USER MOD reduce.3.24.130724 H: found=0, std=0, add=301, rem=0, adj=12 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 261 THR OG1 : rot -140:sc= 0.692 USER MOD Set 1.2: A 263 HIS :FLIP no HD1:sc= 0.43 F(o=-1.6,f=1.1) USER MOD Set 2.1: A 254 HIS :FLIP no HE2:sc= -0.682 F(o=-1.6,f=-0.68) USER MOD Set 2.2: A 256 GLN : amide:sc= 0 K(o=-0.68,f=-1.3) USER MOD Set 3.1: A 247 GLN : amide:sc= -3.49! C(o=-4.6!,f=-9.6!) USER MOD Set 3.2: A 249 GLN :FLIP amide:sc= -1.13 F(o=-11!,f=-4.6) USER MOD Single : A 240 TYR OH : rot 180:sc= 0 USER MOD Single : A 242 GLN : amide:sc= -0.387 X(o=-0.39,f=-0.088) USER MOD Single : A 244 THR OG1 : rot 46:sc= 0.438 USER MOD Single : A 245 THR OG1 : rot -134:sc= 1.19 USER MOD Single : A 251 TYR OH : rot 150:sc= -0.159 USER MOD Single : A 255 THR OG1 : rot 180:sc= 0 USER MOD Single : A 257 THR OG1 : rot 180:sc= 0 USER MOD Single : A 260 SER OG : rot 180:sc= 0 USER MOD Single : B 210 SER OG : rot 25:sc= 0.167 USER MOD Single : B 217 GLN : amide:sc= -0.0103 X(o=-0.01,f=-0.086) USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 235 -10.712 6.025 -4.980 1.00 15.00 N ATOM 2 CA GLU A 235 -10.604 6.305 -3.533 1.00 15.00 C ATOM 3 C GLU A 235 -10.676 5.000 -2.758 1.00 15.00 C ATOM 4 O GLU A 235 -11.577 4.193 -2.975 1.00 15.00 O ATOM 5 CB GLU A 235 -11.727 7.247 -3.071 1.00 15.00 C ATOM 6 CG GLU A 235 -11.708 8.623 -3.729 1.00 15.00 C ATOM 7 CD GLU A 235 -12.168 8.595 -5.174 1.00 15.00 C ATOM 8 OE1 GLU A 235 -11.329 8.338 -6.063 1.00 15.00 O ATOM 9 OE2 GLU A 235 -13.372 8.810 -5.419 1.00 15.00 O1- ATOM 0 HA GLU A 235 -9.648 6.794 -3.344 1.00 15.00 H new ATOM 0 HB2 GLU A 235 -12.688 6.774 -3.275 1.00 15.00 H new ATOM 0 HB3 GLU A 235 -11.657 7.374 -1.991 1.00 15.00 H new ATOM 0 HG2 GLU A 235 -12.348 9.299 -3.163 1.00 15.00 H new ATOM 0 HG3 GLU A 235 -10.697 9.028 -3.683 1.00 15.00 H new ATOM 18 N LEU A 236 -9.744 4.797 -1.839 1.00 15.00 N ATOM 19 CA LEU A 236 -9.690 3.549 -1.091 1.00 15.00 C ATOM 20 C LEU A 236 -10.536 3.677 0.165 1.00 15.00 C ATOM 21 O LEU A 236 -11.002 4.767 0.503 1.00 15.00 O ATOM 22 CB LEU A 236 -8.253 3.175 -0.655 1.00 15.00 C ATOM 23 CG LEU A 236 -7.091 3.603 -1.557 1.00 15.00 C ATOM 24 CD1 LEU A 236 -7.363 3.283 -3.014 1.00 15.00 C ATOM 25 CD2 LEU A 236 -6.793 5.073 -1.359 1.00 15.00 C ATOM 0 H LEU A 236 -9.021 5.473 -1.594 1.00 15.00 H new ATOM 0 HA LEU A 236 -10.063 2.769 -1.754 1.00 15.00 H new ATOM 0 HB2 LEU A 236 -8.083 3.602 0.333 1.00 15.00 H new ATOM 0 HB3 LEU A 236 -8.209 2.091 -0.546 1.00 15.00 H new ATOM 0 HG LEU A 236 -6.209 3.030 -1.270 1.00 15.00 H new ATOM 0 HD11 LEU A 236 -6.516 3.602 -3.621 1.00 15.00 H new ATOM 0 HD12 LEU A 236 -7.508 2.209 -3.130 1.00 15.00 H new ATOM 0 HD13 LEU A 236 -8.261 3.808 -3.340 1.00 15.00 H new ATOM 0 HD21 LEU A 236 -5.965 5.367 -2.005 1.00 15.00 H new ATOM 0 HD22 LEU A 236 -7.676 5.660 -1.611 1.00 15.00 H new ATOM 0 HD23 LEU A 236 -6.523 5.252 -0.318 1.00 15.00 H new ATOM 37 N PRO A 237 -10.747 2.560 0.870 1.00 15.00 N ATOM 38 CA PRO A 237 -11.281 2.588 2.226 1.00 15.00 C ATOM 39 C PRO A 237 -10.248 3.168 3.175 1.00 15.00 C ATOM 40 O PRO A 237 -9.050 3.175 2.883 1.00 15.00 O ATOM 41 CB PRO A 237 -11.555 1.110 2.547 1.00 15.00 C ATOM 42 CG PRO A 237 -11.474 0.390 1.239 1.00 15.00 C ATOM 43 CD PRO A 237 -10.542 1.193 0.381 1.00 15.00 C ATOM 0 HA PRO A 237 -12.175 3.204 2.325 1.00 15.00 H new ATOM 0 HB2 PRO A 237 -10.823 0.721 3.254 1.00 15.00 H new ATOM 0 HB3 PRO A 237 -12.537 0.984 3.003 1.00 15.00 H new ATOM 0 HG2 PRO A 237 -11.102 -0.625 1.375 1.00 15.00 H new ATOM 0 HG3 PRO A 237 -12.458 0.309 0.777 1.00 15.00 H new ATOM 0 HD2 PRO A 237 -9.507 0.872 0.498 1.00 15.00 H new ATOM 0 HD3 PRO A 237 -10.786 1.101 -0.677 1.00 15.00 H new ATOM 51 N GLU A 238 -10.715 3.647 4.302 1.00 15.00 N ATOM 52 CA GLU A 238 -9.856 4.346 5.245 1.00 15.00 C ATOM 53 C GLU A 238 -8.870 3.394 5.913 1.00 15.00 C ATOM 54 O GLU A 238 -9.160 2.216 6.135 1.00 15.00 O ATOM 55 CB GLU A 238 -10.689 5.074 6.307 1.00 15.00 C ATOM 56 CG GLU A 238 -11.785 4.230 6.941 1.00 15.00 C ATOM 57 CD GLU A 238 -13.056 4.199 6.113 1.00 15.00 C ATOM 58 OE1 GLU A 238 -13.903 5.099 6.283 1.00 15.00 O1- ATOM 59 OE2 GLU A 238 -13.205 3.284 5.274 1.00 15.00 O ATOM 0 H GLU A 238 -11.689 3.568 4.595 1.00 15.00 H new ATOM 0 HA GLU A 238 -9.286 5.084 4.680 1.00 15.00 H new ATOM 0 HB2 GLU A 238 -10.022 5.429 7.092 1.00 15.00 H new ATOM 0 HB3 GLU A 238 -11.144 5.954 5.853 1.00 15.00 H new ATOM 0 HG2 GLU A 238 -11.420 3.212 7.077 1.00 15.00 H new ATOM 0 HG3 GLU A 238 -12.012 4.622 7.932 1.00 15.00 H new ATOM 66 N GLY A 239 -7.711 3.935 6.255 1.00 15.00 N ATOM 67 CA GLY A 239 -6.668 3.153 6.876 1.00 15.00 C ATOM 68 C GLY A 239 -5.584 2.724 5.901 1.00 15.00 C ATOM 69 O GLY A 239 -4.552 2.195 6.318 1.00 15.00 O ATOM 0 H GLY A 239 -7.474 4.916 6.110 1.00 15.00 H new ATOM 0 HA2 GLY A 239 -6.216 3.734 7.680 1.00 15.00 H new ATOM 0 HA3 GLY A 239 -7.109 2.267 7.332 1.00 15.00 H new ATOM 73 N TYR A 240 -5.803 2.943 4.609 1.00 15.00 N ATOM 74 CA TYR A 240 -4.792 2.615 3.607 1.00 15.00 C ATOM 75 C TYR A 240 -4.039 3.867 3.186 1.00 15.00 C ATOM 76 O TYR A 240 -4.645 4.840 2.738 1.00 15.00 O ATOM 77 CB TYR A 240 -5.411 1.999 2.341 1.00 15.00 C ATOM 78 CG TYR A 240 -6.153 0.706 2.562 1.00 15.00 C ATOM 79 CD1 TYR A 240 -5.474 -0.480 2.774 1.00 15.00 C ATOM 80 CD2 TYR A 240 -7.533 0.678 2.553 1.00 15.00 C ATOM 81 CE1 TYR A 240 -6.158 -1.662 2.984 1.00 15.00 C ATOM 82 CE2 TYR A 240 -8.226 -0.492 2.763 1.00 15.00 C ATOM 83 CZ TYR A 240 -7.533 -1.662 2.980 1.00 15.00 C ATOM 84 OH TYR A 240 -8.215 -2.835 3.195 1.00 15.00 O ATOM 0 H TYR A 240 -6.663 3.342 4.232 1.00 15.00 H new ATOM 0 HA TYR A 240 -4.122 1.891 4.070 1.00 15.00 H new ATOM 0 HB2 TYR A 240 -6.096 2.723 1.900 1.00 15.00 H new ATOM 0 HB3 TYR A 240 -4.618 1.826 1.614 1.00 15.00 H new ATOM 0 HD1 TYR A 240 -4.394 -0.482 2.775 1.00 15.00 H new ATOM 0 HD2 TYR A 240 -8.080 1.593 2.378 1.00 15.00 H new ATOM 0 HE1 TYR A 240 -5.616 -2.581 3.150 1.00 15.00 H new ATOM 0 HE2 TYR A 240 -9.306 -0.493 2.758 1.00 15.00 H new ATOM 0 HH TYR A 240 -9.179 -2.664 3.162 1.00 15.00 H new ATOM 94 N GLU A 241 -2.728 3.840 3.322 1.00 15.00 N ATOM 95 CA GLU A 241 -1.894 4.881 2.756 1.00 15.00 C ATOM 96 C GLU A 241 -1.116 4.306 1.579 1.00 15.00 C ATOM 97 O GLU A 241 -0.457 3.273 1.696 1.00 15.00 O ATOM 98 CB GLU A 241 -0.942 5.481 3.804 1.00 15.00 C ATOM 99 CG GLU A 241 0.060 4.498 4.391 1.00 15.00 C ATOM 100 CD GLU A 241 1.103 5.183 5.250 1.00 15.00 C ATOM 101 OE1 GLU A 241 2.077 5.730 4.688 1.00 15.00 O ATOM 102 OE2 GLU A 241 0.955 5.185 6.486 1.00 15.00 O1- ATOM 0 H GLU A 241 -2.218 3.110 3.819 1.00 15.00 H new ATOM 0 HA GLU A 241 -2.533 5.694 2.411 1.00 15.00 H new ATOM 0 HB2 GLU A 241 -0.396 6.307 3.348 1.00 15.00 H new ATOM 0 HB3 GLU A 241 -1.536 5.901 4.616 1.00 15.00 H new ATOM 0 HG2 GLU A 241 -0.470 3.756 4.989 1.00 15.00 H new ATOM 0 HG3 GLU A 241 0.555 3.961 3.582 1.00 15.00 H new ATOM 109 N GLN A 242 -1.215 4.955 0.438 1.00 15.00 N ATOM 110 CA GLN A 242 -0.481 4.521 -0.737 1.00 15.00 C ATOM 111 C GLN A 242 0.867 5.216 -0.742 1.00 15.00 C ATOM 112 O GLN A 242 0.944 6.427 -0.939 1.00 15.00 O ATOM 113 CB GLN A 242 -1.283 4.839 -2.007 1.00 15.00 C ATOM 114 CG GLN A 242 -0.714 4.251 -3.292 1.00 15.00 C ATOM 115 CD GLN A 242 0.246 5.186 -4.004 1.00 15.00 C ATOM 116 OE1 GLN A 242 -0.170 6.020 -4.805 1.00 15.00 O ATOM 117 NE2 GLN A 242 1.533 5.030 -3.749 1.00 15.00 N ATOM 0 H GLN A 242 -1.794 5.783 0.297 1.00 15.00 H new ATOM 0 HA GLN A 242 -0.325 3.442 -0.713 1.00 15.00 H new ATOM 0 HB2 GLN A 242 -2.301 4.472 -1.877 1.00 15.00 H new ATOM 0 HB3 GLN A 242 -1.346 5.922 -2.117 1.00 15.00 H new ATOM 0 HG2 GLN A 242 -0.198 3.319 -3.060 1.00 15.00 H new ATOM 0 HG3 GLN A 242 -1.535 4.002 -3.965 1.00 15.00 H new ATOM 0 HE21 GLN A 242 1.838 4.326 -3.077 1.00 15.00 H new ATOM 0 HE22 GLN A 242 2.221 5.614 -4.224 1.00 15.00 H new ATOM 126 N ARG A 243 1.926 4.465 -0.480 1.00 15.00 N ATOM 127 CA ARG A 243 3.228 5.077 -0.316 1.00 15.00 C ATOM 128 C ARG A 243 3.996 5.172 -1.601 1.00 15.00 C ATOM 129 O ARG A 243 4.034 4.247 -2.411 1.00 15.00 O ATOM 130 CB ARG A 243 4.069 4.383 0.744 1.00 15.00 C ATOM 131 CG ARG A 243 3.824 4.978 2.096 1.00 15.00 C ATOM 132 CD ARG A 243 4.753 4.424 3.157 1.00 15.00 C ATOM 133 NE ARG A 243 6.147 4.394 2.719 1.00 15.00 N ATOM 134 CZ ARG A 243 7.127 5.087 3.295 1.00 15.00 C ATOM 135 NH1 ARG A 243 6.861 5.913 4.299 1.00 15.00 N1+ ATOM 136 NH2 ARG A 243 8.375 4.944 2.865 1.00 15.00 N ATOM 0 H ARG A 243 1.908 3.450 -0.379 1.00 15.00 H new ATOM 0 HA ARG A 243 3.022 6.092 0.024 1.00 15.00 H new ATOM 0 HB2 ARG A 243 3.832 3.319 0.762 1.00 15.00 H new ATOM 0 HB3 ARG A 243 5.125 4.470 0.490 1.00 15.00 H new ATOM 0 HG2 ARG A 243 3.947 6.060 2.040 1.00 15.00 H new ATOM 0 HG3 ARG A 243 2.791 4.790 2.389 1.00 15.00 H new ATOM 0 HD2 ARG A 243 4.672 5.030 4.059 1.00 15.00 H new ATOM 0 HD3 ARG A 243 4.437 3.415 3.422 1.00 15.00 H new ATOM 0 HE ARG A 243 6.384 3.805 1.921 1.00 15.00 H new ATOM 0 HH11 ARG A 243 5.903 6.019 4.632 1.00 15.00 H new ATOM 0 HH12 ARG A 243 7.615 6.442 4.738 1.00 15.00 H new ATOM 0 HH21 ARG A 243 8.580 4.305 2.096 1.00 15.00 H new ATOM 0 HH22 ARG A 243 9.129 5.473 3.303 1.00 15.00 H new ATOM 150 N THR A 244 4.633 6.310 -1.732 1.00 15.00 N ATOM 151 CA THR A 244 5.462 6.620 -2.879 1.00 15.00 C ATOM 152 C THR A 244 6.927 6.532 -2.481 1.00 15.00 C ATOM 153 O THR A 244 7.512 7.497 -1.985 1.00 15.00 O ATOM 154 CB THR A 244 5.146 8.025 -3.427 1.00 15.00 C ATOM 155 OG1 THR A 244 5.185 8.984 -2.359 1.00 15.00 O ATOM 156 CG2 THR A 244 3.775 8.051 -4.091 1.00 15.00 C ATOM 0 H THR A 244 4.592 7.058 -1.039 1.00 15.00 H new ATOM 0 HA THR A 244 5.252 5.897 -3.667 1.00 15.00 H new ATOM 0 HB THR A 244 5.898 8.280 -4.174 1.00 15.00 H new ATOM 0 HG1 THR A 244 5.984 8.833 -1.812 1.00 15.00 H new ATOM 0 HG21 THR A 244 3.573 9.053 -4.470 1.00 15.00 H new ATOM 0 HG22 THR A 244 3.757 7.340 -4.917 1.00 15.00 H new ATOM 0 HG23 THR A 244 3.012 7.779 -3.361 1.00 15.00 H new ATOM 164 N THR A 245 7.494 5.356 -2.650 1.00 15.00 N ATOM 165 CA THR A 245 8.858 5.095 -2.242 1.00 15.00 C ATOM 166 C THR A 245 9.777 5.071 -3.460 1.00 15.00 C ATOM 167 O THR A 245 9.331 4.771 -4.568 1.00 15.00 O ATOM 168 CB THR A 245 8.973 3.785 -1.431 1.00 15.00 C ATOM 169 OG1 THR A 245 10.327 3.579 -1.003 1.00 15.00 O ATOM 170 CG2 THR A 245 8.497 2.599 -2.244 1.00 15.00 C ATOM 0 H THR A 245 7.024 4.556 -3.073 1.00 15.00 H new ATOM 0 HA THR A 245 9.173 5.905 -1.584 1.00 15.00 H new ATOM 0 HB THR A 245 8.334 3.876 -0.552 1.00 15.00 H new ATOM 0 HG1 THR A 245 10.587 2.650 -1.176 1.00 15.00 H new ATOM 0 HG21 THR A 245 8.589 1.690 -1.650 1.00 15.00 H new ATOM 0 HG22 THR A 245 7.454 2.745 -2.525 1.00 15.00 H new ATOM 0 HG23 THR A 245 9.105 2.507 -3.144 1.00 15.00 H new ATOM 178 N VAL A 246 11.040 5.445 -3.239 1.00 15.00 N ATOM 179 CA VAL A 246 12.041 5.640 -4.300 1.00 15.00 C ATOM 180 C VAL A 246 12.032 4.535 -5.370 1.00 15.00 C ATOM 181 O VAL A 246 12.409 4.785 -6.515 1.00 15.00 O ATOM 182 CB VAL A 246 13.459 5.745 -3.686 1.00 15.00 C ATOM 183 CG1 VAL A 246 14.500 6.071 -4.751 1.00 15.00 C ATOM 184 CG2 VAL A 246 13.482 6.788 -2.576 1.00 15.00 C ATOM 0 H VAL A 246 11.405 5.625 -2.304 1.00 15.00 H new ATOM 0 HA VAL A 246 11.769 6.569 -4.800 1.00 15.00 H new ATOM 0 HB VAL A 246 13.713 4.775 -3.258 1.00 15.00 H new ATOM 0 HG11 VAL A 246 15.485 6.138 -4.289 1.00 15.00 H new ATOM 0 HG12 VAL A 246 14.506 5.285 -5.506 1.00 15.00 H new ATOM 0 HG13 VAL A 246 14.254 7.023 -5.221 1.00 15.00 H new ATOM 0 HG21 VAL A 246 14.486 6.849 -2.155 1.00 15.00 H new ATOM 0 HG22 VAL A 246 13.199 7.759 -2.983 1.00 15.00 H new ATOM 0 HG23 VAL A 246 12.778 6.503 -1.794 1.00 15.00 H new ATOM 194 N GLN A 247 11.597 3.328 -5.006 1.00 15.00 N ATOM 195 CA GLN A 247 11.502 2.218 -5.961 1.00 15.00 C ATOM 196 C GLN A 247 10.629 2.585 -7.172 1.00 15.00 C ATOM 197 O GLN A 247 10.739 1.972 -8.236 1.00 15.00 O ATOM 198 CB GLN A 247 10.937 0.969 -5.280 1.00 15.00 C ATOM 199 CG GLN A 247 9.501 1.127 -4.827 1.00 15.00 C ATOM 200 CD GLN A 247 8.848 -0.184 -4.439 1.00 15.00 C ATOM 201 OE1 GLN A 247 7.636 -0.336 -4.549 1.00 15.00 O ATOM 202 NE2 GLN A 247 9.637 -1.137 -3.984 1.00 15.00 N ATOM 0 H GLN A 247 11.305 3.092 -4.058 1.00 15.00 H new ATOM 0 HA GLN A 247 12.511 2.011 -6.317 1.00 15.00 H new ATOM 0 HB2 GLN A 247 11.002 0.128 -5.970 1.00 15.00 H new ATOM 0 HB3 GLN A 247 11.557 0.723 -4.418 1.00 15.00 H new ATOM 0 HG2 GLN A 247 9.468 1.807 -3.976 1.00 15.00 H new ATOM 0 HG3 GLN A 247 8.924 1.590 -5.627 1.00 15.00 H new ATOM 0 HE21 GLN A 247 10.641 -0.974 -3.906 1.00 15.00 H new ATOM 0 HE22 GLN A 247 9.244 -2.037 -3.710 1.00 15.00 H new ATOM 211 N GLY A 248 9.744 3.564 -6.986 1.00 15.00 N ATOM 212 CA GLY A 248 8.921 4.059 -8.075 1.00 15.00 C ATOM 213 C GLY A 248 7.716 3.181 -8.359 1.00 15.00 C ATOM 214 O GLY A 248 7.395 2.916 -9.521 1.00 15.00 O ATOM 0 H GLY A 248 9.583 4.026 -6.091 1.00 15.00 H new ATOM 0 HA2 GLY A 248 8.580 5.066 -7.836 1.00 15.00 H new ATOM 0 HA3 GLY A 248 9.529 4.134 -8.977 1.00 15.00 H new ATOM 218 N GLN A 249 7.040 2.728 -7.307 1.00 15.00 N ATOM 219 CA GLN A 249 5.879 1.854 -7.459 1.00 15.00 C ATOM 220 C GLN A 249 4.815 2.214 -6.430 1.00 15.00 C ATOM 221 O GLN A 249 5.135 2.630 -5.316 1.00 15.00 O ATOM 222 CB GLN A 249 6.274 0.384 -7.281 1.00 15.00 C ATOM 223 CG GLN A 249 7.519 -0.018 -8.044 1.00 15.00 C ATOM 224 CD GLN A 249 7.840 -1.495 -7.949 1.00 15.00 C ATOM 225 OE1 GLN A 249 8.631 -1.860 -6.953 1.00 15.00 O flip ATOM 226 NE2 GLN A 249 7.387 -2.297 -8.766 1.00 15.00 N flip ATOM 0 H GLN A 249 7.275 2.951 -6.340 1.00 15.00 H new ATOM 0 HA GLN A 249 5.482 1.994 -8.464 1.00 15.00 H new ATOM 0 HB2 GLN A 249 6.431 0.187 -6.221 1.00 15.00 H new ATOM 0 HB3 GLN A 249 5.444 -0.246 -7.603 1.00 15.00 H new ATOM 0 HG2 GLN A 249 7.395 0.251 -9.093 1.00 15.00 H new ATOM 0 HG3 GLN A 249 8.367 0.554 -7.667 1.00 15.00 H new ATOM 0 HE21 GLN A 249 6.780 -1.971 -9.518 1.00 15.00 H new ATOM 0 HE22 GLN A 249 7.618 -3.288 -8.690 1.00 15.00 H new ATOM 235 N VAL A 250 3.557 2.018 -6.793 1.00 15.00 N ATOM 236 CA VAL A 250 2.450 2.299 -5.890 1.00 15.00 C ATOM 237 C VAL A 250 2.106 1.062 -5.057 1.00 15.00 C ATOM 238 O VAL A 250 1.679 0.038 -5.586 1.00 15.00 O ATOM 239 CB VAL A 250 1.193 2.789 -6.654 1.00 15.00 C ATOM 240 CG1 VAL A 250 1.431 4.169 -7.246 1.00 15.00 C ATOM 241 CG2 VAL A 250 0.792 1.808 -7.750 1.00 15.00 C ATOM 0 H VAL A 250 3.276 1.665 -7.708 1.00 15.00 H new ATOM 0 HA VAL A 250 2.772 3.100 -5.225 1.00 15.00 H new ATOM 0 HB VAL A 250 0.374 2.849 -5.938 1.00 15.00 H new ATOM 0 HG11 VAL A 250 0.538 4.496 -7.778 1.00 15.00 H new ATOM 0 HG12 VAL A 250 1.655 4.874 -6.446 1.00 15.00 H new ATOM 0 HG13 VAL A 250 2.271 4.128 -7.939 1.00 15.00 H new ATOM 0 HG21 VAL A 250 -0.092 2.181 -8.266 1.00 15.00 H new ATOM 0 HG22 VAL A 250 1.611 1.703 -8.462 1.00 15.00 H new ATOM 0 HG23 VAL A 250 0.571 0.837 -7.306 1.00 15.00 H new ATOM 251 N TYR A 251 2.323 1.155 -3.752 1.00 15.00 N ATOM 252 CA TYR A 251 2.059 0.037 -2.857 1.00 15.00 C ATOM 253 C TYR A 251 1.139 0.495 -1.722 1.00 15.00 C ATOM 254 O TYR A 251 1.361 1.548 -1.112 1.00 15.00 O ATOM 255 CB TYR A 251 3.408 -0.543 -2.366 1.00 15.00 C ATOM 256 CG TYR A 251 4.078 0.141 -1.188 1.00 15.00 C ATOM 257 CD1 TYR A 251 3.635 -0.052 0.118 1.00 15.00 C ATOM 258 CD2 TYR A 251 5.207 0.915 -1.384 1.00 15.00 C ATOM 259 CE1 TYR A 251 4.295 0.517 1.183 1.00 15.00 C ATOM 260 CE2 TYR A 251 5.881 1.472 -0.321 1.00 15.00 C ATOM 261 CZ TYR A 251 5.423 1.271 0.959 1.00 15.00 C ATOM 262 OH TYR A 251 6.108 1.807 2.019 1.00 15.00 O ATOM 0 H TYR A 251 2.680 1.991 -3.290 1.00 15.00 H new ATOM 0 HA TYR A 251 1.534 -0.767 -3.373 1.00 15.00 H new ATOM 0 HB2 TYR A 251 3.248 -1.588 -2.102 1.00 15.00 H new ATOM 0 HB3 TYR A 251 4.105 -0.529 -3.204 1.00 15.00 H new ATOM 0 HD1 TYR A 251 2.759 -0.658 0.298 1.00 15.00 H new ATOM 0 HD2 TYR A 251 5.566 1.085 -2.388 1.00 15.00 H new ATOM 0 HE1 TYR A 251 3.929 0.372 2.189 1.00 15.00 H new ATOM 0 HE2 TYR A 251 6.767 2.065 -0.492 1.00 15.00 H new ATOM 0 HH TYR A 251 7.059 1.879 1.792 1.00 15.00 H new ATOM 272 N PHE A 252 0.095 -0.285 -1.464 1.00 15.00 N ATOM 273 CA PHE A 252 -0.919 0.085 -0.483 1.00 15.00 C ATOM 274 C PHE A 252 -0.563 -0.431 0.898 1.00 15.00 C ATOM 275 O PHE A 252 -0.322 -1.624 1.086 1.00 15.00 O ATOM 276 CB PHE A 252 -2.292 -0.448 -0.905 1.00 15.00 C ATOM 277 CG PHE A 252 -2.877 0.314 -2.060 1.00 15.00 C ATOM 278 CD1 PHE A 252 -3.214 1.647 -1.915 1.00 15.00 C ATOM 279 CD2 PHE A 252 -3.064 -0.289 -3.295 1.00 15.00 C ATOM 280 CE1 PHE A 252 -3.733 2.365 -2.973 1.00 15.00 C ATOM 281 CE2 PHE A 252 -3.577 0.425 -4.357 1.00 15.00 C ATOM 282 CZ PHE A 252 -3.913 1.753 -4.197 1.00 15.00 C ATOM 0 H PHE A 252 -0.072 -1.181 -1.922 1.00 15.00 H new ATOM 0 HA PHE A 252 -0.958 1.173 -0.440 1.00 15.00 H new ATOM 0 HB2 PHE A 252 -2.202 -1.500 -1.177 1.00 15.00 H new ATOM 0 HB3 PHE A 252 -2.975 -0.395 -0.057 1.00 15.00 H new ATOM 0 HD1 PHE A 252 -3.069 2.133 -0.961 1.00 15.00 H new ATOM 0 HD2 PHE A 252 -2.805 -1.329 -3.426 1.00 15.00 H new ATOM 0 HE1 PHE A 252 -3.998 3.404 -2.844 1.00 15.00 H new ATOM 0 HE2 PHE A 252 -3.716 -0.056 -5.314 1.00 15.00 H new ATOM 0 HZ PHE A 252 -4.316 2.313 -5.028 1.00 15.00 H new ATOM 292 N LEU A 253 -0.541 0.477 1.861 1.00 15.00 N ATOM 293 CA LEU A 253 -0.169 0.142 3.219 1.00 15.00 C ATOM 294 C LEU A 253 -1.325 0.413 4.180 1.00 15.00 C ATOM 295 O LEU A 253 -1.813 1.532 4.281 1.00 15.00 O ATOM 296 CB LEU A 253 1.048 0.969 3.631 1.00 15.00 C ATOM 297 CG LEU A 253 2.074 0.264 4.519 1.00 15.00 C ATOM 298 CD1 LEU A 253 3.200 1.212 4.847 1.00 15.00 C ATOM 299 CD2 LEU A 253 1.448 -0.258 5.798 1.00 15.00 C ATOM 0 H LEU A 253 -0.779 1.459 1.721 1.00 15.00 H new ATOM 0 HA LEU A 253 0.074 -0.920 3.263 1.00 15.00 H new ATOM 0 HB2 LEU A 253 1.553 1.309 2.727 1.00 15.00 H new ATOM 0 HB3 LEU A 253 0.697 1.859 4.153 1.00 15.00 H new ATOM 0 HG LEU A 253 2.461 -0.593 3.967 1.00 15.00 H new ATOM 0 HD11 LEU A 253 3.929 0.706 5.480 1.00 15.00 H new ATOM 0 HD12 LEU A 253 3.683 1.536 3.925 1.00 15.00 H new ATOM 0 HD13 LEU A 253 2.803 2.080 5.373 1.00 15.00 H new ATOM 0 HD21 LEU A 253 2.210 -0.752 6.401 1.00 15.00 H new ATOM 0 HD22 LEU A 253 1.023 0.573 6.361 1.00 15.00 H new ATOM 0 HD23 LEU A 253 0.661 -0.971 5.553 1.00 15.00 H new ATOM 311 N HIS A 254 -1.756 -0.620 4.874 1.00 15.00 N ATOM 312 CA HIS A 254 -2.739 -0.487 5.940 1.00 15.00 C ATOM 313 C HIS A 254 -2.297 -1.314 7.113 1.00 15.00 C ATOM 314 O HIS A 254 -2.524 -2.526 7.136 1.00 15.00 O ATOM 315 CB HIS A 254 -4.131 -0.952 5.489 1.00 15.00 C ATOM 316 CG HIS A 254 -5.122 -1.177 6.605 1.00 15.00 C ATOM 317 ND1 HIS A 254 -5.717 -0.312 7.462 1.00 15.00 N flip ATOM 318 CD2 HIS A 254 -5.598 -2.430 6.941 1.00 15.00 C flip ATOM 319 CE1 HIS A 254 -6.523 -1.050 8.290 1.00 15.00 C flip ATOM 320 NE2 HIS A 254 -6.437 -2.325 7.959 1.00 15.00 N flip ATOM 0 H HIS A 254 -1.438 -1.577 4.719 1.00 15.00 H new ATOM 0 HA HIS A 254 -2.809 0.566 6.213 1.00 15.00 H new ATOM 0 HB2 HIS A 254 -4.541 -0.210 4.804 1.00 15.00 H new ATOM 0 HB3 HIS A 254 -4.023 -1.880 4.927 1.00 15.00 H new ATOM 0 HD1 HIS A 254 -5.589 0.700 7.486 1.00 15.00 H new ATOM 0 HD2 HIS A 254 -5.327 -3.352 6.449 1.00 15.00 H new ATOM 0 HE1 HIS A 254 -7.132 -0.651 9.087 1.00 15.00 H new ATOM 329 N THR A 255 -1.645 -0.720 8.083 1.00 15.00 N ATOM 330 CA THR A 255 -1.237 -1.549 9.184 1.00 15.00 C ATOM 331 C THR A 255 -2.272 -1.510 10.304 1.00 15.00 C ATOM 332 O THR A 255 -2.257 -0.670 11.201 1.00 15.00 O ATOM 333 CB THR A 255 0.175 -1.172 9.703 1.00 15.00 C ATOM 334 OG1 THR A 255 0.514 -1.983 10.833 1.00 15.00 O ATOM 335 CG2 THR A 255 0.272 0.306 10.069 1.00 15.00 C ATOM 0 H THR A 255 -1.399 0.269 8.134 1.00 15.00 H new ATOM 0 HA THR A 255 -1.174 -2.573 8.817 1.00 15.00 H new ATOM 0 HB THR A 255 0.884 -1.357 8.896 1.00 15.00 H new ATOM 0 HG1 THR A 255 1.408 -1.740 11.154 1.00 15.00 H new ATOM 0 HG21 THR A 255 1.277 0.527 10.428 1.00 15.00 H new ATOM 0 HG22 THR A 255 0.059 0.913 9.189 1.00 15.00 H new ATOM 0 HG23 THR A 255 -0.451 0.535 10.852 1.00 15.00 H new ATOM 343 N GLN A 256 -3.222 -2.415 10.168 1.00 15.00 N ATOM 344 CA GLN A 256 -3.939 -3.003 11.273 1.00 15.00 C ATOM 345 C GLN A 256 -3.325 -4.367 11.497 1.00 15.00 C ATOM 346 O GLN A 256 -2.917 -4.741 12.593 1.00 15.00 O ATOM 347 CB GLN A 256 -5.423 -3.130 10.939 1.00 15.00 C ATOM 348 CG GLN A 256 -6.302 -3.492 12.120 1.00 15.00 C ATOM 349 CD GLN A 256 -7.731 -3.767 11.700 1.00 15.00 C ATOM 350 OE1 GLN A 256 -8.208 -3.227 10.701 1.00 15.00 O ATOM 351 NE2 GLN A 256 -8.426 -4.592 12.462 1.00 15.00 N ATOM 0 H GLN A 256 -3.521 -2.768 9.259 1.00 15.00 H new ATOM 0 HA GLN A 256 -3.865 -2.385 12.168 1.00 15.00 H new ATOM 0 HB2 GLN A 256 -5.770 -2.186 10.519 1.00 15.00 H new ATOM 0 HB3 GLN A 256 -5.545 -3.888 10.165 1.00 15.00 H new ATOM 0 HG2 GLN A 256 -5.895 -4.372 12.619 1.00 15.00 H new ATOM 0 HG3 GLN A 256 -6.287 -2.679 12.846 1.00 15.00 H new ATOM 0 HE21 GLN A 256 -7.992 -5.018 13.281 1.00 15.00 H new ATOM 0 HE22 GLN A 256 -9.397 -4.803 12.232 1.00 15.00 H new ATOM 360 N THR A 257 -3.294 -5.098 10.380 1.00 15.00 N ATOM 361 CA THR A 257 -2.773 -6.450 10.308 1.00 15.00 C ATOM 362 C THR A 257 -1.390 -6.480 9.761 1.00 15.00 C ATOM 363 O THR A 257 -0.636 -7.454 9.806 1.00 15.00 O ATOM 364 CB THR A 257 -3.711 -7.377 9.516 1.00 15.00 C ATOM 365 OG1 THR A 257 -3.807 -6.913 8.161 1.00 15.00 O ATOM 366 CG2 THR A 257 -5.104 -7.391 10.130 1.00 15.00 C ATOM 0 H THR A 257 -3.640 -4.752 9.485 1.00 15.00 H new ATOM 0 HA THR A 257 -2.725 -6.829 11.329 1.00 15.00 H new ATOM 0 HB THR A 257 -3.301 -8.387 9.544 1.00 15.00 H new ATOM 0 HG1 THR A 257 -4.403 -7.504 7.654 1.00 15.00 H new ATOM 0 HG21 THR A 257 -5.749 -8.053 9.553 1.00 15.00 H new ATOM 0 HG22 THR A 257 -5.045 -7.748 11.158 1.00 15.00 H new ATOM 0 HG23 THR A 257 -5.517 -6.382 10.119 1.00 15.00 H new ATOM 374 N GLY A 258 -1.145 -5.376 9.258 1.00 15.00 N ATOM 375 CA GLY A 258 0.023 -5.098 8.445 1.00 15.00 C ATOM 376 C GLY A 258 -0.199 -5.403 6.971 1.00 15.00 C ATOM 377 O GLY A 258 0.307 -6.397 6.454 1.00 15.00 O ATOM 0 H GLY A 258 -1.754 -4.567 9.379 1.00 15.00 H new ATOM 0 HA2 GLY A 258 0.297 -4.049 8.557 1.00 15.00 H new ATOM 0 HA3 GLY A 258 0.864 -5.688 8.811 1.00 15.00 H new ATOM 381 N VAL A 259 -0.979 -4.560 6.301 1.00 15.00 N ATOM 382 CA VAL A 259 -1.167 -4.679 4.853 1.00 15.00 C ATOM 383 C VAL A 259 -0.133 -3.868 4.086 1.00 15.00 C ATOM 384 O VAL A 259 0.055 -2.682 4.335 1.00 15.00 O ATOM 385 CB VAL A 259 -2.584 -4.235 4.389 1.00 15.00 C ATOM 386 CG1 VAL A 259 -2.646 -4.087 2.873 1.00 15.00 C ATOM 387 CG2 VAL A 259 -3.613 -5.247 4.840 1.00 15.00 C ATOM 0 H VAL A 259 -1.490 -3.790 6.732 1.00 15.00 H new ATOM 0 HA VAL A 259 -1.046 -5.740 4.634 1.00 15.00 H new ATOM 0 HB VAL A 259 -2.798 -3.266 4.839 1.00 15.00 H new ATOM 0 HG11 VAL A 259 -3.648 -3.776 2.578 1.00 15.00 H new ATOM 0 HG12 VAL A 259 -1.924 -3.337 2.551 1.00 15.00 H new ATOM 0 HG13 VAL A 259 -2.410 -5.042 2.404 1.00 15.00 H new ATOM 0 HG21 VAL A 259 -4.603 -4.930 4.512 1.00 15.00 H new ATOM 0 HG22 VAL A 259 -3.381 -6.220 4.406 1.00 15.00 H new ATOM 0 HG23 VAL A 259 -3.598 -5.322 5.927 1.00 15.00 H new ATOM 397 N SER A 260 0.519 -4.541 3.161 1.00 15.00 N ATOM 398 CA SER A 260 1.392 -3.908 2.183 1.00 15.00 C ATOM 399 C SER A 260 1.331 -4.717 0.899 1.00 15.00 C ATOM 400 O SER A 260 1.894 -5.807 0.813 1.00 15.00 O ATOM 401 CB SER A 260 2.838 -3.784 2.687 1.00 15.00 C ATOM 402 OG SER A 260 3.222 -4.905 3.471 1.00 15.00 O ATOM 0 H SER A 260 0.460 -5.554 3.062 1.00 15.00 H new ATOM 0 HA SER A 260 1.046 -2.890 2.006 1.00 15.00 H new ATOM 0 HB2 SER A 260 3.512 -3.688 1.836 1.00 15.00 H new ATOM 0 HB3 SER A 260 2.940 -2.874 3.279 1.00 15.00 H new ATOM 0 HG SER A 260 4.148 -4.792 3.772 1.00 15.00 H new ATOM 408 N THR A 261 0.602 -4.206 -0.075 1.00 15.00 N ATOM 409 CA THR A 261 0.273 -4.985 -1.253 1.00 15.00 C ATOM 410 C THR A 261 0.111 -4.094 -2.481 1.00 15.00 C ATOM 411 O THR A 261 -0.226 -2.914 -2.364 1.00 15.00 O ATOM 412 CB THR A 261 -1.013 -5.805 -1.017 1.00 15.00 C ATOM 413 OG1 THR A 261 -1.247 -6.684 -2.118 1.00 15.00 O ATOM 414 CG2 THR A 261 -2.215 -4.896 -0.814 1.00 15.00 C ATOM 0 H THR A 261 0.227 -3.257 -0.074 1.00 15.00 H new ATOM 0 HA THR A 261 1.100 -5.670 -1.439 1.00 15.00 H new ATOM 0 HB THR A 261 -0.874 -6.394 -0.110 1.00 15.00 H new ATOM 0 HG1 THR A 261 -2.205 -6.700 -2.326 1.00 15.00 H new ATOM 0 HG21 THR A 261 -3.106 -5.502 -0.650 1.00 15.00 H new ATOM 0 HG22 THR A 261 -2.046 -4.257 0.053 1.00 15.00 H new ATOM 0 HG23 THR A 261 -2.356 -4.276 -1.699 1.00 15.00 H new ATOM 422 N TRP A 262 0.413 -4.652 -3.647 1.00 15.00 N ATOM 423 CA TRP A 262 0.294 -3.925 -4.903 1.00 15.00 C ATOM 424 C TRP A 262 -1.166 -3.673 -5.268 1.00 15.00 C ATOM 425 O TRP A 262 -1.503 -2.635 -5.843 1.00 15.00 O ATOM 426 CB TRP A 262 0.947 -4.700 -6.044 1.00 15.00 C ATOM 427 CG TRP A 262 2.417 -4.927 -5.889 1.00 15.00 C ATOM 428 CD1 TRP A 262 3.051 -6.105 -5.641 1.00 15.00 C ATOM 429 CD2 TRP A 262 3.440 -3.954 -5.876 1.00 15.00 C ATOM 430 NE1 TRP A 262 4.374 -5.958 -5.632 1.00 15.00 N ATOM 431 CE2 TRP A 262 4.644 -4.662 -5.736 1.00 15.00 C ATOM 432 CE3 TRP A 262 3.488 -2.567 -5.995 1.00 15.00 C ATOM 433 CZ2 TRP A 262 5.840 -4.062 -5.706 1.00 15.00 C ATOM 434 CZ3 TRP A 262 4.725 -1.972 -5.914 1.00 15.00 C ATOM 435 CH2 TRP A 262 5.867 -2.752 -5.770 1.00 15.00 C ATOM 0 H TRP A 262 0.744 -5.612 -3.748 1.00 15.00 H new ATOM 0 HA TRP A 262 0.801 -2.970 -4.762 1.00 15.00 H new ATOM 0 HB2 TRP A 262 0.452 -5.667 -6.137 1.00 15.00 H new ATOM 0 HB3 TRP A 262 0.773 -4.162 -6.976 1.00 15.00 H new ATOM 0 HD1 TRP A 262 2.544 -7.043 -5.472 1.00 15.00 H new ATOM 0 HE1 TRP A 262 5.060 -6.709 -5.558 1.00 15.00 H new ATOM 0 HE3 TRP A 262 2.592 -1.984 -6.145 1.00 15.00 H new ATOM 0 HZ2 TRP A 262 6.751 -4.637 -5.632 1.00 15.00 H new ATOM 0 HZ3 TRP A 262 4.810 -0.896 -5.962 1.00 15.00 H new ATOM 0 HH2 TRP A 262 6.824 -2.255 -5.708 1.00 15.00 H new ATOM 446 N HIS A 263 -2.028 -4.641 -4.972 1.00 15.00 N ATOM 447 CA HIS A 263 -3.425 -4.542 -5.380 1.00 15.00 C ATOM 448 C HIS A 263 -4.172 -3.556 -4.496 1.00 15.00 C ATOM 449 O HIS A 263 -4.092 -3.618 -3.267 1.00 15.00 O ATOM 450 CB HIS A 263 -4.120 -5.923 -5.372 1.00 15.00 C ATOM 451 CG HIS A 263 -4.743 -6.327 -4.062 1.00 15.00 C ATOM 452 ND1 HIS A 263 -4.206 -6.891 -2.954 1.00 15.00 N flip ATOM 453 CD2 HIS A 263 -6.089 -6.171 -3.790 1.00 15.00 C flip ATOM 454 CE1 HIS A 263 -5.221 -7.066 -2.047 1.00 15.00 C flip ATOM 455 NE2 HIS A 263 -6.345 -6.621 -2.576 1.00 15.00 N flip ATOM 0 H HIS A 263 -1.789 -5.490 -4.459 1.00 15.00 H new ATOM 0 HA HIS A 263 -3.445 -4.172 -6.405 1.00 15.00 H new ATOM 0 HB2 HIS A 263 -4.895 -5.925 -6.139 1.00 15.00 H new ATOM 0 HB3 HIS A 263 -3.389 -6.680 -5.656 1.00 15.00 H new ATOM 0 HD2 HIS A 263 -6.817 -5.747 -4.465 1.00 15.00 H new ATOM 0 HE1 HIS A 263 -5.117 -7.497 -1.062 1.00 15.00 H new ATOM 0 HE2 HIS A 263 -7.259 -6.624 -2.123 1.00 15.00 H new ATOM 464 N ASP A 264 -4.879 -2.639 -5.132 1.00 15.00 N ATOM 465 CA ASP A 264 -5.776 -1.742 -4.422 1.00 15.00 C ATOM 466 C ASP A 264 -6.820 -2.575 -3.695 1.00 15.00 C ATOM 467 O ASP A 264 -7.480 -3.407 -4.294 1.00 15.00 O ATOM 468 CB ASP A 264 -6.440 -0.771 -5.413 1.00 15.00 C ATOM 469 CG ASP A 264 -7.322 0.277 -4.756 1.00 15.00 C ATOM 470 OD1 ASP A 264 -7.528 0.213 -3.532 1.00 15.00 O ATOM 471 OD2 ASP A 264 -7.812 1.180 -5.479 1.00 15.00 O1- ATOM 0 H ASP A 264 -4.850 -2.495 -6.141 1.00 15.00 H new ATOM 0 HA ASP A 264 -5.220 -1.150 -3.695 1.00 15.00 H new ATOM 0 HB2 ASP A 264 -5.663 -0.268 -5.988 1.00 15.00 H new ATOM 0 HB3 ASP A 264 -7.040 -1.344 -6.120 1.00 15.00 H new ATOM 476 N PRO A 265 -6.958 -2.406 -2.387 1.00 15.00 N ATOM 477 CA PRO A 265 -7.960 -3.131 -1.619 1.00 15.00 C ATOM 478 C PRO A 265 -9.364 -2.683 -1.959 1.00 15.00 C ATOM 479 O PRO A 265 -10.347 -3.325 -1.593 1.00 15.00 O ATOM 480 CB PRO A 265 -7.613 -2.828 -0.160 1.00 15.00 C ATOM 481 CG PRO A 265 -6.263 -2.186 -0.199 1.00 15.00 C ATOM 482 CD PRO A 265 -6.150 -1.528 -1.541 1.00 15.00 C ATOM 0 HA PRO A 265 -7.946 -4.199 -1.836 1.00 15.00 H new ATOM 0 HB2 PRO A 265 -8.351 -2.164 0.290 1.00 15.00 H new ATOM 0 HB3 PRO A 265 -7.598 -3.739 0.438 1.00 15.00 H new ATOM 0 HG2 PRO A 265 -6.156 -1.455 0.603 1.00 15.00 H new ATOM 0 HG3 PRO A 265 -5.476 -2.927 -0.062 1.00 15.00 H new ATOM 0 HD2 PRO A 265 -6.535 -0.508 -1.528 1.00 15.00 H new ATOM 0 HD3 PRO A 265 -5.116 -1.474 -1.882 1.00 15.00 H new ATOM 490 N ARG A 266 -9.446 -1.554 -2.628 1.00 15.00 N ATOM 491 CA ARG A 266 -10.698 -1.061 -3.146 1.00 15.00 C ATOM 492 C ARG A 266 -11.070 -1.838 -4.392 1.00 15.00 C ATOM 493 O ARG A 266 -12.175 -1.715 -4.921 1.00 15.00 O ATOM 494 CB ARG A 266 -10.544 0.403 -3.478 1.00 15.00 C ATOM 495 CG ARG A 266 -11.854 1.136 -3.656 1.00 15.00 C ATOM 496 CD ARG A 266 -12.700 1.097 -2.397 1.00 15.00 C ATOM 497 NE ARG A 266 -13.928 1.869 -2.548 1.00 15.00 N ATOM 498 CZ ARG A 266 -14.818 2.056 -1.576 1.00 15.00 C ATOM 499 NH1 ARG A 266 -14.647 1.482 -0.388 1.00 15.00 N1+ ATOM 500 NH2 ARG A 266 -15.883 2.815 -1.792 1.00 15.00 N ATOM 0 H ARG A 266 -8.646 -0.954 -2.827 1.00 15.00 H new ATOM 0 HA ARG A 266 -11.486 -1.186 -2.403 1.00 15.00 H new ATOM 0 HB2 ARG A 266 -9.974 0.887 -2.685 1.00 15.00 H new ATOM 0 HB3 ARG A 266 -9.960 0.498 -4.393 1.00 15.00 H new ATOM 0 HG2 ARG A 266 -11.656 2.173 -3.928 1.00 15.00 H new ATOM 0 HG3 ARG A 266 -12.410 0.691 -4.481 1.00 15.00 H new ATOM 0 HD2 ARG A 266 -12.947 0.063 -2.157 1.00 15.00 H new ATOM 0 HD3 ARG A 266 -12.124 1.490 -1.559 1.00 15.00 H new ATOM 0 HE ARG A 266 -14.117 2.293 -3.456 1.00 15.00 H new ATOM 0 HH11 ARG A 266 -13.830 0.895 -0.218 1.00 15.00 H new ATOM 0 HH12 ARG A 266 -15.332 1.629 0.353 1.00 15.00 H new ATOM 0 HH21 ARG A 266 -16.020 3.255 -2.702 1.00 15.00 H new ATOM 0 HH22 ARG A 266 -16.566 2.959 -1.048 1.00 15.00 H new ATOM 514 N ILE A 267 -10.118 -2.623 -4.860 1.00 15.00 N ATOM 515 CA ILE A 267 -10.341 -3.481 -6.024 1.00 15.00 C ATOM 516 C ILE A 267 -10.080 -4.951 -5.689 1.00 15.00 C ATOM 517 O ILE A 267 -8.906 -5.377 -5.641 1.00 15.00 O ATOM 518 CB ILE A 267 -9.539 -3.053 -7.292 1.00 15.00 C ATOM 519 CG1 ILE A 267 -8.021 -2.992 -7.052 1.00 15.00 C ATOM 520 CG2 ILE A 267 -10.040 -1.708 -7.793 1.00 15.00 C ATOM 521 CD1 ILE A 267 -7.218 -2.711 -8.305 1.00 15.00 C ATOM 522 OXT ILE A 267 -11.067 -5.674 -5.449 1.00 15.00 O ATOM 0 H ILE A 267 -9.183 -2.689 -4.458 1.00 15.00 H new ATOM 0 HA ILE A 267 -11.394 -3.355 -6.278 1.00 15.00 H new ATOM 0 HB ILE A 267 -9.708 -3.821 -8.047 1.00 15.00 H new ATOM 0 HG12 ILE A 267 -7.809 -2.218 -6.314 1.00 15.00 H new ATOM 0 HG13 ILE A 267 -7.691 -3.939 -6.624 1.00 15.00 H new ATOM 0 HG21 ILE A 267 -9.475 -1.416 -8.678 1.00 15.00 H new ATOM 0 HG22 ILE A 267 -11.097 -1.785 -8.046 1.00 15.00 H new ATOM 0 HG23 ILE A 267 -9.907 -0.957 -7.014 1.00 15.00 H new ATOM 0 HD11 ILE A 267 -6.157 -2.683 -8.058 1.00 15.00 H new ATOM 0 HD12 ILE A 267 -7.399 -3.498 -9.037 1.00 15.00 H new ATOM 0 HD13 ILE A 267 -7.519 -1.750 -8.722 1.00 15.00 H new TER 534 ILE A 267 ATOM 535 N SER B 210 8.585 1.840 13.032 1.00 15.00 N ATOM 536 CA SER B 210 8.317 3.180 12.467 1.00 15.00 C ATOM 537 C SER B 210 8.682 3.231 10.984 1.00 15.00 C ATOM 538 O SER B 210 8.668 4.299 10.367 1.00 15.00 O ATOM 539 CB SER B 210 9.124 4.225 13.241 1.00 15.00 C ATOM 540 OG SER B 210 8.895 4.110 14.640 1.00 15.00 O ATOM 0 HA SER B 210 7.252 3.394 12.560 1.00 15.00 H new ATOM 0 HB2 SER B 210 10.186 4.099 13.031 1.00 15.00 H new ATOM 0 HB3 SER B 210 8.849 5.225 12.905 1.00 15.00 H new ATOM 0 HG SER B 210 8.611 3.196 14.851 1.00 15.00 H new ATOM 548 N ASP B 211 8.974 2.071 10.404 1.00 15.00 N ATOM 549 CA ASP B 211 9.442 2.001 9.026 1.00 15.00 C ATOM 550 C ASP B 211 8.730 0.887 8.270 1.00 15.00 C ATOM 551 O ASP B 211 8.783 -0.274 8.675 1.00 15.00 O ATOM 552 CB ASP B 211 10.953 1.759 9.009 1.00 15.00 C ATOM 553 CG ASP B 211 11.515 1.622 7.611 1.00 15.00 C ATOM 554 OD1 ASP B 211 11.539 0.490 7.084 1.00 15.00 O1- ATOM 555 OD2 ASP B 211 11.963 2.641 7.044 1.00 15.00 O ATOM 0 H ASP B 211 8.894 1.166 10.868 1.00 15.00 H new ATOM 0 HA ASP B 211 9.219 2.947 8.533 1.00 15.00 H new ATOM 0 HB2 ASP B 211 11.453 2.584 9.516 1.00 15.00 H new ATOM 0 HB3 ASP B 211 11.177 0.855 9.575 1.00 15.00 H new ATOM 560 N PRO B 212 8.025 1.224 7.183 1.00 15.00 N ATOM 561 CA PRO B 212 7.363 0.245 6.339 1.00 15.00 C ATOM 562 C PRO B 212 8.228 -0.199 5.162 1.00 15.00 C ATOM 563 O PRO B 212 8.940 0.608 4.562 1.00 15.00 O ATOM 564 CB PRO B 212 6.146 1.008 5.839 1.00 15.00 C ATOM 565 CG PRO B 212 6.506 2.461 5.893 1.00 15.00 C ATOM 566 CD PRO B 212 7.785 2.589 6.694 1.00 15.00 C ATOM 0 HA PRO B 212 7.132 -0.674 6.878 1.00 15.00 H new ATOM 0 HB2 PRO B 212 5.891 0.709 4.822 1.00 15.00 H new ATOM 0 HB3 PRO B 212 5.275 0.800 6.461 1.00 15.00 H new ATOM 0 HG2 PRO B 212 6.643 2.859 4.887 1.00 15.00 H new ATOM 0 HG3 PRO B 212 5.705 3.037 6.357 1.00 15.00 H new ATOM 0 HD2 PRO B 212 8.610 2.945 6.077 1.00 15.00 H new ATOM 0 HD3 PRO B 212 7.674 3.296 7.516 1.00 15.00 H new ATOM 574 N GLY B 213 8.128 -1.469 4.806 1.00 15.00 N ATOM 575 CA GLY B 213 8.901 -1.981 3.697 1.00 15.00 C ATOM 576 C GLY B 213 8.158 -1.850 2.386 1.00 15.00 C ATOM 577 O GLY B 213 6.926 -1.793 2.363 1.00 15.00 O ATOM 0 H GLY B 213 7.526 -2.153 5.264 1.00 15.00 H new ATOM 0 HA2 GLY B 213 9.847 -1.443 3.634 1.00 15.00 H new ATOM 0 HA3 GLY B 213 9.142 -3.029 3.875 1.00 15.00 H new HETATM 581 N SEP B 214 8.902 -1.780 1.297 1.00 15.00 N HETATM 582 CA SEP B 214 8.315 -1.681 -0.026 1.00 15.00 C HETATM 583 CB SEP B 214 9.204 -0.840 -0.953 1.00 15.00 C HETATM 584 OG SEP B 214 10.585 -1.051 -0.713 1.00 15.00 O HETATM 585 C SEP B 214 8.079 -3.067 -0.630 1.00 15.00 C HETATM 586 O SEP B 214 8.695 -4.052 -0.219 1.00 15.00 O HETATM 587 P SEP B 214 11.751 -0.179 -1.441 1.00 15.00 P HETATM 588 O1P SEP B 214 11.920 -0.655 -2.815 1.00 15.00 O HETATM 589 O2P SEP B 214 12.999 -0.348 -0.689 1.00 15.00 O HETATM 590 O3P SEP B 214 11.355 1.233 -1.444 1.00 15.00 O HETATM 0 HB3 SEP B 214 8.977 -1.085 -1.991 1.00 15.00 H new HETATM 0 HB2 SEP B 214 8.971 0.216 -0.816 1.00 15.00 H new HETATM 0 HA SEP B 214 7.350 -1.185 0.075 1.00 15.00 H new HETATM 0 H SEP B 214 9.790 -1.320 1.496 1.00 15.00 H new ATOM 595 N PRO B 215 7.196 -3.138 -1.636 1.00 15.00 N ATOM 596 CA PRO B 215 6.932 -4.369 -2.385 1.00 15.00 C ATOM 597 C PRO B 215 7.883 -4.527 -3.571 1.00 15.00 C ATOM 598 O PRO B 215 8.367 -3.542 -4.126 1.00 15.00 O ATOM 599 CB PRO B 215 5.526 -4.109 -2.959 1.00 15.00 C ATOM 600 CG PRO B 215 4.997 -3.028 -2.134 1.00 15.00 C ATOM 601 CD PRO B 215 6.186 -2.142 -1.927 1.00 15.00 C ATOM 0 HA PRO B 215 7.040 -5.256 -1.761 1.00 15.00 H new ATOM 0 HB2 PRO B 215 5.571 -3.822 -4.010 1.00 15.00 H new ATOM 0 HB3 PRO B 215 4.900 -4.999 -2.898 1.00 15.00 H new ATOM 0 HG2 PRO B 215 4.184 -2.501 -2.634 1.00 15.00 H new ATOM 0 HG3 PRO B 215 4.602 -3.399 -1.188 1.00 15.00 H new ATOM 0 HD2 PRO B 215 6.425 -1.553 -2.812 1.00 15.00 H new ATOM 0 HD3 PRO B 215 6.044 -1.440 -1.105 1.00 15.00 H new ATOM 609 N PHE B 216 8.161 -5.766 -3.945 1.00 15.00 N ATOM 610 CA PHE B 216 9.020 -6.041 -5.092 1.00 15.00 C ATOM 611 C PHE B 216 8.368 -7.058 -6.020 1.00 15.00 C ATOM 612 O PHE B 216 8.349 -6.883 -7.239 1.00 15.00 O ATOM 613 CB PHE B 216 10.394 -6.551 -4.643 1.00 15.00 C ATOM 614 CG PHE B 216 11.302 -5.477 -4.119 1.00 15.00 C ATOM 615 CD1 PHE B 216 12.086 -4.738 -4.990 1.00 15.00 C ATOM 616 CD2 PHE B 216 11.377 -5.207 -2.763 1.00 15.00 C ATOM 617 CE1 PHE B 216 12.927 -3.748 -4.519 1.00 15.00 C ATOM 618 CE2 PHE B 216 12.217 -4.219 -2.286 1.00 15.00 C ATOM 619 CZ PHE B 216 12.992 -3.489 -3.165 1.00 15.00 C ATOM 0 H PHE B 216 7.806 -6.598 -3.473 1.00 15.00 H new ATOM 0 HA PHE B 216 9.159 -5.105 -5.634 1.00 15.00 H new ATOM 0 HB2 PHE B 216 10.255 -7.305 -3.868 1.00 15.00 H new ATOM 0 HB3 PHE B 216 10.880 -7.045 -5.485 1.00 15.00 H new ATOM 0 HD1 PHE B 216 12.039 -4.938 -6.050 1.00 15.00 H new ATOM 0 HD2 PHE B 216 10.773 -5.775 -2.071 1.00 15.00 H new ATOM 0 HE1 PHE B 216 13.532 -3.178 -5.209 1.00 15.00 H new ATOM 0 HE2 PHE B 216 12.267 -4.018 -1.226 1.00 15.00 H new ATOM 0 HZ PHE B 216 13.648 -2.716 -2.793 1.00 15.00 H new ATOM 629 N GLN B 217 7.847 -8.120 -5.433 1.00 15.00 N ATOM 630 CA GLN B 217 7.175 -9.165 -6.185 1.00 15.00 C ATOM 631 C GLN B 217 5.679 -9.092 -5.939 1.00 15.00 C ATOM 632 O GLN B 217 4.938 -8.772 -6.886 1.00 15.00 O ATOM 633 CB GLN B 217 7.715 -10.545 -5.796 1.00 15.00 C ATOM 634 CG GLN B 217 8.782 -11.087 -6.740 1.00 15.00 C ATOM 635 CD GLN B 217 9.931 -10.120 -6.961 1.00 15.00 C ATOM 636 OE1 GLN B 217 9.904 -9.306 -7.884 1.00 15.00 O ATOM 637 NE2 GLN B 217 10.952 -10.205 -6.123 1.00 15.00 N ATOM 638 OXT GLN B 217 5.255 -9.315 -4.789 1.00 15.00 O ATOM 0 H GLN B 217 7.877 -8.283 -4.426 1.00 15.00 H new ATOM 0 HA GLN B 217 7.369 -9.014 -7.247 1.00 15.00 H new ATOM 0 HB2 GLN B 217 8.130 -10.490 -4.790 1.00 15.00 H new ATOM 0 HB3 GLN B 217 6.885 -11.251 -5.760 1.00 15.00 H new ATOM 0 HG2 GLN B 217 9.174 -12.021 -6.337 1.00 15.00 H new ATOM 0 HG3 GLN B 217 8.323 -11.322 -7.700 1.00 15.00 H new ATOM 0 HE21 GLN B 217 10.938 -10.893 -5.370 1.00 15.00 H new ATOM 0 HE22 GLN B 217 11.753 -9.583 -6.230 1.00 15.00 H new TER 647 GLN B 217