USER MOD reduce.3.24.130724 H: found=0, std=0, add=301, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 307 hydrogens (4 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 NoAdj-H: B 214 SEP H2 : B 214 SEP N : B 213 GLY C :(H bumps) USER MOD Set 1.1: A 242 GLN : amide:sc= -0.563 K(o=-0.56,f=-3.7!) USER MOD Set 1.2: A 244 THR OG1 : rot 180:sc= 0 USER MOD Single : A 240 TYR OH : rot 180:sc= 0 USER MOD Single : A 245 THR OG1 : rot 176:sc= -0.999! USER MOD Single : A 247 GLN : amide:sc= 0.431 K(o=0.43,f=-4.5!) USER MOD Single : A 249 GLN : amide:sc= -4.46! C(o=-4.5!,f=-3.9!) USER MOD Single : A 251 TYR OH : rot 167:sc= 0.959 USER MOD Single : A 254 HIS : no HD1:sc= -2.11 K(o=-2.1,f=-0.16) USER MOD Single : A 255 THR OG1 : rot 180:sc= 0 USER MOD Single : A 256 GLN : amide:sc= -0.829 K(o=-0.83,f=0) USER MOD Single : A 257 THR OG1 : rot 180:sc= 0 USER MOD Single : A 260 SER OG : rot 48:sc= 0.0644 USER MOD Single : A 261 THR OG1 : rot 101:sc= 0.022 USER MOD Single : A 263 HIS : no HE2:sc= -0.0899 X(o=-0.09,f=-0.55) USER MOD Single : B 210 SER OG : rot -27:sc= 0.0931 USER MOD Single : B 217 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 235 -8.522 6.169 -4.912 1.00 15.00 N ATOM 2 CA GLU A 235 -9.637 6.363 -3.958 1.00 15.00 C ATOM 3 C GLU A 235 -9.823 5.102 -3.128 1.00 15.00 C ATOM 4 O GLU A 235 -10.396 4.122 -3.599 1.00 15.00 O ATOM 5 CB GLU A 235 -10.948 6.697 -4.690 1.00 15.00 C ATOM 6 CG GLU A 235 -10.900 7.966 -5.534 1.00 15.00 C ATOM 7 CD GLU A 235 -10.070 7.806 -6.791 1.00 15.00 C ATOM 8 OE1 GLU A 235 -8.842 8.013 -6.724 1.00 15.00 O ATOM 9 OE2 GLU A 235 -10.636 7.447 -7.843 1.00 15.00 O1- ATOM 0 HA GLU A 235 -9.387 7.202 -3.309 1.00 15.00 H new ATOM 0 HB2 GLU A 235 -11.213 5.858 -5.334 1.00 15.00 H new ATOM 0 HB3 GLU A 235 -11.745 6.797 -3.953 1.00 15.00 H new ATOM 0 HG2 GLU A 235 -11.915 8.252 -5.809 1.00 15.00 H new ATOM 0 HG3 GLU A 235 -10.490 8.779 -4.935 1.00 15.00 H new ATOM 18 N LEU A 236 -9.310 5.109 -1.909 1.00 15.00 N ATOM 19 CA LEU A 236 -9.361 3.922 -1.069 1.00 15.00 C ATOM 20 C LEU A 236 -10.312 4.131 0.091 1.00 15.00 C ATOM 21 O LEU A 236 -10.717 5.258 0.386 1.00 15.00 O ATOM 22 CB LEU A 236 -7.978 3.561 -0.484 1.00 15.00 C ATOM 23 CG LEU A 236 -6.815 3.432 -1.472 1.00 15.00 C ATOM 24 CD1 LEU A 236 -7.226 2.614 -2.674 1.00 15.00 C ATOM 25 CD2 LEU A 236 -6.300 4.796 -1.892 1.00 15.00 C ATOM 0 H LEU A 236 -8.857 5.916 -1.481 1.00 15.00 H new ATOM 0 HA LEU A 236 -9.703 3.109 -1.710 1.00 15.00 H new ATOM 0 HB2 LEU A 236 -7.714 4.320 0.252 1.00 15.00 H new ATOM 0 HB3 LEU A 236 -8.073 2.616 0.052 1.00 15.00 H new ATOM 0 HG LEU A 236 -6.000 2.912 -0.969 1.00 15.00 H new ATOM 0 HD11 LEU A 236 -6.386 2.534 -3.364 1.00 15.00 H new ATOM 0 HD12 LEU A 236 -7.526 1.617 -2.350 1.00 15.00 H new ATOM 0 HD13 LEU A 236 -8.063 3.100 -3.176 1.00 15.00 H new ATOM 0 HD21 LEU A 236 -5.475 4.673 -2.593 1.00 15.00 H new ATOM 0 HD22 LEU A 236 -7.103 5.356 -2.371 1.00 15.00 H new ATOM 0 HD23 LEU A 236 -5.952 5.340 -1.014 1.00 15.00 H new ATOM 37 N PRO A 237 -10.676 3.038 0.764 1.00 15.00 N ATOM 38 CA PRO A 237 -11.293 3.106 2.086 1.00 15.00 C ATOM 39 C PRO A 237 -10.287 3.578 3.119 1.00 15.00 C ATOM 40 O PRO A 237 -9.082 3.637 2.864 1.00 15.00 O ATOM 41 CB PRO A 237 -11.711 1.657 2.374 1.00 15.00 C ATOM 42 CG PRO A 237 -11.662 0.954 1.059 1.00 15.00 C ATOM 43 CD PRO A 237 -10.612 1.660 0.249 1.00 15.00 C ATOM 0 HA PRO A 237 -12.129 3.804 2.124 1.00 15.00 H new ATOM 0 HB2 PRO A 237 -11.037 1.191 3.093 1.00 15.00 H new ATOM 0 HB3 PRO A 237 -12.712 1.616 2.803 1.00 15.00 H new ATOM 0 HG2 PRO A 237 -11.412 -0.099 1.189 1.00 15.00 H new ATOM 0 HG3 PRO A 237 -12.630 0.992 0.560 1.00 15.00 H new ATOM 0 HD2 PRO A 237 -9.625 1.219 0.393 1.00 15.00 H new ATOM 0 HD3 PRO A 237 -10.827 1.617 -0.819 1.00 15.00 H new ATOM 51 N GLU A 238 -10.798 3.933 4.265 1.00 15.00 N ATOM 52 CA GLU A 238 -9.984 4.483 5.340 1.00 15.00 C ATOM 53 C GLU A 238 -9.064 3.428 5.952 1.00 15.00 C ATOM 54 O GLU A 238 -9.416 2.251 6.053 1.00 15.00 O ATOM 55 CB GLU A 238 -10.901 5.070 6.406 1.00 15.00 C ATOM 56 CG GLU A 238 -11.784 6.180 5.867 1.00 15.00 C ATOM 57 CD GLU A 238 -12.926 6.525 6.794 1.00 15.00 C ATOM 58 OE1 GLU A 238 -13.833 5.686 6.961 1.00 15.00 O1- ATOM 59 OE2 GLU A 238 -12.926 7.640 7.355 1.00 15.00 O ATOM 0 H GLU A 238 -11.789 3.854 4.491 1.00 15.00 H new ATOM 0 HA GLU A 238 -9.346 5.264 4.926 1.00 15.00 H new ATOM 0 HB2 GLU A 238 -11.528 4.279 6.817 1.00 15.00 H new ATOM 0 HB3 GLU A 238 -10.297 5.457 7.227 1.00 15.00 H new ATOM 0 HG2 GLU A 238 -11.178 7.070 5.698 1.00 15.00 H new ATOM 0 HG3 GLU A 238 -12.186 5.880 4.899 1.00 15.00 H new ATOM 66 N GLY A 239 -7.895 3.879 6.391 1.00 15.00 N ATOM 67 CA GLY A 239 -6.921 2.991 7.002 1.00 15.00 C ATOM 68 C GLY A 239 -5.809 2.576 6.056 1.00 15.00 C ATOM 69 O GLY A 239 -4.918 1.821 6.442 1.00 15.00 O ATOM 0 H GLY A 239 -7.601 4.854 6.334 1.00 15.00 H new ATOM 0 HA2 GLY A 239 -6.484 3.485 7.870 1.00 15.00 H new ATOM 0 HA3 GLY A 239 -7.431 2.099 7.365 1.00 15.00 H new ATOM 73 N TYR A 240 -5.839 3.068 4.828 1.00 15.00 N ATOM 74 CA TYR A 240 -4.825 2.688 3.854 1.00 15.00 C ATOM 75 C TYR A 240 -3.722 3.721 3.767 1.00 15.00 C ATOM 76 O TYR A 240 -3.959 4.895 3.472 1.00 15.00 O ATOM 77 CB TYR A 240 -5.442 2.430 2.471 1.00 15.00 C ATOM 78 CG TYR A 240 -6.284 1.185 2.468 1.00 15.00 C ATOM 79 CD1 TYR A 240 -5.698 -0.042 2.701 1.00 15.00 C ATOM 80 CD2 TYR A 240 -7.656 1.237 2.299 1.00 15.00 C ATOM 81 CE1 TYR A 240 -6.453 -1.196 2.762 1.00 15.00 C ATOM 82 CE2 TYR A 240 -8.424 0.099 2.372 1.00 15.00 C ATOM 83 CZ TYR A 240 -7.822 -1.117 2.603 1.00 15.00 C ATOM 84 OH TYR A 240 -8.587 -2.255 2.685 1.00 15.00 O ATOM 0 H TYR A 240 -6.542 3.722 4.484 1.00 15.00 H new ATOM 0 HA TYR A 240 -4.381 1.755 4.202 1.00 15.00 H new ATOM 0 HB2 TYR A 240 -6.053 3.284 2.179 1.00 15.00 H new ATOM 0 HB3 TYR A 240 -4.649 2.336 1.729 1.00 15.00 H new ATOM 0 HD1 TYR A 240 -4.628 -0.101 2.838 1.00 15.00 H new ATOM 0 HD2 TYR A 240 -8.132 2.187 2.107 1.00 15.00 H new ATOM 0 HE1 TYR A 240 -5.978 -2.151 2.932 1.00 15.00 H new ATOM 0 HE2 TYR A 240 -9.495 0.159 2.249 1.00 15.00 H new ATOM 0 HH TYR A 240 -9.530 -2.025 2.551 1.00 15.00 H new ATOM 94 N GLU A 241 -2.514 3.266 4.032 1.00 15.00 N ATOM 95 CA GLU A 241 -1.336 4.079 3.854 1.00 15.00 C ATOM 96 C GLU A 241 -0.819 3.887 2.440 1.00 15.00 C ATOM 97 O GLU A 241 -0.194 2.877 2.121 1.00 15.00 O ATOM 98 CB GLU A 241 -0.231 3.706 4.851 1.00 15.00 C ATOM 99 CG GLU A 241 -0.518 4.065 6.301 1.00 15.00 C ATOM 100 CD GLU A 241 -1.512 3.142 6.984 1.00 15.00 C ATOM 101 OE1 GLU A 241 -1.224 1.930 7.128 1.00 15.00 O1- ATOM 102 OE2 GLU A 241 -2.577 3.639 7.409 1.00 15.00 O ATOM 0 H GLU A 241 -2.325 2.324 4.376 1.00 15.00 H new ATOM 0 HA GLU A 241 -1.608 5.120 4.031 1.00 15.00 H new ATOM 0 HB2 GLU A 241 -0.054 2.632 4.788 1.00 15.00 H new ATOM 0 HB3 GLU A 241 0.692 4.200 4.547 1.00 15.00 H new ATOM 0 HG2 GLU A 241 0.418 4.050 6.860 1.00 15.00 H new ATOM 0 HG3 GLU A 241 -0.898 5.086 6.343 1.00 15.00 H new ATOM 109 N GLN A 242 -1.124 4.830 1.579 1.00 15.00 N ATOM 110 CA GLN A 242 -0.668 4.752 0.206 1.00 15.00 C ATOM 111 C GLN A 242 0.675 5.435 0.109 1.00 15.00 C ATOM 112 O GLN A 242 0.786 6.638 0.340 1.00 15.00 O ATOM 113 CB GLN A 242 -1.684 5.392 -0.753 1.00 15.00 C ATOM 114 CG GLN A 242 -1.449 5.070 -2.228 1.00 15.00 C ATOM 115 CD GLN A 242 -0.617 6.104 -2.972 1.00 15.00 C ATOM 116 OE1 GLN A 242 0.253 6.758 -2.407 1.00 15.00 O ATOM 117 NE2 GLN A 242 -0.891 6.262 -4.256 1.00 15.00 N ATOM 0 H GLN A 242 -1.681 5.655 1.800 1.00 15.00 H new ATOM 0 HA GLN A 242 -0.570 3.707 -0.088 1.00 15.00 H new ATOM 0 HB2 GLN A 242 -2.685 5.061 -0.476 1.00 15.00 H new ATOM 0 HB3 GLN A 242 -1.658 6.474 -0.621 1.00 15.00 H new ATOM 0 HG2 GLN A 242 -0.954 4.102 -2.302 1.00 15.00 H new ATOM 0 HG3 GLN A 242 -2.414 4.973 -2.724 1.00 15.00 H new ATOM 0 HE21 GLN A 242 -1.621 5.701 -4.694 1.00 15.00 H new ATOM 0 HE22 GLN A 242 -0.372 6.945 -4.808 1.00 15.00 H new ATOM 126 N ARG A 243 1.703 4.667 -0.181 1.00 15.00 N ATOM 127 CA ARG A 243 3.024 5.233 -0.305 1.00 15.00 C ATOM 128 C ARG A 243 3.535 5.161 -1.716 1.00 15.00 C ATOM 129 O ARG A 243 3.309 4.198 -2.452 1.00 15.00 O ATOM 130 CB ARG A 243 4.018 4.573 0.636 1.00 15.00 C ATOM 131 CG ARG A 243 4.098 5.252 1.984 1.00 15.00 C ATOM 132 CD ARG A 243 5.158 4.611 2.856 1.00 15.00 C ATOM 133 NE ARG A 243 5.118 5.103 4.232 1.00 15.00 N ATOM 134 CZ ARG A 243 6.184 5.551 4.893 1.00 15.00 C ATOM 135 NH1 ARG A 243 7.387 5.511 4.329 1.00 15.00 N1+ ATOM 136 NH2 ARG A 243 6.053 6.003 6.133 1.00 15.00 N ATOM 0 H ARG A 243 1.649 3.660 -0.333 1.00 15.00 H new ATOM 0 HA ARG A 243 2.930 6.282 -0.024 1.00 15.00 H new ATOM 0 HB2 ARG A 243 3.738 3.529 0.778 1.00 15.00 H new ATOM 0 HB3 ARG A 243 5.005 4.578 0.174 1.00 15.00 H new ATOM 0 HG2 ARG A 243 4.325 6.310 1.849 1.00 15.00 H new ATOM 0 HG3 ARG A 243 3.130 5.194 2.482 1.00 15.00 H new ATOM 0 HD2 ARG A 243 5.021 3.530 2.855 1.00 15.00 H new ATOM 0 HD3 ARG A 243 6.142 4.807 2.431 1.00 15.00 H new ATOM 0 HE ARG A 243 4.220 5.103 4.715 1.00 15.00 H new ATOM 0 HH11 ARG A 243 7.496 5.136 3.387 1.00 15.00 H new ATOM 0 HH12 ARG A 243 8.201 5.855 4.839 1.00 15.00 H new ATOM 0 HH21 ARG A 243 5.136 6.007 6.580 1.00 15.00 H new ATOM 0 HH22 ARG A 243 6.869 6.346 6.640 1.00 15.00 H new ATOM 150 N THR A 244 4.267 6.189 -2.046 1.00 15.00 N ATOM 151 CA THR A 244 4.887 6.332 -3.343 1.00 15.00 C ATOM 152 C THR A 244 6.391 6.429 -3.144 1.00 15.00 C ATOM 153 O THR A 244 6.937 7.507 -2.897 1.00 15.00 O ATOM 154 CB THR A 244 4.370 7.581 -4.085 1.00 15.00 C ATOM 155 OG1 THR A 244 2.936 7.620 -4.038 1.00 15.00 O ATOM 156 CG2 THR A 244 4.828 7.580 -5.537 1.00 15.00 C ATOM 0 H THR A 244 4.455 6.967 -1.413 1.00 15.00 H new ATOM 0 HA THR A 244 4.636 5.466 -3.955 1.00 15.00 H new ATOM 0 HB THR A 244 4.778 8.462 -3.590 1.00 15.00 H new ATOM 0 HG1 THR A 244 2.615 8.417 -4.510 1.00 15.00 H new ATOM 0 HG21 THR A 244 4.450 8.471 -6.038 1.00 15.00 H new ATOM 0 HG22 THR A 244 5.917 7.577 -5.575 1.00 15.00 H new ATOM 0 HG23 THR A 244 4.445 6.692 -6.039 1.00 15.00 H new ATOM 164 N THR A 245 7.043 5.289 -3.202 1.00 15.00 N ATOM 165 CA THR A 245 8.447 5.187 -2.864 1.00 15.00 C ATOM 166 C THR A 245 9.323 5.422 -4.091 1.00 15.00 C ATOM 167 O THR A 245 8.909 5.144 -5.225 1.00 15.00 O ATOM 168 CB THR A 245 8.754 3.815 -2.218 1.00 15.00 C ATOM 169 OG1 THR A 245 10.151 3.689 -1.920 1.00 15.00 O ATOM 170 CG2 THR A 245 8.312 2.676 -3.125 1.00 15.00 C ATOM 0 H THR A 245 6.616 4.407 -3.484 1.00 15.00 H new ATOM 0 HA THR A 245 8.679 5.964 -2.136 1.00 15.00 H new ATOM 0 HB THR A 245 8.192 3.757 -1.286 1.00 15.00 H new ATOM 0 HG1 THR A 245 10.311 2.841 -1.456 1.00 15.00 H new ATOM 0 HG21 THR A 245 8.539 1.722 -2.648 1.00 15.00 H new ATOM 0 HG22 THR A 245 7.239 2.747 -3.302 1.00 15.00 H new ATOM 0 HG23 THR A 245 8.841 2.741 -4.076 1.00 15.00 H new ATOM 178 N VAL A 246 10.522 5.960 -3.855 1.00 15.00 N ATOM 179 CA VAL A 246 11.488 6.271 -4.916 1.00 15.00 C ATOM 180 C VAL A 246 11.793 5.035 -5.774 1.00 15.00 C ATOM 181 O VAL A 246 12.343 5.142 -6.872 1.00 15.00 O ATOM 182 CB VAL A 246 12.804 6.830 -4.319 1.00 15.00 C ATOM 183 CG1 VAL A 246 13.746 7.323 -5.409 1.00 15.00 C ATOM 184 CG2 VAL A 246 12.507 7.945 -3.328 1.00 15.00 C ATOM 0 H VAL A 246 10.853 6.194 -2.919 1.00 15.00 H new ATOM 0 HA VAL A 246 11.036 7.032 -5.552 1.00 15.00 H new ATOM 0 HB VAL A 246 13.302 6.016 -3.793 1.00 15.00 H new ATOM 0 HG11 VAL A 246 14.659 7.708 -4.954 1.00 15.00 H new ATOM 0 HG12 VAL A 246 13.994 6.498 -6.077 1.00 15.00 H new ATOM 0 HG13 VAL A 246 13.261 8.117 -5.977 1.00 15.00 H new ATOM 0 HG21 VAL A 246 13.442 8.326 -2.918 1.00 15.00 H new ATOM 0 HG22 VAL A 246 11.978 8.751 -3.836 1.00 15.00 H new ATOM 0 HG23 VAL A 246 11.888 7.557 -2.519 1.00 15.00 H new ATOM 194 N GLN A 247 11.417 3.866 -5.263 1.00 15.00 N ATOM 195 CA GLN A 247 11.562 2.601 -5.980 1.00 15.00 C ATOM 196 C GLN A 247 10.789 2.625 -7.307 1.00 15.00 C ATOM 197 O GLN A 247 10.980 1.761 -8.163 1.00 15.00 O ATOM 198 CB GLN A 247 11.042 1.450 -5.110 1.00 15.00 C ATOM 199 CG GLN A 247 11.471 1.533 -3.654 1.00 15.00 C ATOM 200 CD GLN A 247 12.951 1.301 -3.432 1.00 15.00 C ATOM 201 OE1 GLN A 247 13.780 1.550 -4.307 1.00 15.00 O ATOM 202 NE2 GLN A 247 13.292 0.860 -2.233 1.00 15.00 N ATOM 0 H GLN A 247 11.002 3.768 -4.337 1.00 15.00 H new ATOM 0 HA GLN A 247 12.620 2.454 -6.198 1.00 15.00 H new ATOM 0 HB2 GLN A 247 9.953 1.436 -5.157 1.00 15.00 H new ATOM 0 HB3 GLN A 247 11.391 0.506 -5.528 1.00 15.00 H new ATOM 0 HG2 GLN A 247 11.205 2.515 -3.263 1.00 15.00 H new ATOM 0 HG3 GLN A 247 10.908 0.798 -3.078 1.00 15.00 H new ATOM 0 HE21 GLN A 247 12.572 0.666 -1.537 1.00 15.00 H new ATOM 0 HE22 GLN A 247 14.275 0.714 -2.004 1.00 15.00 H new ATOM 211 N GLY A 248 9.889 3.598 -7.452 1.00 15.00 N ATOM 212 CA GLY A 248 9.125 3.740 -8.679 1.00 15.00 C ATOM 213 C GLY A 248 7.838 2.946 -8.645 1.00 15.00 C ATOM 214 O GLY A 248 7.421 2.374 -9.651 1.00 15.00 O ATOM 0 H GLY A 248 9.676 4.293 -6.736 1.00 15.00 H new ATOM 0 HA2 GLY A 248 8.896 4.793 -8.843 1.00 15.00 H new ATOM 0 HA3 GLY A 248 9.731 3.410 -9.523 1.00 15.00 H new ATOM 218 N GLN A 249 7.208 2.909 -7.480 1.00 15.00 N ATOM 219 CA GLN A 249 6.019 2.093 -7.280 1.00 15.00 C ATOM 220 C GLN A 249 5.096 2.701 -6.246 1.00 15.00 C ATOM 221 O GLN A 249 5.538 3.323 -5.276 1.00 15.00 O ATOM 222 CB GLN A 249 6.417 0.691 -6.820 1.00 15.00 C ATOM 223 CG GLN A 249 7.775 0.675 -6.172 1.00 15.00 C ATOM 224 CD GLN A 249 8.259 -0.700 -5.786 1.00 15.00 C ATOM 225 OE1 GLN A 249 8.863 -1.409 -6.590 1.00 15.00 O ATOM 226 NE2 GLN A 249 8.042 -1.067 -4.537 1.00 15.00 N ATOM 0 H GLN A 249 7.501 3.436 -6.657 1.00 15.00 H new ATOM 0 HA GLN A 249 5.493 2.043 -8.233 1.00 15.00 H new ATOM 0 HB2 GLN A 249 5.675 0.316 -6.115 1.00 15.00 H new ATOM 0 HB3 GLN A 249 6.415 0.015 -7.675 1.00 15.00 H new ATOM 0 HG2 GLN A 249 8.496 1.124 -6.855 1.00 15.00 H new ATOM 0 HG3 GLN A 249 7.747 1.302 -5.281 1.00 15.00 H new ATOM 0 HE21 GLN A 249 7.536 -0.447 -3.904 1.00 15.00 H new ATOM 0 HE22 GLN A 249 8.380 -1.970 -4.205 1.00 15.00 H new ATOM 235 N VAL A 250 3.817 2.487 -6.462 1.00 15.00 N ATOM 236 CA VAL A 250 2.805 2.791 -5.466 1.00 15.00 C ATOM 237 C VAL A 250 2.406 1.497 -4.778 1.00 15.00 C ATOM 238 O VAL A 250 2.164 0.484 -5.438 1.00 15.00 O ATOM 239 CB VAL A 250 1.546 3.471 -6.063 1.00 15.00 C ATOM 240 CG1 VAL A 250 1.869 4.878 -6.534 1.00 15.00 C ATOM 241 CG2 VAL A 250 0.963 2.654 -7.206 1.00 15.00 C ATOM 0 H VAL A 250 3.447 2.099 -7.329 1.00 15.00 H new ATOM 0 HA VAL A 250 3.236 3.502 -4.761 1.00 15.00 H new ATOM 0 HB VAL A 250 0.797 3.528 -5.273 1.00 15.00 H new ATOM 0 HG11 VAL A 250 0.972 5.337 -6.949 1.00 15.00 H new ATOM 0 HG12 VAL A 250 2.224 5.471 -5.691 1.00 15.00 H new ATOM 0 HG13 VAL A 250 2.643 4.836 -7.300 1.00 15.00 H new ATOM 0 HG21 VAL A 250 0.082 3.159 -7.602 1.00 15.00 H new ATOM 0 HG22 VAL A 250 1.707 2.550 -7.996 1.00 15.00 H new ATOM 0 HG23 VAL A 250 0.682 1.666 -6.841 1.00 15.00 H new ATOM 251 N TYR A 251 2.377 1.506 -3.461 1.00 15.00 N ATOM 252 CA TYR A 251 2.110 0.291 -2.723 1.00 15.00 C ATOM 253 C TYR A 251 1.153 0.568 -1.575 1.00 15.00 C ATOM 254 O TYR A 251 1.257 1.593 -0.894 1.00 15.00 O ATOM 255 CB TYR A 251 3.449 -0.339 -2.288 1.00 15.00 C ATOM 256 CG TYR A 251 4.267 0.387 -1.223 1.00 15.00 C ATOM 257 CD1 TYR A 251 3.804 0.546 0.082 1.00 15.00 C ATOM 258 CD2 TYR A 251 5.544 0.861 -1.519 1.00 15.00 C ATOM 259 CE1 TYR A 251 4.584 1.156 1.043 1.00 15.00 C ATOM 260 CE2 TYR A 251 6.327 1.458 -0.558 1.00 15.00 C ATOM 261 CZ TYR A 251 5.845 1.604 0.720 1.00 15.00 C ATOM 262 OH TYR A 251 6.630 2.195 1.679 1.00 15.00 O ATOM 0 H TYR A 251 2.534 2.333 -2.885 1.00 15.00 H new ATOM 0 HA TYR A 251 1.605 -0.442 -3.352 1.00 15.00 H new ATOM 0 HB2 TYR A 251 3.242 -1.345 -1.923 1.00 15.00 H new ATOM 0 HB3 TYR A 251 4.073 -0.444 -3.175 1.00 15.00 H new ATOM 0 HD1 TYR A 251 2.820 0.186 0.345 1.00 15.00 H new ATOM 0 HD2 TYR A 251 5.927 0.757 -2.524 1.00 15.00 H new ATOM 0 HE1 TYR A 251 4.206 1.282 2.047 1.00 15.00 H new ATOM 0 HE2 TYR A 251 7.317 1.811 -0.808 1.00 15.00 H new ATOM 0 HH TYR A 251 7.551 2.264 1.351 1.00 15.00 H new ATOM 272 N PHE A 252 0.203 -0.334 -1.385 1.00 15.00 N ATOM 273 CA PHE A 252 -0.862 -0.115 -0.428 1.00 15.00 C ATOM 274 C PHE A 252 -0.571 -0.753 0.911 1.00 15.00 C ATOM 275 O PHE A 252 -0.529 -1.978 1.047 1.00 15.00 O ATOM 276 CB PHE A 252 -2.196 -0.604 -0.987 1.00 15.00 C ATOM 277 CG PHE A 252 -2.713 0.309 -2.063 1.00 15.00 C ATOM 278 CD1 PHE A 252 -2.968 1.643 -1.782 1.00 15.00 C ATOM 279 CD2 PHE A 252 -2.910 -0.144 -3.360 1.00 15.00 C ATOM 280 CE1 PHE A 252 -3.404 2.503 -2.769 1.00 15.00 C ATOM 281 CE2 PHE A 252 -3.355 0.714 -4.346 1.00 15.00 C ATOM 282 CZ PHE A 252 -3.598 2.039 -4.052 1.00 15.00 C ATOM 0 H PHE A 252 0.150 -1.223 -1.882 1.00 15.00 H new ATOM 0 HA PHE A 252 -0.927 0.960 -0.258 1.00 15.00 H new ATOM 0 HB2 PHE A 252 -2.076 -1.610 -1.389 1.00 15.00 H new ATOM 0 HB3 PHE A 252 -2.927 -0.668 -0.181 1.00 15.00 H new ATOM 0 HD1 PHE A 252 -2.823 2.013 -0.778 1.00 15.00 H new ATOM 0 HD2 PHE A 252 -2.713 -1.178 -3.601 1.00 15.00 H new ATOM 0 HE1 PHE A 252 -3.593 3.540 -2.536 1.00 15.00 H new ATOM 0 HE2 PHE A 252 -3.513 0.347 -5.349 1.00 15.00 H new ATOM 0 HZ PHE A 252 -3.939 2.711 -4.825 1.00 15.00 H new ATOM 292 N LEU A 253 -0.342 0.106 1.880 1.00 15.00 N ATOM 293 CA LEU A 253 -0.208 -0.293 3.259 1.00 15.00 C ATOM 294 C LEU A 253 -1.555 -0.198 3.957 1.00 15.00 C ATOM 295 O LEU A 253 -2.360 0.681 3.668 1.00 15.00 O ATOM 296 CB LEU A 253 0.769 0.629 3.986 1.00 15.00 C ATOM 297 CG LEU A 253 2.256 0.400 3.759 1.00 15.00 C ATOM 298 CD1 LEU A 253 3.024 1.576 4.335 1.00 15.00 C ATOM 299 CD2 LEU A 253 2.715 -0.896 4.407 1.00 15.00 C ATOM 0 H LEU A 253 -0.243 1.110 1.729 1.00 15.00 H new ATOM 0 HA LEU A 253 0.161 -1.318 3.282 1.00 15.00 H new ATOM 0 HB2 LEU A 253 0.540 1.655 3.699 1.00 15.00 H new ATOM 0 HB3 LEU A 253 0.576 0.547 5.056 1.00 15.00 H new ATOM 0 HG LEU A 253 2.446 0.319 2.689 1.00 15.00 H new ATOM 0 HD11 LEU A 253 4.092 1.425 4.179 1.00 15.00 H new ATOM 0 HD12 LEU A 253 2.711 2.494 3.837 1.00 15.00 H new ATOM 0 HD13 LEU A 253 2.821 1.655 5.403 1.00 15.00 H new ATOM 0 HD21 LEU A 253 3.781 -1.034 4.229 1.00 15.00 H new ATOM 0 HD22 LEU A 253 2.529 -0.852 5.480 1.00 15.00 H new ATOM 0 HD23 LEU A 253 2.164 -1.733 3.977 1.00 15.00 H new ATOM 311 N HIS A 254 -1.792 -1.109 4.861 1.00 15.00 N ATOM 312 CA HIS A 254 -2.858 -0.967 5.838 1.00 15.00 C ATOM 313 C HIS A 254 -2.365 -1.553 7.123 1.00 15.00 C ATOM 314 O HIS A 254 -2.507 -2.762 7.341 1.00 15.00 O ATOM 315 CB HIS A 254 -4.154 -1.692 5.414 1.00 15.00 C ATOM 316 CG HIS A 254 -5.234 -1.718 6.468 1.00 15.00 C ATOM 317 ND1 HIS A 254 -5.508 -2.828 7.239 1.00 15.00 N ATOM 318 CD2 HIS A 254 -6.095 -0.762 6.887 1.00 15.00 C ATOM 319 CE1 HIS A 254 -6.477 -2.554 8.090 1.00 15.00 C ATOM 320 NE2 HIS A 254 -6.855 -1.305 7.893 1.00 15.00 N ATOM 0 H HIS A 254 -1.257 -1.973 4.948 1.00 15.00 H new ATOM 0 HA HIS A 254 -3.105 0.090 5.935 1.00 15.00 H new ATOM 0 HB2 HIS A 254 -4.549 -1.209 4.520 1.00 15.00 H new ATOM 0 HB3 HIS A 254 -3.908 -2.718 5.140 1.00 15.00 H new ATOM 0 HD2 HIS A 254 -6.170 0.244 6.501 1.00 15.00 H new ATOM 0 HE1 HIS A 254 -6.890 -3.233 8.821 1.00 15.00 H new ATOM 0 HE2 HIS A 254 -7.593 -0.821 8.405 1.00 15.00 H new ATOM 329 N THR A 255 -1.732 -0.772 7.974 1.00 15.00 N ATOM 330 CA THR A 255 -1.258 -1.407 9.160 1.00 15.00 C ATOM 331 C THR A 255 -2.299 -1.310 10.253 1.00 15.00 C ATOM 332 O THR A 255 -2.348 -0.364 11.038 1.00 15.00 O ATOM 333 CB THR A 255 0.068 -0.791 9.641 1.00 15.00 C ATOM 334 OG1 THR A 255 0.984 -0.691 8.540 1.00 15.00 O ATOM 335 CG2 THR A 255 0.690 -1.637 10.743 1.00 15.00 C ATOM 0 H THR A 255 -1.549 0.226 7.873 1.00 15.00 H new ATOM 0 HA THR A 255 -1.075 -2.456 8.925 1.00 15.00 H new ATOM 0 HB THR A 255 -0.139 0.202 10.039 1.00 15.00 H new ATOM 0 HG1 THR A 255 1.826 -0.297 8.850 1.00 15.00 H new ATOM 0 HG21 THR A 255 1.626 -1.182 11.067 1.00 15.00 H new ATOM 0 HG22 THR A 255 0.004 -1.696 11.588 1.00 15.00 H new ATOM 0 HG23 THR A 255 0.886 -2.640 10.365 1.00 15.00 H new ATOM 343 N GLN A 256 -3.164 -2.300 10.222 1.00 15.00 N ATOM 344 CA GLN A 256 -3.767 -2.890 11.383 1.00 15.00 C ATOM 345 C GLN A 256 -3.017 -4.182 11.626 1.00 15.00 C ATOM 346 O GLN A 256 -2.477 -4.442 12.696 1.00 15.00 O ATOM 347 CB GLN A 256 -5.256 -3.160 11.147 1.00 15.00 C ATOM 348 CG GLN A 256 -5.939 -3.864 12.306 1.00 15.00 C ATOM 349 CD GLN A 256 -7.407 -4.140 12.050 1.00 15.00 C ATOM 350 OE1 GLN A 256 -7.945 -5.143 12.510 1.00 15.00 O ATOM 351 NE2 GLN A 256 -8.071 -3.238 11.345 1.00 15.00 N ATOM 0 H GLN A 256 -3.475 -2.728 9.350 1.00 15.00 H new ATOM 0 HA GLN A 256 -3.706 -2.225 12.245 1.00 15.00 H new ATOM 0 HB2 GLN A 256 -5.763 -2.213 10.959 1.00 15.00 H new ATOM 0 HB3 GLN A 256 -5.368 -3.766 10.248 1.00 15.00 H new ATOM 0 HG2 GLN A 256 -5.427 -4.806 12.504 1.00 15.00 H new ATOM 0 HG3 GLN A 256 -5.841 -3.253 13.203 1.00 15.00 H new ATOM 0 HE21 GLN A 256 -7.586 -2.418 10.980 1.00 15.00 H new ATOM 0 HE22 GLN A 256 -9.067 -3.363 11.166 1.00 15.00 H new ATOM 360 N THR A 257 -2.983 -4.969 10.548 1.00 15.00 N ATOM 361 CA THR A 257 -2.393 -6.289 10.539 1.00 15.00 C ATOM 362 C THR A 257 -1.026 -6.300 9.947 1.00 15.00 C ATOM 363 O THR A 257 -0.221 -7.225 10.058 1.00 15.00 O ATOM 364 CB THR A 257 -3.321 -7.315 9.867 1.00 15.00 C ATOM 365 OG1 THR A 257 -3.499 -6.969 8.487 1.00 15.00 O ATOM 366 CG2 THR A 257 -4.686 -7.328 10.546 1.00 15.00 C ATOM 0 H THR A 257 -3.374 -4.693 9.647 1.00 15.00 H new ATOM 0 HA THR A 257 -2.275 -6.589 11.580 1.00 15.00 H new ATOM 0 HB THR A 257 -2.865 -8.301 9.955 1.00 15.00 H new ATOM 0 HG1 THR A 257 -4.089 -7.624 8.059 1.00 15.00 H new ATOM 0 HG21 THR A 257 -5.329 -8.060 10.057 1.00 15.00 H new ATOM 0 HG22 THR A 257 -4.567 -7.594 11.596 1.00 15.00 H new ATOM 0 HG23 THR A 257 -5.139 -6.340 10.471 1.00 15.00 H new ATOM 374 N GLY A 258 -0.843 -5.222 9.361 1.00 15.00 N ATOM 375 CA GLY A 258 0.317 -4.939 8.535 1.00 15.00 C ATOM 376 C GLY A 258 0.151 -5.404 7.096 1.00 15.00 C ATOM 377 O GLY A 258 0.743 -6.400 6.686 1.00 15.00 O ATOM 0 H GLY A 258 -1.501 -4.444 9.416 1.00 15.00 H new ATOM 0 HA2 GLY A 258 0.509 -3.866 8.544 1.00 15.00 H new ATOM 0 HA3 GLY A 258 1.192 -5.424 8.969 1.00 15.00 H new ATOM 381 N VAL A 259 -0.670 -4.691 6.334 1.00 15.00 N ATOM 382 CA VAL A 259 -0.814 -4.964 4.897 1.00 15.00 C ATOM 383 C VAL A 259 0.180 -4.168 4.062 1.00 15.00 C ATOM 384 O VAL A 259 0.405 -2.987 4.306 1.00 15.00 O ATOM 385 CB VAL A 259 -2.239 -4.639 4.368 1.00 15.00 C ATOM 386 CG1 VAL A 259 -2.306 -4.746 2.848 1.00 15.00 C ATOM 387 CG2 VAL A 259 -3.249 -5.576 4.981 1.00 15.00 C ATOM 0 H VAL A 259 -1.246 -3.923 6.678 1.00 15.00 H new ATOM 0 HA VAL A 259 -0.621 -6.032 4.793 1.00 15.00 H new ATOM 0 HB VAL A 259 -2.470 -3.613 4.653 1.00 15.00 H new ATOM 0 HG11 VAL A 259 -3.316 -4.513 2.511 1.00 15.00 H new ATOM 0 HG12 VAL A 259 -1.603 -4.042 2.402 1.00 15.00 H new ATOM 0 HG13 VAL A 259 -2.047 -5.760 2.543 1.00 15.00 H new ATOM 0 HG21 VAL A 259 -4.243 -5.338 4.602 1.00 15.00 H new ATOM 0 HG22 VAL A 259 -2.998 -6.604 4.719 1.00 15.00 H new ATOM 0 HG23 VAL A 259 -3.238 -5.465 6.065 1.00 15.00 H new ATOM 397 N SER A 260 0.763 -4.852 3.091 1.00 15.00 N ATOM 398 CA SER A 260 1.561 -4.228 2.036 1.00 15.00 C ATOM 399 C SER A 260 1.360 -5.009 0.744 1.00 15.00 C ATOM 400 O SER A 260 1.930 -6.086 0.567 1.00 15.00 O ATOM 401 CB SER A 260 3.053 -4.180 2.394 1.00 15.00 C ATOM 402 OG SER A 260 3.468 -5.392 3.003 1.00 15.00 O ATOM 0 H SER A 260 0.698 -5.867 3.008 1.00 15.00 H new ATOM 0 HA SER A 260 1.227 -3.197 1.915 1.00 15.00 H new ATOM 0 HB2 SER A 260 3.641 -4.001 1.494 1.00 15.00 H new ATOM 0 HB3 SER A 260 3.242 -3.346 3.070 1.00 15.00 H new ATOM 0 HG SER A 260 3.145 -6.151 2.474 1.00 15.00 H new ATOM 408 N THR A 261 0.510 -4.498 -0.130 1.00 15.00 N ATOM 409 CA THR A 261 0.116 -5.237 -1.321 1.00 15.00 C ATOM 410 C THR A 261 0.195 -4.385 -2.579 1.00 15.00 C ATOM 411 O THR A 261 0.022 -3.163 -2.525 1.00 15.00 O ATOM 412 CB THR A 261 -1.317 -5.789 -1.180 1.00 15.00 C ATOM 413 OG1 THR A 261 -2.208 -4.746 -0.760 1.00 15.00 O ATOM 414 CG2 THR A 261 -1.370 -6.935 -0.183 1.00 15.00 C ATOM 0 H THR A 261 0.080 -3.578 -0.040 1.00 15.00 H new ATOM 0 HA THR A 261 0.822 -6.062 -1.417 1.00 15.00 H new ATOM 0 HB THR A 261 -1.628 -6.165 -2.155 1.00 15.00 H new ATOM 0 HG1 THR A 261 -2.705 -4.409 -1.534 1.00 15.00 H new ATOM 0 HG21 THR A 261 -2.393 -7.303 -0.105 1.00 15.00 H new ATOM 0 HG22 THR A 261 -0.719 -7.741 -0.521 1.00 15.00 H new ATOM 0 HG23 THR A 261 -1.036 -6.584 0.793 1.00 15.00 H new ATOM 422 N TRP A 262 0.464 -5.039 -3.704 1.00 15.00 N ATOM 423 CA TRP A 262 0.452 -4.380 -5.001 1.00 15.00 C ATOM 424 C TRP A 262 -0.975 -4.075 -5.436 1.00 15.00 C ATOM 425 O TRP A 262 -1.217 -3.130 -6.187 1.00 15.00 O ATOM 426 CB TRP A 262 1.108 -5.250 -6.075 1.00 15.00 C ATOM 427 CG TRP A 262 2.597 -5.344 -5.997 1.00 15.00 C ATOM 428 CD1 TRP A 262 3.339 -6.459 -5.763 1.00 15.00 C ATOM 429 CD2 TRP A 262 3.532 -4.290 -6.070 1.00 15.00 C ATOM 430 NE1 TRP A 262 4.648 -6.200 -5.830 1.00 15.00 N ATOM 431 CE2 TRP A 262 4.805 -4.887 -5.982 1.00 15.00 C ATOM 432 CE3 TRP A 262 3.447 -2.910 -6.229 1.00 15.00 C ATOM 433 CZ2 TRP A 262 5.950 -4.181 -6.035 1.00 15.00 C ATOM 434 CZ3 TRP A 262 4.622 -2.202 -6.234 1.00 15.00 C ATOM 435 CH2 TRP A 262 5.842 -2.864 -6.139 1.00 15.00 C ATOM 0 H TRP A 262 0.694 -6.032 -3.741 1.00 15.00 H new ATOM 0 HA TRP A 262 1.016 -3.454 -4.893 1.00 15.00 H new ATOM 0 HB2 TRP A 262 0.693 -6.256 -6.009 1.00 15.00 H new ATOM 0 HB3 TRP A 262 0.836 -4.857 -7.054 1.00 15.00 H new ATOM 0 HD1 TRP A 262 2.922 -7.432 -5.550 1.00 15.00 H new ATOM 0 HE1 TRP A 262 5.398 -6.889 -5.774 1.00 15.00 H new ATOM 0 HE3 TRP A 262 2.494 -2.416 -6.344 1.00 15.00 H new ATOM 0 HZ2 TRP A 262 6.914 -4.666 -5.995 1.00 15.00 H new ATOM 0 HZ3 TRP A 262 4.600 -1.125 -6.312 1.00 15.00 H new ATOM 0 HH2 TRP A 262 6.747 -2.275 -6.151 1.00 15.00 H new ATOM 446 N HIS A 263 -1.914 -4.907 -5.003 1.00 15.00 N ATOM 447 CA HIS A 263 -3.303 -4.735 -5.402 1.00 15.00 C ATOM 448 C HIS A 263 -3.946 -3.612 -4.601 1.00 15.00 C ATOM 449 O HIS A 263 -3.849 -3.573 -3.370 1.00 15.00 O ATOM 450 CB HIS A 263 -4.108 -6.050 -5.259 1.00 15.00 C ATOM 451 CG HIS A 263 -4.746 -6.286 -3.914 1.00 15.00 C ATOM 452 ND1 HIS A 263 -6.044 -5.909 -3.619 1.00 15.00 N ATOM 453 CD2 HIS A 263 -4.268 -6.877 -2.792 1.00 15.00 C ATOM 454 CE1 HIS A 263 -6.329 -6.256 -2.377 1.00 15.00 C ATOM 455 NE2 HIS A 263 -5.271 -6.844 -1.854 1.00 15.00 N ATOM 0 H HIS A 263 -1.741 -5.698 -4.383 1.00 15.00 H new ATOM 0 HA HIS A 263 -3.317 -4.464 -6.458 1.00 15.00 H new ATOM 0 HB2 HIS A 263 -4.890 -6.059 -6.018 1.00 15.00 H new ATOM 0 HB3 HIS A 263 -3.443 -6.886 -5.476 1.00 15.00 H new ATOM 0 HD1 HIS A 263 -6.681 -5.437 -4.260 1.00 15.00 H new ATOM 0 HD2 HIS A 263 -3.281 -7.296 -2.660 1.00 15.00 H new ATOM 0 HE1 HIS A 263 -7.270 -6.087 -1.875 1.00 15.00 H new ATOM 464 N ASP A 264 -4.576 -2.696 -5.311 1.00 15.00 N ATOM 465 CA ASP A 264 -5.381 -1.659 -4.688 1.00 15.00 C ATOM 466 C ASP A 264 -6.488 -2.327 -3.876 1.00 15.00 C ATOM 467 O ASP A 264 -7.168 -3.215 -4.369 1.00 15.00 O ATOM 468 CB ASP A 264 -5.952 -0.743 -5.778 1.00 15.00 C ATOM 469 CG ASP A 264 -6.711 0.450 -5.241 1.00 15.00 C ATOM 470 OD1 ASP A 264 -7.679 0.246 -4.487 1.00 15.00 O1- ATOM 471 OD2 ASP A 264 -6.340 1.597 -5.581 1.00 15.00 O ATOM 0 H ASP A 264 -4.546 -2.648 -6.329 1.00 15.00 H new ATOM 0 HA ASP A 264 -4.780 -1.046 -4.016 1.00 15.00 H new ATOM 0 HB2 ASP A 264 -5.134 -0.388 -6.406 1.00 15.00 H new ATOM 0 HB3 ASP A 264 -6.615 -1.325 -6.417 1.00 15.00 H new ATOM 476 N PRO A 265 -6.661 -1.957 -2.608 1.00 15.00 N ATOM 477 CA PRO A 265 -7.631 -2.606 -1.738 1.00 15.00 C ATOM 478 C PRO A 265 -9.058 -2.224 -2.048 1.00 15.00 C ATOM 479 O PRO A 265 -10.002 -2.854 -1.567 1.00 15.00 O ATOM 480 CB PRO A 265 -7.244 -2.152 -0.335 1.00 15.00 C ATOM 481 CG PRO A 265 -5.960 -1.402 -0.488 1.00 15.00 C ATOM 482 CD PRO A 265 -5.929 -0.909 -1.900 1.00 15.00 C ATOM 0 HA PRO A 265 -7.604 -3.688 -1.865 1.00 15.00 H new ATOM 0 HB2 PRO A 265 -8.018 -1.518 0.098 1.00 15.00 H new ATOM 0 HB3 PRO A 265 -7.121 -3.005 0.332 1.00 15.00 H new ATOM 0 HG2 PRO A 265 -5.909 -0.571 0.215 1.00 15.00 H new ATOM 0 HG3 PRO A 265 -5.106 -2.047 -0.282 1.00 15.00 H new ATOM 0 HD2 PRO A 265 -6.410 0.064 -2.002 1.00 15.00 H new ATOM 0 HD3 PRO A 265 -4.910 -0.802 -2.272 1.00 15.00 H new ATOM 490 N ARG A 266 -9.221 -1.175 -2.816 1.00 15.00 N ATOM 491 CA ARG A 266 -10.525 -0.808 -3.299 1.00 15.00 C ATOM 492 C ARG A 266 -10.880 -1.735 -4.442 1.00 15.00 C ATOM 493 O ARG A 266 -12.020 -1.786 -4.904 1.00 15.00 O ATOM 494 CB ARG A 266 -10.510 0.632 -3.763 1.00 15.00 C ATOM 495 CG ARG A 266 -11.893 1.229 -3.958 1.00 15.00 C ATOM 496 CD ARG A 266 -12.620 1.434 -2.642 1.00 15.00 C ATOM 497 NE ARG A 266 -12.727 2.850 -2.297 1.00 15.00 N ATOM 498 CZ ARG A 266 -13.583 3.336 -1.400 1.00 15.00 C ATOM 499 NH1 ARG A 266 -14.394 2.523 -0.731 1.00 15.00 N1+ ATOM 500 NH2 ARG A 266 -13.632 4.641 -1.174 1.00 15.00 N ATOM 0 H ARG A 266 -8.465 -0.561 -3.119 1.00 15.00 H new ATOM 0 HA ARG A 266 -11.269 -0.900 -2.508 1.00 15.00 H new ATOM 0 HB2 ARG A 266 -9.965 1.233 -3.035 1.00 15.00 H new ATOM 0 HB3 ARG A 266 -9.962 0.695 -4.703 1.00 15.00 H new ATOM 0 HG2 ARG A 266 -11.805 2.185 -4.475 1.00 15.00 H new ATOM 0 HG3 ARG A 266 -12.483 0.573 -4.599 1.00 15.00 H new ATOM 0 HD2 ARG A 266 -13.617 0.999 -2.706 1.00 15.00 H new ATOM 0 HD3 ARG A 266 -12.092 0.905 -1.849 1.00 15.00 H new ATOM 0 HE ARG A 266 -12.108 3.507 -2.773 1.00 15.00 H new ATOM 0 HH11 ARG A 266 -14.364 1.518 -0.903 1.00 15.00 H new ATOM 0 HH12 ARG A 266 -15.046 2.904 -0.046 1.00 15.00 H new ATOM 0 HH21 ARG A 266 -13.015 5.271 -1.687 1.00 15.00 H new ATOM 0 HH22 ARG A 266 -14.287 5.015 -0.487 1.00 15.00 H new ATOM 514 N ILE A 267 -9.875 -2.469 -4.886 1.00 15.00 N ATOM 515 CA ILE A 267 -10.055 -3.466 -5.940 1.00 15.00 C ATOM 516 C ILE A 267 -9.576 -4.846 -5.478 1.00 15.00 C ATOM 517 O ILE A 267 -10.370 -5.544 -4.813 1.00 15.00 O ATOM 518 CB ILE A 267 -9.387 -3.066 -7.290 1.00 15.00 C ATOM 519 CG1 ILE A 267 -7.885 -2.762 -7.149 1.00 15.00 C ATOM 520 CG2 ILE A 267 -10.106 -1.866 -7.887 1.00 15.00 C ATOM 521 CD1 ILE A 267 -7.205 -2.454 -8.468 1.00 15.00 C ATOM 522 OXT ILE A 267 -8.429 -5.239 -5.771 1.00 15.00 O ATOM 0 H ILE A 267 -8.920 -2.397 -4.535 1.00 15.00 H new ATOM 0 HA ILE A 267 -11.127 -3.513 -6.134 1.00 15.00 H new ATOM 0 HB ILE A 267 -9.475 -3.925 -7.955 1.00 15.00 H new ATOM 0 HG12 ILE A 267 -7.755 -1.915 -6.476 1.00 15.00 H new ATOM 0 HG13 ILE A 267 -7.391 -3.616 -6.685 1.00 15.00 H new ATOM 0 HG21 ILE A 267 -9.634 -1.591 -8.830 1.00 15.00 H new ATOM 0 HG22 ILE A 267 -11.151 -2.119 -8.064 1.00 15.00 H new ATOM 0 HG23 ILE A 267 -10.049 -1.026 -7.195 1.00 15.00 H new ATOM 0 HD11 ILE A 267 -6.149 -2.249 -8.294 1.00 15.00 H new ATOM 0 HD12 ILE A 267 -7.304 -3.309 -9.137 1.00 15.00 H new ATOM 0 HD13 ILE A 267 -7.673 -1.581 -8.924 1.00 15.00 H new TER 534 ILE A 267 ATOM 535 N SER B 210 7.921 2.326 12.657 1.00 15.00 N ATOM 536 CA SER B 210 7.564 3.492 11.820 1.00 15.00 C ATOM 537 C SER B 210 8.038 3.294 10.382 1.00 15.00 C ATOM 538 O SER B 210 7.772 4.124 9.512 1.00 15.00 O ATOM 539 CB SER B 210 8.179 4.766 12.408 1.00 15.00 C ATOM 540 OG SER B 210 9.587 4.646 12.538 1.00 15.00 O ATOM 0 HA SER B 210 6.478 3.590 11.811 1.00 15.00 H new ATOM 0 HB2 SER B 210 7.942 5.616 11.768 1.00 15.00 H new ATOM 0 HB3 SER B 210 7.737 4.969 13.384 1.00 15.00 H new ATOM 0 HG SER B 210 9.826 3.702 12.648 1.00 15.00 H new ATOM 548 N ASP B 211 8.746 2.197 10.133 1.00 15.00 N ATOM 549 CA ASP B 211 9.239 1.902 8.795 1.00 15.00 C ATOM 550 C ASP B 211 8.403 0.807 8.155 1.00 15.00 C ATOM 551 O ASP B 211 8.299 -0.302 8.685 1.00 15.00 O ATOM 552 CB ASP B 211 10.714 1.489 8.823 1.00 15.00 C ATOM 553 CG ASP B 211 11.618 2.598 9.317 1.00 15.00 C ATOM 554 OD1 ASP B 211 11.665 3.666 8.670 1.00 15.00 O ATOM 555 OD2 ASP B 211 12.283 2.407 10.357 1.00 15.00 O1- ATOM 0 H ASP B 211 8.990 1.501 10.838 1.00 15.00 H new ATOM 0 HA ASP B 211 9.154 2.811 8.200 1.00 15.00 H new ATOM 0 HB2 ASP B 211 10.831 0.616 9.465 1.00 15.00 H new ATOM 0 HB3 ASP B 211 11.024 1.192 7.821 1.00 15.00 H new ATOM 560 N PRO B 212 7.785 1.116 7.013 1.00 15.00 N ATOM 561 CA PRO B 212 6.945 0.185 6.264 1.00 15.00 C ATOM 562 C PRO B 212 7.744 -0.620 5.248 1.00 15.00 C ATOM 563 O PRO B 212 8.761 -0.158 4.730 1.00 15.00 O ATOM 564 CB PRO B 212 5.976 1.122 5.520 1.00 15.00 C ATOM 565 CG PRO B 212 6.354 2.509 5.929 1.00 15.00 C ATOM 566 CD PRO B 212 7.777 2.428 6.383 1.00 15.00 C ATOM 0 HA PRO B 212 6.465 -0.547 6.914 1.00 15.00 H new ATOM 0 HB2 PRO B 212 6.062 0.996 4.441 1.00 15.00 H new ATOM 0 HB3 PRO B 212 4.941 0.905 5.785 1.00 15.00 H new ATOM 0 HG2 PRO B 212 6.248 3.204 5.096 1.00 15.00 H new ATOM 0 HG3 PRO B 212 5.708 2.870 6.730 1.00 15.00 H new ATOM 0 HD2 PRO B 212 8.480 2.493 5.553 1.00 15.00 H new ATOM 0 HD3 PRO B 212 8.034 3.224 7.082 1.00 15.00 H new ATOM 574 N GLY B 213 7.261 -1.816 4.955 1.00 15.00 N ATOM 575 CA GLY B 213 7.913 -2.656 3.980 1.00 15.00 C ATOM 576 C GLY B 213 7.376 -2.414 2.589 1.00 15.00 C ATOM 577 O GLY B 213 6.162 -2.362 2.383 1.00 15.00 O ATOM 0 H GLY B 213 6.425 -2.220 5.378 1.00 15.00 H new ATOM 0 HA2 GLY B 213 8.986 -2.466 3.994 1.00 15.00 H new ATOM 0 HA3 GLY B 213 7.771 -3.703 4.248 1.00 15.00 H new HETATM 581 N SEP B 214 8.279 -2.253 1.644 1.00 15.00 N HETATM 582 CA SEP B 214 7.914 -1.995 0.266 1.00 15.00 C HETATM 583 CB SEP B 214 8.969 -1.097 -0.396 1.00 15.00 C HETATM 584 OG SEP B 214 9.846 -0.537 0.571 1.00 15.00 O HETATM 585 C SEP B 214 7.756 -3.316 -0.499 1.00 15.00 C HETATM 586 O SEP B 214 8.276 -4.354 -0.090 1.00 15.00 O HETATM 587 P SEP B 214 10.331 1.017 0.573 1.00 15.00 P HETATM 588 O1P SEP B 214 10.980 1.313 -0.709 1.00 15.00 O HETATM 589 O2P SEP B 214 11.287 1.209 1.673 1.00 15.00 O HETATM 590 O3P SEP B 214 9.164 1.888 0.751 1.00 15.00 O HETATM 0 HB3 SEP B 214 9.543 -1.677 -1.119 1.00 15.00 H new HETATM 0 HB2 SEP B 214 8.475 -0.298 -0.949 1.00 15.00 H new HETATM 0 HA SEP B 214 6.956 -1.475 0.241 1.00 15.00 H new HETATM 0 H SEP B 214 9.134 -1.851 2.029 1.00 15.00 H new ATOM 595 N PRO B 215 7.050 -3.273 -1.633 1.00 15.00 N ATOM 596 CA PRO B 215 6.760 -4.442 -2.459 1.00 15.00 C ATOM 597 C PRO B 215 7.863 -4.687 -3.483 1.00 15.00 C ATOM 598 O PRO B 215 8.374 -3.741 -4.082 1.00 15.00 O ATOM 599 CB PRO B 215 5.530 -4.014 -3.262 1.00 15.00 C ATOM 600 CG PRO B 215 5.132 -2.699 -2.735 1.00 15.00 C ATOM 601 CD PRO B 215 6.353 -2.107 -2.109 1.00 15.00 C ATOM 0 HA PRO B 215 6.645 -5.336 -1.846 1.00 15.00 H new ATOM 0 HB2 PRO B 215 5.761 -3.953 -4.325 1.00 15.00 H new ATOM 0 HB3 PRO B 215 4.722 -4.738 -3.152 1.00 15.00 H new ATOM 0 HG2 PRO B 215 4.756 -2.059 -3.533 1.00 15.00 H new ATOM 0 HG3 PRO B 215 4.331 -2.800 -2.003 1.00 15.00 H new ATOM 0 HD2 PRO B 215 6.947 -1.544 -2.829 1.00 15.00 H new ATOM 0 HD3 PRO B 215 6.103 -1.423 -1.298 1.00 15.00 H new ATOM 609 N PHE B 216 8.240 -5.938 -3.682 1.00 15.00 N ATOM 610 CA PHE B 216 9.256 -6.261 -4.675 1.00 15.00 C ATOM 611 C PHE B 216 8.726 -7.264 -5.692 1.00 15.00 C ATOM 612 O PHE B 216 9.278 -7.408 -6.785 1.00 15.00 O ATOM 613 CB PHE B 216 10.520 -6.799 -3.998 1.00 15.00 C ATOM 614 CG PHE B 216 11.153 -5.813 -3.058 1.00 15.00 C ATOM 615 CD1 PHE B 216 11.928 -4.774 -3.546 1.00 15.00 C ATOM 616 CD2 PHE B 216 10.965 -5.918 -1.690 1.00 15.00 C ATOM 617 CE1 PHE B 216 12.503 -3.857 -2.688 1.00 15.00 C ATOM 618 CE2 PHE B 216 11.539 -5.006 -0.825 1.00 15.00 C ATOM 619 CZ PHE B 216 12.308 -3.973 -1.325 1.00 15.00 C ATOM 0 H PHE B 216 7.864 -6.741 -3.177 1.00 15.00 H new ATOM 0 HA PHE B 216 9.512 -5.344 -5.206 1.00 15.00 H new ATOM 0 HB2 PHE B 216 10.272 -7.707 -3.449 1.00 15.00 H new ATOM 0 HB3 PHE B 216 11.244 -7.078 -4.764 1.00 15.00 H new ATOM 0 HD1 PHE B 216 12.085 -4.680 -4.610 1.00 15.00 H new ATOM 0 HD2 PHE B 216 10.363 -6.722 -1.294 1.00 15.00 H new ATOM 0 HE1 PHE B 216 13.104 -3.051 -3.082 1.00 15.00 H new ATOM 0 HE2 PHE B 216 11.387 -5.101 0.240 1.00 15.00 H new ATOM 0 HZ PHE B 216 12.756 -3.257 -0.652 1.00 15.00 H new ATOM 629 N GLN B 217 7.665 -7.969 -5.316 1.00 15.00 N ATOM 630 CA GLN B 217 7.012 -8.930 -6.194 1.00 15.00 C ATOM 631 C GLN B 217 5.678 -9.356 -5.592 1.00 15.00 C ATOM 632 O GLN B 217 5.642 -9.653 -4.380 1.00 15.00 O ATOM 633 CB GLN B 217 7.906 -10.152 -6.443 1.00 15.00 C ATOM 634 CG GLN B 217 8.399 -10.835 -5.178 1.00 15.00 C ATOM 635 CD GLN B 217 9.183 -12.095 -5.472 1.00 15.00 C ATOM 636 OE1 GLN B 217 8.620 -13.185 -5.553 1.00 15.00 O ATOM 637 NE2 GLN B 217 10.487 -11.958 -5.640 1.00 15.00 N ATOM 638 OXT GLN B 217 4.671 -9.379 -6.326 1.00 15.00 O ATOM 0 H GLN B 217 7.234 -7.890 -4.395 1.00 15.00 H new ATOM 0 HA GLN B 217 6.832 -8.451 -7.156 1.00 15.00 H new ATOM 0 HB2 GLN B 217 7.353 -10.876 -7.041 1.00 15.00 H new ATOM 0 HB3 GLN B 217 8.768 -9.843 -7.034 1.00 15.00 H new ATOM 0 HG2 GLN B 217 9.026 -10.143 -4.615 1.00 15.00 H new ATOM 0 HG3 GLN B 217 7.546 -11.080 -4.545 1.00 15.00 H new ATOM 0 HE21 GLN B 217 10.917 -11.036 -5.565 1.00 15.00 H new ATOM 0 HE22 GLN B 217 11.063 -12.774 -5.845 1.00 15.00 H new TER 647 GLN B 217