOM 1112 CB PHE B 45 -3.280 -4.579 -2.040 1.00 0.00 C ATOM 1113 CG PHE B 45 -4.495 -5.284 -1.502 1.00 0.00 C ATOM 1114 CD1 PHE B 45 -4.445 -5.962 -0.293 1.00 0.00 C ATOM 1115 CD2 PHE B 45 -5.691 -5.262 -2.204 1.00 0.00 C ATOM 1116 CE1 PHE B 45 -5.562 -6.606 0.204 1.00 0.00 C ATOM 1117 CE2 PHE B 45 -6.811 -5.904 -1.711 1.00 0.00 C ATOM 1118 CZ PHE B 45 -6.747 -6.577 -0.506 1.00 0.00 C ATOM 0 H PHE B 45 -0.638 -4.726 -3.435 1.00 0.00 H new ATOM 0 HA PHE B 45 -1.832 -5.762 -0.988 1.00 0.00 H new ATOM 0 HB2 PHE B 45 -3.113 -3.671 -1.461 1.00 0.00 H new ATOM 0 HB3 PHE B 45 -3.476 -4.271 -3.067 1.00 0.00 H new ATOM 0 HD1 PHE B 45 -3.522 -5.987 0.267 1.00 0.00 H new ATOM 0 HD2 PHE B 45 -5.748 -4.737 -3.146 1.00 0.00 H new ATOM 0 HE1 PHE B 45 -5.509 -7.131 1.146 1.00 0.00 H new ATOM 0 HE2 PHE B 45 -7.736 -5.880 -2.268 1.00 0.00 H new ATOM 0 HZ PHE B 45 -7.622 -7.079 -0.120 1.00 0.00 H new ATOM 1128 N ALA B 46 -2.511 -7.783 -2.303 1.00 0.00 N ATOM 1129 CA ALA B 46 -2.678 -9.025 -3.045 1.00 0.00 C ATOM 1130 C ALA B 46 -1.430 -9.324 -3.867 1.00 0.00 C ATOM 1131 O ALA B 46 -1.511 -9.847 -4.978 1.00 0.00 O ATOM 1132 CB ALA B 46 -3.906 -8.950 -3.942 1.00 0.00 C ATOM 0 H ALA B 46 -2.682 -7.865 -1.301 1.00 0.00 H new ATOM 0 HA ALA B 46 -2.824 -9.837 -2.333 1.00 0.00 H new ATOM 0 HB1 ALA B 46 -4.015 -9.887 -4.489 1.00 0.00 H new ATOM 0 HB2 ALA B 46 -4.793 -8.781 -3.331 1.00 0.00 H new ATOM 0 HB3 ALA B 46 -3.790 -8.129 -4.649 1.00 0.00 H new ATOM 1138 N GLY B 47 -0.275 -8.980 -3.304 1.00 0.00 N ATOM 1139 CA GLY B 47 0.986 -9.206 -3.984 1.00 0.00 C ATOM 1140 C GLY B 47 1.073 -8.475 -5.309 1.00 0.00 C ATOM 1141 O GLY B 47 1.615 -9.004 -6.280 1.00 0.00 O ATOM 0 H GLY B 47 -0.191 -8.547 -2.384 1.00 0.00 H new ATOM 0 HA2 GLY B 47 1.804 -8.883 -3.341 1.00 0.00 H new ATOM 0 HA3 GLY B 47 1.117 -10.275 -4.154 1.00 0.00 H new ATOM 1145 N LYS B 48 0.540 -7.255 -5.351 1.00 0.00 N ATOM 1146 CA LYS B 48 0.562 -6.453 -6.572 1.00 0.00 C ATOM 1147 C LYS B 48 0.567 -4.961 -6.252 1.00 0.00 C ATOM 1148 O LYS B 48 -0.205 -4.492 -5.415 1.00 0.00 O ATOM 1149 CB LYS B 48 -0.649 -6.781 -7.451 1.00 0.00 C ATOM 1150 CG LYS B 48 -0.650 -8.199 -7.999 1.00 0.00 C ATOM 1151 CD LYS B 48 -1.890 -8.472 -8.834 1.00 0.00 C ATOM 1152 CE LYS B 48 -1.884 -9.884 -9.395 1.00 0.00 C ATOM 1153 NZ LYS B 48 -1.862 -10.910 -8.317 1.00 0.00 N ATOM 0 H LYS B 48 0.089 -6.802 -4.556 1.00 0.00 H new ATOM 0 HA LYS B 48 1.478 -6.698 -7.110 1.00 0.00 H new ATOM 0 HB2 LYS B 48 -1.559 -6.626 -6.871 1.00 0.00 H new ATOM 0 HB3 LYS B 48 -0.680 -6.080 -8.285 1.00 0.00 H new ATOM 0 HG2 LYS B 48 0.241 -8.356 -8.607 1.00 0.00 H new ATOM 0 HG3 LYS B 48 -0.602 -8.909 -7.174 1.00 0.00 H new ATOM 0 HD2 LYS B 48 -2.781 -8.326 -8.223 1.00 0.00 H new ATOM 0 HD3 LYS B 48 -1.944 -7.754 -9.653 1.00 0.00 H new ATOM 0 HE2 LYS B 48 -2.766 -10.031 -10.018 1.00 0.00 H new ATOM 0 HE3 LYS B 48 -1.014 -10.015 -10.039 1.00 0.00 H new ATOM 0 HZ1 LYS B 48 -2.079 -11.843 -8.721 1.00 0.00 H new ATOM 0 HZ2 LYS B 48 -0.919 -10.933 -7.879 1.00 0.00 H new ATOM 0 HZ3 LYS B 48 -2.573 -10.671 -7.596 1.00 0.00 H new ATOM 1167 N GLN B 49 1.438 -4.222 -6.933 1.00 0.00 N ATOM 1168 CA GLN B 49 1.546 -2.780 -6.737 1.00 0.00 C ATOM 1169 C GLN B 49 0.277 -2.073 -7.204 1.00 0.00 C ATOM 1170 O GLN B 49 -0.214 -2.328 -8.304 1.00 0.00 O ATOM 1171 CB GLN B 49 2.753 -2.231 -7.504 1.00 0.00 C ATOM 1172 CG GLN B 49 4.090 -2.752 -7.000 1.00 0.00 C ATOM 1173 CD GLN B 49 4.464 -2.218 -5.627 1.00 0.00 C ATOM 1174 OE1 GLN B 49 5.485 -2.605 -5.061 1.00 0.00 O ATOM 1175 NE2 GLN B 49 3.646 -1.321 -5.083 1.00 0.00 N ATOM 0 H GLN B 49 2.082 -4.600 -7.628 1.00 0.00 H new ATOM 0 HA GLN B 49 1.679 -2.592 -5.672 1.00 0.00 H new ATOM 0 HB2 GLN B 49 2.648 -2.487 -8.558 1.00 0.00 H new ATOM 0 HB3 GLN B 49 2.749 -1.143 -7.438 1.00 0.00 H new ATOM 0 HG2 GLN B 49 4.057 -3.841 -6.962 1.00 0.00 H new ATOM 0 HG3 GLN B 49 4.869 -2.481 -7.712 1.00 0.00 H new ATOM 0 HE21 GLN B 49 2.808 -1.025 -5.584 1.00 0.00 H new ATOM 0 HE22 GLN B 49 3.857 -0.929 -4.165 1.00 0.00 H new ATOM 1184 N LEU B 50 -0.249 -1.181 -6.368 1.00 0.00 N ATOM 1185 CA LEU B 50 -1.458 -0.439 -6.713 1.00 0.00 C ATOM 1186 C LEU B 50 -1.178 0.571 -7.823 1.00 0.00 C ATOM 1187 O LEU B 50 -0.310 1.434 -7.684 1.00 0.00 O ATOM 1188 CB LEU B 50 -2.022 0.286 -5.486 1.00 0.00 C ATOM 1189 CG LEU B 50 -2.710 -0.602 -4.441 1.00 0.00 C ATOM 1190 CD1 LEU B 50 -3.865 -1.369 -5.065 1.00 0.00 C ATOM 1191 CD2 LEU B 50 -1.718 -1.559 -3.801 1.00 0.00 C ATOM 0 H LEU B 50 0.140 -0.956 -5.453 1.00 0.00 H new ATOM 0 HA LEU B 50 -2.196 -1.158 -7.068 1.00 0.00 H new ATOM 0 HB2 LEU B 50 -1.208 0.823 -4.999 1.00 0.00 H new ATOM 0 HB3 LEU B 50 -2.738 1.034 -5.827 1.00 0.00 H new ATOM 0 HG LEU B 50 -3.108 0.045 -3.660 1.00 0.00 H new ATOM 0 HD11 LEU B 50 -4.339 -1.993 -4.307 1.00 0.00 H new ATOM 0 HD12 LEU B 50 -4.595 -0.665 -5.465 1.00 0.00 H new ATOM 0 HD13 LEU B 50 -3.490 -2.000 -5.871 1.00 0.00 H new ATOM 0 HD21 LEU B 50 -2.232 -2.177 -3.064 1.00 0.00 H new ATOM 0 HD22 LEU B 50 -1.281 -2.198 -4.569 1.00 0.00 H new ATOM 0 HD23 LEU B 50 -0.928 -0.990 -3.310 1.00 0.00 H new ATOM 1203 N GLU B 51 -1.924 0.463 -8.919 1.00 0.00 N ATOM 1204 CA GLU B 51 -1.762 1.373 -10.048 1.00 0.00 C ATOM 1205 C GLU B 51 -2.361 2.740 -9.726 1.00 0.00 C ATOM 1206 O GLU B 51 -3.474 2.829 -9.216 1.00 0.00 O ATOM 1207 CB GLU B 51 -2.423 0.792 -11.300 1.00 0.00 C ATOM 1208 CG GLU B 51 -1.843 -0.546 -11.730 1.00 0.00 C ATOM 1209 CD GLU B 51 -2.524 -1.106 -12.964 1.00 0.00 C ATOM 1210 OE1 GLU B 51 -2.487 -0.436 -14.017 1.00 0.00 O ATOM 1211 OE2 GLU B 51 -3.094 -2.213 -12.877 1.00 0.00 O ATOM 0 H GLU B 51 -2.646 -0.245 -9.049 1.00 0.00 H new ATOM 0 HA GLU B 51 -0.696 1.496 -10.238 1.00 0.00 H new ATOM 0 HB2 GLU B 51 -3.491 0.673 -11.115 1.00 0.00 H new ATOM 0 HB3 GLU B 51 -2.319 1.504 -12.119 1.00 0.00 H new ATOM 0 HG2 GLU B 51 -0.778 -0.429 -11.929 1.00 0.00 H new ATOM 0 HG3 GLU B 51 -1.938 -1.259 -10.911 1.00 0.00 H new ATOM 1218 N ASP B 52 -1.613 3.798 -10.022 1.00 0.00 N ATOM 1219 CA ASP B 52 -2.066 5.161 -9.759 1.00 0.00 C ATOM 1220 C ASP B 52 -3.108 5.611 -10.785 1.00 0.00 C ATOM 1221 O ASP B 52 -2.972 6.673 -11.393 1.00 0.00 O ATOM 1222 CB ASP B 52 -0.873 6.120 -9.766 1.00 0.00 C ATOM 1223 CG ASP B 52 0.157 5.776 -8.706 1.00 0.00 C ATOM 1224 OD1 ASP B 52 -0.054 4.789 -7.969 1.00 0.00 O ATOM 1225 OD2 ASP B 52 1.174 6.494 -8.613 1.00 0.00 O ATOM 0 H ASP B 52 -0.687 3.738 -10.446 1.00 0.00 H new ATOM 0 HA ASP B 52 -2.536 5.176 -8.776 1.00 0.00 H new ATOM 0 HB2 ASP B 52 -0.400 6.099 -10.748 1.00 0.00 H new ATOM 0 HB3 ASP B 52 -1.228 7.138 -9.605 1.00 0.00 H new ATOM 1230 N GLY B 53 -4.145 4.800 -10.971 1.00 0.00 N ATOM 1231 CA GLY B 53 -5.191 5.134 -11.920 1.00 0.00 C ATOM 1232 C GLY B 53 -6.230 4.035 -12.042 1.00 0.00 C ATOM 1233 O GLY B 53 -6.640 3.683 -13.147 1.00 0.00 O ATOM 0 H GLY B 53 -4.279 3.916 -10.480 1.00 0.00 H new ATOM 0 HA2 GLY B 53 -5.678 6.059 -11.610 1.00 0.00 H new ATOM 0 HA3 GLY B 53 -4.746 5.320 -12.897 1.00 0.00 H new ATOM 1237 N ARG B 54 -6.652 3.491 -10.902 1.00 0.00 N ATOM 1238 CA ARG B 54 -7.642 2.422 -10.883 1.00 0.00 C ATOM 1239 C ARG B 54 -8.570 2.562 -9.679 1.00 0.00 C ATOM 1240 O ARG B 54 -8.116 2.763 -8.552 1.00 0.00 O ATOM 1241 CB ARG B 54 -6.945 1.062 -10.836 1.00 0.00 C ATOM 1242 CG ARG B 54 -6.040 0.787 -12.028 1.00 0.00 C ATOM 1243 CD ARG B 54 -6.831 0.676 -13.322 1.00 0.00 C ATOM 1244 NE ARG B 54 -7.802 -0.414 -13.277 1.00 0.00 N ATOM 1245 CZ ARG B 54 -8.613 -0.721 -14.284 1.00 0.00 C ATOM 1246 NH1 ARG B 54 -8.572 -0.023 -15.411 1.00 0.00 N ATOM 1247 NH2 ARG B 54 -9.467 -1.729 -14.165 1.00 0.00 N ATOM 0 H ARG B 54 -6.322 3.775 -9.980 1.00 0.00 H new ATOM 0 HA ARG B 54 -8.237 2.494 -11.793 1.00 0.00 H new ATOM 0 HB2 ARG B 54 -6.354 1.000 -9.922 1.00 0.00 H new ATOM 0 HB3 ARG B 54 -7.702 0.280 -10.780 1.00 0.00 H new ATOM 0 HG2 ARG B 54 -5.305 1.587 -12.119 1.00 0.00 H new ATOM 0 HG3 ARG B 54 -5.487 -0.137 -11.859 1.00 0.00 H new ATOM 0 HD2 ARG B 54 -7.349 1.616 -13.512 1.00 0.00 H new ATOM 0 HD3 ARG B 54 -6.145 0.517 -14.154 1.00 0.00 H new ATOM 0 HE ARG B 54 -7.861 -0.971 -12.425 1.00 0.00 H new ATOM 0 HH11 ARG B 54 -7.916 0.752 -15.507 1.00 0.00 H new ATOM 0 HH12 ARG B 54 -9.196 -0.262 -16.182 1.00 0.00 H new ATOM 0 HH21 ARG B 54 -9.501 -2.269 -13.300 1.00 0.00 H new ATOM 0 HH22 ARG B 54 -10.089 -1.964 -14.938 1.00 0.00 H new ATOM 1261 N THR B 55 -9.870 2.451 -9.926 1.00 0.00 N ATOM 1262 CA THR B 55 -10.866 2.563 -8.865 1.00 0.00 C ATOM 1263 C THR B 55 -10.837 1.343 -7.947 1.00 0.00 C ATOM 1264 O THR B 55 -10.741 0.207 -8.412 1.00 0.00 O ATOM 1265 CB THR B 55 -12.285 2.727 -9.439 1.00 0.00 C ATOM 1266 OG1 THR B 55 -12.625 1.590 -10.241 1.00 0.00 O ATOM 1267 CG2 THR B 55 -12.388 3.992 -10.276 1.00 0.00 C ATOM 0 H THR B 55 -10.260 2.283 -10.853 1.00 0.00 H new ATOM 0 HA THR B 55 -10.611 3.452 -8.288 1.00 0.00 H new ATOM 0 HB THR B 55 -12.982 2.804 -8.605 1.00 0.00 H new ATOM 0 HG1 THR B 55 -13.357 1.096 -9.815 1.00 0.00 H new ATOM 0 HG21 THR B 55 -13.400 4.086 -10.671 1.00 0.00 H new ATOM 0 HG22 THR B 55 -12.159 4.858 -9.656 1.00 0.00 H new ATOM 0 HG23 THR B 55 -11.680 3.940 -11.103 1.00 0.00 H new ATOM 1275 N LEU B 56 -10.923 1.589 -6.642 1.00 0.00 N ATOM 1276 CA LEU B 56 -10.909 0.514 -5.654 1.00 0.00 C ATOM 1277 C LEU B 56 -12.108 -0.413 -5.830 1.00 0.00 C ATOM 1278 O LEU B 56 -12.052 -1.587 -5.467 1.00 0.00 O ATOM 1279 CB LEU B 56 -10.907 1.087 -4.233 1.00 0.00 C ATOM 1280 CG LEU B 56 -9.716 1.984 -3.887 1.00 0.00 C ATOM 1281 CD1 LEU B 56 -9.805 2.449 -2.441 1.00 0.00 C ATOM 1282 CD2 LEU B 56 -8.402 1.253 -4.128 1.00 0.00 C ATOM 0 H LEU B 56 -11.003 2.525 -6.244 1.00 0.00 H new ATOM 0 HA LEU B 56 -9.997 -0.063 -5.809 1.00 0.00 H new ATOM 0 HB2 LEU B 56 -11.824 1.658 -4.089 1.00 0.00 H new ATOM 0 HB3 LEU B 56 -10.933 0.258 -3.526 1.00 0.00 H new ATOM 0 HG LEU B 56 -9.746 2.858 -4.538 1.00 0.00 H new ATOM 0 HD11 LEU B 56 -8.951 3.086 -2.210 1.00 0.00 H new ATOM 0 HD12 LEU B 56 -10.727 3.012 -2.296 1.00 0.00 H new ATOM 0 HD13 LEU B 56 -9.801 1.583 -1.779 1.00 0.00 H new ATOM 0 HD21 LEU B 56 -7.569 1.909 -3.876 1.00 0.00 H new ATOM 0 HD22 LEU B 56 -8.363 0.360 -3.504 1.00 0.00 H new ATOM 0 HD23 LEU B 56 -8.333 0.966 -5.177 1.00 0.00 H new ATOM 1294 N SER B 57 -13.196 0.129 -6.375 1.00 0.00 N ATOM 1295 CA SER B 57 -14.418 -0.644 -6.586 1.00 0.00 C ATOM 1296 C SER B 57 -14.130 -1.946 -7.328 1.00 0.00 C ATOM 1297 O SER B 57 -14.625 -3.007 -6.947 1.00 0.00 O ATOM 1298 CB SER B 57 -15.441 0.185 -7.364 1.00 0.00 C ATOM 1299 OG SER B 57 -14.929 0.575 -8.627 1.00 0.00 O ATOM 0 H SER B 57 -13.256 1.101 -6.678 1.00 0.00 H new ATOM 0 HA SER B 57 -14.828 -0.895 -5.607 1.00 0.00 H new ATOM 0 HB2 SER B 57 -16.354 -0.395 -7.502 1.00 0.00 H new ATOM 0 HB3 SER B 57 -15.709 1.071 -6.788 1.00 0.00 H new ATOM 0 HG SER B 57 -15.603 1.102 -9.105 1.00 0.00 H new ATOM 1305 N ASP B 58 -13.325 -1.862 -8.383 1.00 0.00 N ATOM 1306 CA ASP B 58 -12.971 -3.042 -9.165 1.00 0.00 C ATOM 1307 C ASP B 58 -12.267 -4.074 -8.292 1.00 0.00 C ATOM 1308 O ASP B 58 -12.481 -5.277 -8.439 1.00 0.00 O ATOM 1309 CB ASP B 58 -12.077 -2.655 -10.344 1.00 0.00 C ATOM 1310 CG ASP B 58 -12.817 -1.834 -11.382 1.00 0.00 C ATOM 1311 OD1 ASP B 58 -13.349 -0.763 -11.023 1.00 0.00 O ATOM 1312 OD2 ASP B 58 -12.862 -2.261 -12.554 1.00 0.00 O ATOM 0 H ASP B 58 -12.907 -0.993 -8.715 1.00 0.00 H new ATOM 0 HA ASP B 58 -13.890 -3.482 -9.551 1.00 0.00 H new ATOM 0 HB2 ASP B 58 -11.222 -2.088 -9.978 1.00 0.00 H new ATOM 0 HB3 ASP B 58 -11.684 -3.558 -10.811 1.00 0.00 H new ATOM 1317 N TYR B 59 -11.427 -3.592 -7.381 1.00 0.00 N ATOM 1318 CA TYR B 59 -10.692 -4.468 -6.476 1.00 0.00 C ATOM 1319 C TYR B 59 -11.637 -5.150 -5.492 1.00 0.00 C ATOM 1320 O TYR B 59 -11.371 -6.261 -5.031 1.00 0.00 O ATOM 1321 CB TYR B 59 -9.626 -3.681 -5.705 1.00 0.00 C ATOM 1322 CG TYR B 59 -8.512 -3.127 -6.569 1.00 0.00 C ATOM 1323 CD1 TYR B 59 -8.784 -2.301 -7.653 1.00 0.00 C ATOM 1324 CD2 TYR B 59 -7.184 -3.431 -6.295 1.00 0.00 C ATOM 1325 CE1 TYR B 59 -7.765 -1.795 -8.439 1.00 0.00 C ATOM 1326 CE2 TYR B 59 -6.160 -2.929 -7.077 1.00 0.00 C ATOM 1327 CZ TYR B 59 -6.456 -2.112 -8.146 1.00 0.00 C ATOM 1328 OH TYR B 59 -5.439 -1.609 -8.925 1.00 0.00 O ATOM 0 H TYR B 59 -11.239 -2.598 -7.250 1.00 0.00 H new ATOM 0 HA TYR B 59 -10.202 -5.232 -7.080 1.00 0.00 H new ATOM 0 HB2 TYR B 59 -10.109 -2.856 -5.182 1.00 0.00 H new ATOM 0 HB3 TYR B 59 -9.191 -4.330 -4.945 1.00 0.00 H new ATOM 0 HD1 TYR B 59 -9.808 -2.050 -7.885 1.00 0.00 H new ATOM 0 HD2 TYR B 59 -6.948 -4.070 -5.457 1.00 0.00 H new ATOM 0 HE1 TYR B 59 -7.994 -1.155 -9.278 1.00 0.00 H new ATOM 0 HE2 TYR B 59 -5.133 -3.176 -6.851 1.00 0.00 H new ATOM 0 HH TYR B 59 -4.577 -1.927 -8.583 1.00 0.00 H new ATOM 1338 N ASN B 60 -12.730 -4.465 -5.160 1.00 0.00 N ATOM 1339 CA ASN B 60 -13.713 -4.987 -4.213 1.00 0.00 C ATOM 1340 C ASN B 60 -13.088 -5.150 -2.832 1.00 0.00 C ATOM 1341 O ASN B 60 -13.344 -6.129 -2.130 1.00 0.00 O ATOM 1342 CB ASN B 60 -14.283 -6.325 -4.697 1.00 0.00 C ATOM 1343 CG ASN B 60 -15.088 -6.186 -5.974 1.00 0.00 C ATOM 1344 OD1 ASN B 60 -14.576 -5.739 -6.999 1.00 0.00 O ATOM 1345 ND2 ASN B 60 -16.357 -6.572 -5.917 1.00 0.00 N ATOM 0 H ASN B 60 -12.957 -3.544 -5.535 1.00 0.00 H new ATOM 0 HA ASN B 60 -14.531 -4.270 -4.146 1.00 0.00 H new ATOM 0 HB2 ASN B 60 -13.465 -7.026 -4.862 1.00 0.00 H new ATOM 0 HB3 ASN B 60 -14.915 -6.750 -3.917 1.00 0.00 H new ATOM 0 HD21 ASN B 60 -16.949 -6.504 -6.745 1.00 0.00 H new ATOM 0 HD22 ASN B 60 -16.740 -6.937 -5.045 1.00 0.00 H new ATOM 1352 N ILE B 61 -12.268 -4.176 -2.450 1.00 0.00 N ATOM 1353 CA ILE B 61 -11.600 -4.198 -1.155 1.00 0.00 C ATOM 1354 C ILE B 61 -12.615 -4.131 -0.018 1.00 0.00 C ATOM 1355 O ILE B 61 -13.506 -3.282 -0.017 1.00 0.00 O ATOM 1356 CB ILE B 61 -10.605 -3.026 -1.027 1.00 0.00 C ATOM 1357 CG1 ILE B 61 -9.551 -3.112 -2.134 1.00 0.00 C ATOM 1358 CG2 ILE B 61 -9.944 -3.025 0.345 1.00 0.00 C ATOM 1359 CD1 ILE B 61 -8.573 -1.956 -2.138 1.00 0.00 C ATOM 0 H ILE B 61 -12.050 -3.360 -3.021 1.00 0.00 H new ATOM 0 HA ILE B 61 -11.051 -5.137 -1.086 1.00 0.00 H new ATOM 0 HB ILE B 61 -11.153 -2.090 -1.136 1.00 0.00 H new ATOM 0 HG12 ILE B 61 -8.997 -4.044 -2.024 1.00 0.00 H new ATOM 0 HG13 ILE B 61 -10.055 -3.153 -3.100 1.00 0.00 H new ATOM 0 HG21 ILE B 61 -9.247 -2.190 0.412 1.00 0.00 H new ATOM 0 HG22 ILE B 61 -10.707 -2.923 1.117 1.00 0.00 H new ATOM 0 HG23 ILE B 61 -9.404 -3.961 0.490 1.00 0.00 H new ATOM 0 HD11 ILE B 61 -7.858 -2.087 -2.950 1.00 0.00 H new ATOM 0 HD12 ILE B 61 -9.115 -1.021 -2.280 1.00 0.00 H new ATOM 0 HD13 ILE B 61 -8.041 -1.926 -1.187 1.00 0.00 H new ATOM 1371 N GLN B 62 -12.476 -5.036 0.946 1.00 0.00 N ATOM 1372 CA GLN B 62 -13.383 -5.084 2.088 1.00 0.00 C ATOM 1373 C GLN B 62 -13.146 -3.900 3.027 1.00 0.00 C ATOM 1374 O GLN B 62 -12.837 -2.794 2.580 1.00 0.00 O ATOM 1375 CB GLN B 62 -13.207 -6.405 2.843 1.00 0.00 C ATOM 1376 CG GLN B 62 -13.487 -7.639 1.997 1.00 0.00 C ATOM 1377 CD GLN B 62 -14.942 -7.762 1.571 1.00 0.00 C ATOM 1378 OE1 GLN B 62 -15.297 -8.661 0.809 1.00 0.00 O ATOM 1379 NE2 GLN B 62 -15.797 -6.872 2.067 1.00 0.00 N ATOM 0 H GLN B 62 -11.744 -5.746 0.959 1.00 0.00 H new ATOM 0 HA GLN B 62 -14.406 -5.020 1.716 1.00 0.00 H new ATOM 0 HB2 GLN B 62 -12.188 -6.461 3.225 1.00 0.00 H new ATOM 0 HB3 GLN B 62 -13.871 -6.410 3.707 1.00 0.00 H new ATOM 0 HG2 GLN B 62 -12.857 -7.611 1.108 1.00 0.00 H new ATOM 0 HG3 GLN B 62 -13.205 -8.528 2.560 1.00 0.00 H new ATOM 0 HE21 GLN B 62 -15.465 -6.141 2.696 1.00 0.00 H new ATOM 0 HE22 GLN B 62 -16.785 -6.920 1.818 1.00 0.00 H new ATOM 1388 N LYS B 63 -13.288 -4.139 4.329 1.00 0.00 N ATOM 1389 CA LYS B 63 -13.088 -3.096 5.329 1.00 0.00 C ATOM 1390 C LYS B 63 -11.989 -3.492 6.310 1.00 0.00 C ATOM 1391 O LYS B 63 -11.820 -4.672 6.621 1.00 0.00 O ATOM 1392 CB LYS B 63 -14.390 -2.820 6.082 1.00 0.00 C ATOM 1393 CG LYS B 63 -14.981 -4.051 6.751 1.00 0.00 C ATOM 1394 CD LYS B 63 -16.243 -3.712 7.527 1.00 0.00 C ATOM 1395 CE LYS B 63 -16.811 -4.937 8.227 1.00 0.00 C ATOM 1396 NZ LYS B 63 -15.836 -5.532 9.181 1.00 0.00 N ATOM 0 H LYS B 63 -13.541 -5.048 4.715 1.00 0.00 H new ATOM 0 HA LYS B 63 -12.781 -2.186 4.813 1.00 0.00 H new ATOM 0 HB2 LYS B 63 -14.207 -2.058 6.840 1.00 0.00 H new ATOM 0 HB3 LYS B 63 -15.122 -2.409 5.387 1.00 0.00 H new ATOM 0 HG2 LYS B 63 -15.208 -4.803 5.995 1.00 0.00 H new ATOM 0 HG3 LYS B 63 -14.245 -4.489 7.425 1.00 0.00 H new ATOM 0 HD2 LYS B 63 -16.022 -2.940 8.264 1.00 0.00 H new ATOM 0 HD3 LYS B 63 -16.990 -3.300 6.848 1.00 0.00 H new ATOM 0 HE2 LYS B 63 -17.720 -4.661 8.762 1.00 0.00 H new ATOM 0 HE3 LYS B 63 -17.093 -5.682 7.483 1.00 0.00 H new ATOM 0 HZ1 LYS B 63 -16.329 -6.193 9.815 1.00 0.00 H new ATOM 0 HZ2 LYS B 63 -15.101 -6.043 8.652 1.00 0.00 H new ATOM 0 HZ3 LYS B 63 -15.396 -4.776 9.744 1.00 0.00 H new ATOM 1410 N GLU B 64 -11.241 -2.500 6.786 1.00 0.00 N ATOM 1411 CA GLU B 64 -10.150 -2.737 7.727 1.00 0.00 C ATOM 1412 C GLU B 64 -9.067 -3.605 7.096 1.00 0.00 C ATOM 1413 O GLU B 64 -8.421 -4.403 7.775 1.00 0.00 O ATOM 1414 CB GLU B 64 -10.676 -3.399 9.004 1.00 0.00 C ATOM 1415 CG GLU B 64 -11.732 -2.575 9.724 1.00 0.00 C ATOM 1416 CD GLU B 64 -12.254 -3.254 10.976 1.00 0.00 C ATOM 1417 OE1 GLU B 64 -11.794 -4.374 11.283 1.00 0.00 O ATOM 1418 OE2 GLU B 64 -13.125 -2.665 11.650 1.00 0.00 O ATOM 0 H GLU B 64 -11.371 -1.520 6.534 1.00 0.00 H new ATOM 0 HA GLU B 64 -9.713 -1.772 7.985 1.00 0.00 H new ATOM 0 HB2 GLU B 64 -11.096 -4.373 8.752 1.00 0.00 H new ATOM 0 HB3 GLU B 64 -9.841 -3.577 9.682 1.00 0.00 H new ATOM 0 HG2 GLU B 64 -11.311 -1.606 9.991 1.00 0.00 H new ATOM 0 HG3 GLU B 64 -12.564 -2.385 9.045 1.00 0.00 H new ATOM 1425 N SER B 65 -8.868 -3.435 5.791 1.00 0.00 N ATOM 1426 CA SER B 65 -7.855 -4.194 5.066 1.00 0.00 C ATOM 1427 C SER B 65 -6.464 -3.644 5.359 1.00 0.00 C ATOM 1428 O SER B 65 -6.253 -2.431 5.353 1.00 0.00 O ATOM 1429 CB SER B 65 -8.129 -4.150 3.561 1.00 0.00 C ATOM 1430 OG SER B 65 -9.386 -4.728 3.252 1.00 0.00 O ATOM 0 H SER B 65 -9.395 -2.778 5.215 1.00 0.00 H new ATOM 0 HA SER B 65 -7.900 -5.230 5.401 1.00 0.00 H new ATOM 0 HB2 SER B 65 -8.106 -3.117 3.214 1.00 0.00 H new ATOM 0 HB3 SER B 65 -7.340 -4.682 3.029 1.00 0.00 H new ATOM 0 HG SER B 65 -9.354 -5.121 2.355 1.00 0.00 H new ATOM 1436 N THR B 66 -5.518 -4.541 5.617 1.00 0.00 N ATOM 1437 CA THR B 66 -4.149 -4.139 5.912 1.00 0.00 C ATOM 1438 C THR B 66 -3.335 -3.979 4.631 1.00 0.00 C ATOM 1439 O THR B 66 -2.752 -4.942 4.132 1.00 0.00 O ATOM 1440 CB THR B 66 -3.452 -5.162 6.830 1.00 0.00 C ATOM 1441 OG1 THR B 66 -4.193 -5.312 8.046 1.00 0.00 O ATOM 1442 CG2 THR B 66 -2.030 -4.724 7.153 1.00 0.00 C ATOM 0 H THR B 66 -5.674 -5.549 5.628 1.00 0.00 H new ATOM 0 HA THR B 66 -4.202 -3.179 6.425 1.00 0.00 H new ATOM 0 HB THR B 66 -3.412 -6.116 6.305 1.00 0.00 H new ATOM 0 HG1 THR B 66 -3.745 -5.965 8.624 1.00 0.00 H new ATOM 0 HG21 THR B 66 -1.560 -5.463 7.802 1.00 0.00 H new ATOM 0 HG22 THR B 66 -1.458 -4.636 6.229 1.00 0.00 H new ATOM 0 HG23 THR B 66 -2.053 -3.759 7.659 1.00 0.00 H new ATOM 1450 N LEU B 67 -3.288 -2.756 4.109 1.00 0.00 N ATOM 1451 CA LEU B 67 -2.532 -2.476 2.892 1.00 0.00 C ATOM 1452 C LEU B 67 -1.065 -2.230 3.218 1.00 0.00 C ATOM 1453 O LEU B 67 -0.744 -1.494 4.148 1.00 0.00 O ATOM 1454 CB LEU B 67 -3.117 -1.271 2.147 1.00 0.00 C ATOM 1455 CG LEU B 67 -4.467 -1.514 1.465 1.00 0.00 C ATOM 1456 CD1 LEU B 67 -5.560 -1.765 2.493 1.00 0.00 C ATOM 1457 CD2 LEU B 67 -4.831 -0.337 0.574 1.00 0.00 C ATOM 0 H LEU B 67 -3.763 -1.946 4.508 1.00 0.00 H new ATOM 0 HA LEU B 67 -2.606 -3.349 2.243 1.00 0.00 H new ATOM 0 HB2 LEU B 67 -3.228 -0.448 2.853 1.00 0.00 H new ATOM 0 HB3 LEU B 67 -2.400 -0.949 1.392 1.00 0.00 H new ATOM 0 HG LEU B 67 -4.378 -2.405 0.844 1.00 0.00 H new ATOM 0 HD11 LEU B 67 -6.508 -1.934 1.982 1.00 0.00 H new ATOM 0 HD12 LEU B 67 -5.306 -2.643 3.087 1.00 0.00 H new ATOM 0 HD13 LEU B 67 -5.650 -0.898 3.147 1.00 0.00 H new ATOM 0 HD21 LEU B 67 -5.793 -0.526 0.097 1.00 0.00 H new ATOM 0 HD22 LEU B 67 -4.896 0.569 1.177 1.00 0.00 H new ATOM 0 HD23 LEU B 67 -4.065 -0.209 -0.191 1.00 0.00 H new ATOM 1469 N HIS B 68 -0.178 -2.855 2.454 1.00 0.00 N ATOM 1470 CA HIS B 68 1.256 -2.707 2.671 1.00 0.00 C ATOM 1471 C HIS B 68 1.800 -1.440 2.018 1.00 0.00 C ATOM 1472 O HIS B 68 1.353 -1.041 0.946 1.00 0.00 O ATOM 1473 CB HIS B 68 1.991 -3.938 2.143 1.00 0.00 C ATOM 1474 CG HIS B 68 1.827 -5.140 3.020 1.00 0.00 C ATOM 1475 ND1 HIS B 68 0.602 -5.599 3.456 1.00 0.00 N ATOM 1476 CD2 HIS B 68 2.748 -5.975 3.552 1.00 0.00 C ATOM 1477 CE1 HIS B 68 0.781 -6.660 4.224 1.00 0.00 C ATOM 1478 NE2 HIS B 68 2.073 -6.908 4.297 1.00 0.00 N ATOM 0 H HIS B 68 -0.426 -3.469 1.678 1.00 0.00 H new ATOM 0 HA HIS B 68 1.426 -2.618 3.744 1.00 0.00 H new ATOM 0 HB2 HIS B 68 1.624 -4.172 1.144 1.00 0.00 H new ATOM 0 HB3 HIS B 68 3.052 -3.707 2.047 1.00 0.00 H new ATOM 0 HD1 HIS B 68 -0.300 -5.185 3.223 1.00 0.00 H new ATOM 0 HD2 HIS B 68 3.818 -5.918 3.415 1.00 0.00 H new ATOM 0 HE1 HIS B 68 0.001 -7.227 4.709 1.00 0.00 H new ATOM 1487 N LEU B 69 2.769 -0.810 2.676 1.00 0.00 N ATOM 1488 CA LEU B 69 3.377 0.411 2.158 1.00 0.00 C ATOM 1489 C LEU B 69 4.900 0.295 2.193 1.00 0.00 C ATOM 1490 O LEU B 69 5.475 -0.097 3.208 1.00 0.00 O ATOM 1491 CB LEU B 69 2.911 1.619 2.983 1.00 0.00 C ATOM 1492 CG LEU B 69 3.177 2.994 2.367 1.00 0.00 C ATOM 1493 CD1 LEU B 69 2.401 4.066 3.117 1.00 0.00 C ATOM 1494 CD2 LEU B 69 4.659 3.311 2.391 1.00 0.00 C ATOM 0 H LEU B 69 3.150 -1.125 3.568 1.00 0.00 H new ATOM 0 HA LEU B 69 3.064 0.553 1.124 1.00 0.00 H new ATOM 0 HB2 LEU B 69 1.840 1.523 3.159 1.00 0.00 H new ATOM 0 HB3 LEU B 69 3.399 1.579 3.957 1.00 0.00 H new ATOM 0 HG LEU B 69 2.843 2.977 1.330 1.00 0.00 H new ATOM 0 HD11 LEU B 69 2.599 5.040 2.669 1.00 0.00 H new ATOM 0 HD12 LEU B 69 1.334 3.850 3.059 1.00 0.00 H new ATOM 0 HD13 LEU B 69 2.713 4.077 4.161 1.00 0.00 H new ATOM 0 HD21 LEU B 69 4.828 4.293 1.949 1.00 0.00 H new ATOM 0 HD22 LEU B 69 5.014 3.311 3.421 1.00 0.00 H new ATOM 0 HD23 LEU B 69 5.202 2.557 1.820 1.00 0.00 H new ATOM 1506 N VAL B 70 5.548 0.639 1.081 1.00 0.00 N ATOM 1507 CA VAL B 70 7.002 0.571 0.995 1.00 0.00 C ATOM 1508 C VAL B 70 7.590 1.955 0.753 1.00 0.00 C ATOM 1509 O VAL B 70 7.235 2.629 -0.216 1.00 0.00 O ATOM 1510 CB VAL B 70 7.460 -0.369 -0.139 1.00 0.00 C ATOM 1511 CG1 VAL B 70 8.949 -0.669 -0.026 1.00 0.00 C ATOM 1512 CG2 VAL B 70 6.648 -1.653 -0.134 1.00 0.00 C ATOM 0 H VAL B 70 5.089 0.966 0.231 1.00 0.00 H new ATOM 0 HA VAL B 70 7.360 0.177 1.946 1.00 0.00 H new ATOM 0 HB VAL B 70 7.289 0.137 -1.089 1.00 0.00 H new ATOM 0 HG11 VAL B 70 9.249 -1.334 -0.836 1.00 0.00 H new ATOM 0 HG12 VAL B 70 9.514 0.261 -0.092 1.00 0.00 H new ATOM 0 HG13 VAL B 70 9.152 -1.149 0.931 1.00 0.00 H new ATOM 0 HG21 VAL B 70 6.988 -2.301 -0.942 1.00 0.00 H new ATOM 0 HG22 VAL B 70 6.780 -2.163 0.820 1.00 0.00 H new ATOM 0 HG23 VAL B 70 5.593 -1.417 -0.277 1.00 0.00 H new ATOM 1522 N LEU B 71 8.488 2.375 1.636 1.00 0.00 N ATOM 1523 CA LEU B 71 9.123 3.680 1.513 1.00 0.00 C ATOM 1524 C LEU B 71 10.338 3.610 0.598 1.00 0.00 C ATOM 1525 O LEU B 71 11.302 2.900 0.883 1.00 0.00 O ATOM 1526 CB LEU B 71 9.542 4.210 2.888 1.00 0.00 C ATOM 1527 CG LEU B 71 8.396 4.570 3.838 1.00 0.00 C ATOM 1528 CD1 LEU B 71 7.634 3.326 4.268 1.00 0.00 C ATOM 1529 CD2 LEU B 71 8.929 5.317 5.051 1.00 0.00 C ATOM 0 H LEU B 71 8.792 1.831 2.444 1.00 0.00 H new ATOM 0 HA LEU B 71 8.395 4.363 1.076 1.00 0.00 H new ATOM 0 HB2 LEU B 71 10.168 3.460 3.371 1.00 0.00 H new ATOM 0 HB3 LEU B 71 10.161 5.095 2.743 1.00 0.00 H new ATOM 0 HG LEU B 71 7.703 5.221 3.305 1.00 0.00 H new ATOM 0 HD11 LEU B 71 6.826 3.609 4.942 1.00 0.00 H new ATOM 0 HD12 LEU B 71 7.218 2.832 3.390 1.00 0.00 H new ATOM 0 HD13 LEU B 71 8.312 2.643 4.781 1.00 0.00 H new ATOM 0 HD21 LEU B 71 8.103 5.566 5.717 1.00 0.00 H new ATOM 0 HD22 LEU B 71 9.645 4.688 5.580 1.00 0.00 H new ATOM 0 HD23 LEU B 71 9.422 6.233 4.726 1.00 0.00 H new ATOM 1541 N ARG B 72 10.290 4.361 -0.495 1.00 0.00 N ATOM 1542 CA ARG B 72 11.396 4.397 -1.446 1.00 0.00 C ATOM 1543 C ARG B 72 12.579 5.160 -0.857 1.00 0.00 C ATOM 1544 O ARG B 72 12.401 6.194 -0.213 1.00 0.00 O ATOM 1545 CB ARG B 72 10.951 5.049 -2.757 1.00 0.00 C ATOM 1546 CG ARG B 72 12.063 5.165 -3.788 1.00 0.00 C ATOM 1547 CD ARG B 72 11.582 5.856 -5.053 1.00 0.00 C ATOM 1548 NE ARG B 72 12.658 6.017 -6.028 1.00 0.00 N ATOM 1549 CZ ARG B 72 12.499 6.593 -7.215 1.00 0.00 C ATOM 1550 NH1 ARG B 72 11.309 7.053 -7.580 1.00 0.00 N ATOM 1551 NH2 ARG B 72 13.531 6.710 -8.040 1.00 0.00 N ATOM 0 H ARG B 72 9.498 4.953 -0.746 1.00 0.00 H new ATOM 0 HA ARG B 72 11.707 3.373 -1.652 1.00 0.00 H new ATOM 0 HB2 ARG B 72 10.132 4.469 -3.182 1.00 0.00 H new ATOM 0 HB3 ARG B 72 10.560 6.044 -2.544 1.00 0.00 H new ATOM 0 HG2 ARG B 72 12.898 5.723 -3.363 1.00 0.00 H new ATOM 0 HG3 ARG B 72 12.436 4.171 -4.035 1.00 0.00 H new ATOM 0 HD2 ARG B 72 10.773 5.277 -5.498 1.00 0.00 H new ATOM 0 HD3 ARG B 72 11.172 6.834 -4.799 1.00 0.00 H new ATOM 0 HE ARG B 72 13.584 5.667 -5.784 1.00 0.00 H new ATOM 0 HH11 ARG B 72 10.513 6.965 -6.949 1.00 0.00 H new ATOM 0 HH12 ARG B 72 11.191 7.495 -8.492 1.00 0.00 H new ATOM 0 HH21 ARG B 72 14.447 6.358 -7.764 1.00 0.00 H new ATOM 0 HH22 ARG B 72 13.408 7.152 -8.951 1.00 0.00 H new