USER MOD reduce.3.24.130724 H: found=0, std=0, add=311, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 316 hydrogens (8 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 210 SEP H2 : B 210 SEP N : B 209 SER C :(H bumps) USER MOD NoAdj-H: B 210 SEP H : B 210 SEP N : B 209 SER C :(H bumps) 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 100:sc= -0.886 USER MOD Set 1.2: A 263 HIS : no HE2:sc= -1.7 K(o=-2.6,f=-0.13) USER MOD Set 2.1: A 254 HIS : no HD1:sc= -3.51! K(o=-3.5!,f=-1.8) USER MOD Set 2.2: A 256 GLN : amide:sc= 0 K(o=-3.5,f=-2.8) USER MOD Single : A 240 TYR OH : rot 180:sc= 0 USER MOD Single : A 242 GLN : amide:sc= -5.3! K(o=-5.3!,f=-3.6) USER MOD Single : A 244 THR OG1 : rot 45:sc= 0.268 USER MOD Single : A 245 THR OG1 : rot -165:sc= 1.47 USER MOD Single : A 247 GLN : amide:sc= 1.39 K(o=1.4,f=-0.11) USER MOD Single : A 249 GLN : amide:sc= -5.47! K(o=-5.5!,f=-3) USER MOD Single : A 251 TYR OH : rot -127:sc= 1.13 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 44:sc= 0.0727 USER MOD Single : B 208 THR OG1 : rot 22:sc= 0.399 USER MOD Single : B 209 SER OG : rot 180:sc= 0 USER MOD Single : B 217 GLN : amide:sc= 0 X(o=0,f=-0.27) USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 235 11.701 6.944 3.814 1.00 15.00 N ATOM 2 CA GLU A 235 11.135 6.283 2.622 1.00 15.00 C ATOM 3 C GLU A 235 11.062 4.780 2.841 1.00 15.00 C ATOM 4 O GLU A 235 11.522 4.280 3.864 1.00 15.00 O ATOM 5 CB GLU A 235 11.971 6.594 1.376 1.00 15.00 C ATOM 6 CG GLU A 235 11.877 8.039 0.902 1.00 15.00 C ATOM 7 CD GLU A 235 12.748 8.999 1.693 1.00 15.00 C ATOM 8 OE1 GLU A 235 13.721 9.525 1.119 1.00 15.00 O ATOM 9 OE2 GLU A 235 12.465 9.234 2.884 1.00 15.00 O1- ATOM 0 HA GLU A 235 10.128 6.669 2.464 1.00 15.00 H new ATOM 0 HB2 GLU A 235 13.015 6.360 1.585 1.00 15.00 H new ATOM 0 HB3 GLU A 235 11.653 5.937 0.566 1.00 15.00 H new ATOM 0 HG2 GLU A 235 12.161 8.086 -0.149 1.00 15.00 H new ATOM 0 HG3 GLU A 235 10.839 8.366 0.967 1.00 15.00 H new ATOM 16 N LEU A 236 10.511 4.062 1.873 1.00 15.00 N ATOM 17 CA LEU A 236 10.295 2.630 2.024 1.00 15.00 C ATOM 18 C LEU A 236 11.500 1.845 1.535 1.00 15.00 C ATOM 19 O LEU A 236 12.387 2.383 0.867 1.00 15.00 O ATOM 20 CB LEU A 236 9.071 2.139 1.216 1.00 15.00 C ATOM 21 CG LEU A 236 7.743 2.875 1.426 1.00 15.00 C ATOM 22 CD1 LEU A 236 7.436 3.008 2.902 1.00 15.00 C ATOM 23 CD2 LEU A 236 7.760 4.233 0.744 1.00 15.00 C ATOM 0 H LEU A 236 10.206 4.445 0.978 1.00 15.00 H new ATOM 0 HA LEU A 236 10.126 2.463 3.088 1.00 15.00 H new ATOM 0 HB2 LEU A 236 9.323 2.195 0.157 1.00 15.00 H new ATOM 0 HB3 LEU A 236 8.913 1.086 1.451 1.00 15.00 H new ATOM 0 HG LEU A 236 6.949 2.285 0.968 1.00 15.00 H new ATOM 0 HD11 LEU A 236 6.490 3.533 3.031 1.00 15.00 H new ATOM 0 HD12 LEU A 236 7.365 2.017 3.350 1.00 15.00 H new ATOM 0 HD13 LEU A 236 8.232 3.570 3.390 1.00 15.00 H new ATOM 0 HD21 LEU A 236 6.806 4.735 0.908 1.00 15.00 H new ATOM 0 HD22 LEU A 236 8.565 4.839 1.160 1.00 15.00 H new ATOM 0 HD23 LEU A 236 7.921 4.101 -0.326 1.00 15.00 H new ATOM 35 N PRO A 237 11.534 0.550 1.867 1.00 15.00 N ATOM 36 CA PRO A 237 12.387 -0.410 1.173 1.00 15.00 C ATOM 37 C PRO A 237 11.871 -0.626 -0.240 1.00 15.00 C ATOM 38 O PRO A 237 10.701 -0.373 -0.537 1.00 15.00 O ATOM 39 CB PRO A 237 12.241 -1.697 1.999 1.00 15.00 C ATOM 40 CG PRO A 237 11.619 -1.286 3.294 1.00 15.00 C ATOM 41 CD PRO A 237 10.818 -0.051 3.003 1.00 15.00 C ATOM 0 HA PRO A 237 13.423 -0.082 1.088 1.00 15.00 H new ATOM 0 HB2 PRO A 237 11.617 -2.425 1.480 1.00 15.00 H new ATOM 0 HB3 PRO A 237 13.210 -2.167 2.164 1.00 15.00 H new ATOM 0 HG2 PRO A 237 10.983 -2.078 3.688 1.00 15.00 H new ATOM 0 HG3 PRO A 237 12.382 -1.086 4.046 1.00 15.00 H new ATOM 0 HD2 PRO A 237 9.786 -0.291 2.748 1.00 15.00 H new ATOM 0 HD3 PRO A 237 10.787 0.621 3.861 1.00 15.00 H new ATOM 49 N GLU A 238 12.736 -1.109 -1.097 1.00 15.00 N ATOM 50 CA GLU A 238 12.423 -1.211 -2.516 1.00 15.00 C ATOM 51 C GLU A 238 11.369 -2.273 -2.780 1.00 15.00 C ATOM 52 O GLU A 238 11.519 -3.436 -2.406 1.00 15.00 O ATOM 53 CB GLU A 238 13.681 -1.530 -3.309 1.00 15.00 C ATOM 54 CG GLU A 238 14.677 -0.395 -3.306 1.00 15.00 C ATOM 55 CD GLU A 238 16.024 -0.813 -3.848 1.00 15.00 C ATOM 56 OE1 GLU A 238 16.831 -1.378 -3.081 1.00 15.00 O ATOM 57 OE2 GLU A 238 16.276 -0.592 -5.052 1.00 15.00 O1- ATOM 0 H GLU A 238 13.667 -1.441 -0.844 1.00 15.00 H new ATOM 0 HA GLU A 238 12.023 -0.249 -2.836 1.00 15.00 H new ATOM 0 HB2 GLU A 238 14.151 -2.421 -2.893 1.00 15.00 H new ATOM 0 HB3 GLU A 238 13.407 -1.765 -4.338 1.00 15.00 H new ATOM 0 HG2 GLU A 238 14.287 0.429 -3.904 1.00 15.00 H new ATOM 0 HG3 GLU A 238 14.797 -0.022 -2.289 1.00 15.00 H new ATOM 64 N GLY A 239 10.297 -1.842 -3.424 1.00 15.00 N ATOM 65 CA GLY A 239 9.226 -2.747 -3.782 1.00 15.00 C ATOM 66 C GLY A 239 7.848 -2.203 -3.452 1.00 15.00 C ATOM 67 O GLY A 239 6.844 -2.727 -3.932 1.00 15.00 O ATOM 0 H GLY A 239 10.149 -0.873 -3.707 1.00 15.00 H new ATOM 0 HA2 GLY A 239 9.280 -2.959 -4.850 1.00 15.00 H new ATOM 0 HA3 GLY A 239 9.370 -3.694 -3.262 1.00 15.00 H new ATOM 71 N TYR A 240 7.784 -1.169 -2.623 1.00 15.00 N ATOM 72 CA TYR A 240 6.498 -0.603 -2.224 1.00 15.00 C ATOM 73 C TYR A 240 6.153 0.612 -3.067 1.00 15.00 C ATOM 74 O TYR A 240 6.967 1.524 -3.215 1.00 15.00 O ATOM 75 CB TYR A 240 6.510 -0.174 -0.753 1.00 15.00 C ATOM 76 CG TYR A 240 6.892 -1.265 0.208 1.00 15.00 C ATOM 77 CD1 TYR A 240 8.188 -1.365 0.671 1.00 15.00 C ATOM 78 CD2 TYR A 240 5.965 -2.196 0.642 1.00 15.00 C ATOM 79 CE1 TYR A 240 8.562 -2.365 1.536 1.00 15.00 C ATOM 80 CE2 TYR A 240 6.324 -3.206 1.513 1.00 15.00 C ATOM 81 CZ TYR A 240 7.629 -3.289 1.957 1.00 15.00 C ATOM 82 OH TYR A 240 8.000 -4.295 2.817 1.00 15.00 O ATOM 0 H TYR A 240 8.598 -0.708 -2.216 1.00 15.00 H new ATOM 0 HA TYR A 240 5.752 -1.384 -2.372 1.00 15.00 H new ATOM 0 HB2 TYR A 240 7.205 0.657 -0.635 1.00 15.00 H new ATOM 0 HB3 TYR A 240 5.520 0.198 -0.487 1.00 15.00 H new ATOM 0 HD1 TYR A 240 8.923 -0.643 0.347 1.00 15.00 H new ATOM 0 HD2 TYR A 240 4.945 -2.132 0.294 1.00 15.00 H new ATOM 0 HE1 TYR A 240 9.582 -2.427 1.885 1.00 15.00 H new ATOM 0 HE2 TYR A 240 5.590 -3.925 1.844 1.00 15.00 H new ATOM 0 HH TYR A 240 7.223 -4.859 3.015 1.00 15.00 H new ATOM 92 N GLU A 241 4.943 0.634 -3.592 1.00 15.00 N ATOM 93 CA GLU A 241 4.430 1.817 -4.252 1.00 15.00 C ATOM 94 C GLU A 241 3.335 2.441 -3.394 1.00 15.00 C ATOM 95 O GLU A 241 2.516 1.732 -2.796 1.00 15.00 O ATOM 96 CB GLU A 241 3.889 1.485 -5.653 1.00 15.00 C ATOM 97 CG GLU A 241 2.731 0.495 -5.670 1.00 15.00 C ATOM 98 CD GLU A 241 2.078 0.384 -7.035 1.00 15.00 C ATOM 99 OE1 GLU A 241 1.034 1.034 -7.254 1.00 15.00 O ATOM 100 OE2 GLU A 241 2.612 -0.335 -7.909 1.00 15.00 O1- ATOM 0 H GLU A 241 4.297 -0.155 -3.574 1.00 15.00 H new ATOM 0 HA GLU A 241 5.247 2.528 -4.375 1.00 15.00 H new ATOM 0 HB2 GLU A 241 3.566 2.410 -6.131 1.00 15.00 H new ATOM 0 HB3 GLU A 241 4.703 1.082 -6.256 1.00 15.00 H new ATOM 0 HG2 GLU A 241 3.093 -0.487 -5.363 1.00 15.00 H new ATOM 0 HG3 GLU A 241 1.984 0.803 -4.938 1.00 15.00 H new ATOM 107 N GLN A 242 3.320 3.761 -3.324 1.00 15.00 N ATOM 108 CA GLN A 242 2.252 4.454 -2.631 1.00 15.00 C ATOM 109 C GLN A 242 1.140 4.733 -3.615 1.00 15.00 C ATOM 110 O GLN A 242 1.389 5.064 -4.774 1.00 15.00 O ATOM 111 CB GLN A 242 2.722 5.775 -2.020 1.00 15.00 C ATOM 112 CG GLN A 242 1.581 6.570 -1.395 1.00 15.00 C ATOM 113 CD GLN A 242 1.232 6.137 0.013 1.00 15.00 C ATOM 114 OE1 GLN A 242 1.729 6.704 0.980 1.00 15.00 O ATOM 115 NE2 GLN A 242 0.385 5.126 0.144 1.00 15.00 N ATOM 0 H GLN A 242 4.029 4.368 -3.735 1.00 15.00 H new ATOM 0 HA GLN A 242 1.908 3.817 -1.816 1.00 15.00 H new ATOM 0 HB2 GLN A 242 3.477 5.572 -1.261 1.00 15.00 H new ATOM 0 HB3 GLN A 242 3.200 6.378 -2.792 1.00 15.00 H new ATOM 0 HG2 GLN A 242 1.850 7.626 -1.384 1.00 15.00 H new ATOM 0 HG3 GLN A 242 0.696 6.473 -2.024 1.00 15.00 H new ATOM 0 HE21 GLN A 242 -0.008 4.679 -0.685 1.00 15.00 H new ATOM 0 HE22 GLN A 242 0.126 4.795 1.073 1.00 15.00 H new ATOM 124 N ARG A 243 -0.080 4.647 -3.138 1.00 15.00 N ATOM 125 CA ARG A 243 -1.226 4.762 -4.001 1.00 15.00 C ATOM 126 C ARG A 243 -2.320 5.572 -3.340 1.00 15.00 C ATOM 127 O ARG A 243 -2.686 5.332 -2.185 1.00 15.00 O ATOM 128 CB ARG A 243 -1.740 3.380 -4.389 1.00 15.00 C ATOM 129 CG ARG A 243 -2.923 3.448 -5.324 1.00 15.00 C ATOM 130 CD ARG A 243 -3.037 2.215 -6.187 1.00 15.00 C ATOM 131 NE ARG A 243 -3.952 2.435 -7.301 1.00 15.00 N ATOM 132 CZ ARG A 243 -3.654 2.199 -8.573 1.00 15.00 C ATOM 133 NH1 ARG A 243 -2.468 1.714 -8.903 1.00 15.00 N1+ ATOM 134 NH2 ARG A 243 -4.554 2.429 -9.518 1.00 15.00 N ATOM 0 H ARG A 243 -0.302 4.497 -2.154 1.00 15.00 H new ATOM 0 HA ARG A 243 -0.920 5.285 -4.907 1.00 15.00 H new ATOM 0 HB2 ARG A 243 -0.937 2.817 -4.864 1.00 15.00 H new ATOM 0 HB3 ARG A 243 -2.023 2.834 -3.489 1.00 15.00 H new ATOM 0 HG2 ARG A 243 -3.837 3.569 -4.743 1.00 15.00 H new ATOM 0 HG3 ARG A 243 -2.831 4.328 -5.960 1.00 15.00 H new ATOM 0 HD2 ARG A 243 -2.053 1.943 -6.569 1.00 15.00 H new ATOM 0 HD3 ARG A 243 -3.388 1.377 -5.585 1.00 15.00 H new ATOM 0 HE ARG A 243 -4.883 2.794 -7.089 1.00 15.00 H new ATOM 0 HH11 ARG A 243 -1.777 1.519 -8.178 1.00 15.00 H new ATOM 0 HH12 ARG A 243 -2.245 1.535 -9.882 1.00 15.00 H new ATOM 0 HH21 ARG A 243 -5.476 2.787 -9.268 1.00 15.00 H new ATOM 0 HH22 ARG A 243 -4.325 2.248 -10.495 1.00 15.00 H new ATOM 148 N THR A 244 -2.835 6.520 -4.094 1.00 15.00 N ATOM 149 CA THR A 244 -3.886 7.397 -3.637 1.00 15.00 C ATOM 150 C THR A 244 -5.154 7.164 -4.447 1.00 15.00 C ATOM 151 O THR A 244 -5.206 7.450 -5.641 1.00 15.00 O ATOM 152 CB THR A 244 -3.460 8.874 -3.755 1.00 15.00 C ATOM 153 OG1 THR A 244 -2.935 9.129 -5.065 1.00 15.00 O ATOM 154 CG2 THR A 244 -2.411 9.225 -2.713 1.00 15.00 C ATOM 0 H THR A 244 -2.531 6.703 -5.050 1.00 15.00 H new ATOM 0 HA THR A 244 -4.081 7.173 -2.588 1.00 15.00 H new ATOM 0 HB THR A 244 -4.340 9.494 -3.584 1.00 15.00 H new ATOM 0 HG1 THR A 244 -3.522 8.724 -5.737 1.00 15.00 H new ATOM 0 HG21 THR A 244 -2.129 10.272 -2.819 1.00 15.00 H new ATOM 0 HG22 THR A 244 -2.819 9.058 -1.716 1.00 15.00 H new ATOM 0 HG23 THR A 244 -1.532 8.596 -2.855 1.00 15.00 H new ATOM 162 N THR A 245 -6.161 6.619 -3.799 1.00 15.00 N ATOM 163 CA THR A 245 -7.444 6.406 -4.438 1.00 15.00 C ATOM 164 C THR A 245 -8.325 7.631 -4.239 1.00 15.00 C ATOM 165 O THR A 245 -8.157 8.355 -3.255 1.00 15.00 O ATOM 166 CB THR A 245 -8.151 5.134 -3.902 1.00 15.00 C ATOM 167 OG1 THR A 245 -9.535 5.133 -4.264 1.00 15.00 O ATOM 168 CG2 THR A 245 -8.017 5.014 -2.391 1.00 15.00 C ATOM 0 H THR A 245 -6.117 6.314 -2.827 1.00 15.00 H new ATOM 0 HA THR A 245 -7.271 6.253 -5.503 1.00 15.00 H new ATOM 0 HB THR A 245 -7.660 4.275 -4.359 1.00 15.00 H new ATOM 0 HG1 THR A 245 -10.014 4.470 -3.724 1.00 15.00 H new ATOM 0 HG21 THR A 245 -8.524 4.111 -2.051 1.00 15.00 H new ATOM 0 HG22 THR A 245 -6.962 4.960 -2.122 1.00 15.00 H new ATOM 0 HG23 THR A 245 -8.468 5.885 -1.915 1.00 15.00 H new ATOM 176 N VAL A 246 -9.221 7.891 -5.193 1.00 15.00 N ATOM 177 CA VAL A 246 -10.180 8.995 -5.075 1.00 15.00 C ATOM 178 C VAL A 246 -10.919 8.923 -3.738 1.00 15.00 C ATOM 179 O VAL A 246 -11.396 9.930 -3.214 1.00 15.00 O ATOM 180 CB VAL A 246 -11.199 8.997 -6.238 1.00 15.00 C ATOM 181 CG1 VAL A 246 -10.506 9.328 -7.550 1.00 15.00 C ATOM 182 CG2 VAL A 246 -11.915 7.656 -6.341 1.00 15.00 C ATOM 0 H VAL A 246 -9.304 7.353 -6.056 1.00 15.00 H new ATOM 0 HA VAL A 246 -9.612 9.924 -5.123 1.00 15.00 H new ATOM 0 HB VAL A 246 -11.945 9.765 -6.032 1.00 15.00 H new ATOM 0 HG11 VAL A 246 -11.237 9.325 -8.358 1.00 15.00 H new ATOM 0 HG12 VAL A 246 -10.046 10.314 -7.480 1.00 15.00 H new ATOM 0 HG13 VAL A 246 -9.737 8.583 -7.754 1.00 15.00 H new ATOM 0 HG21 VAL A 246 -12.626 7.685 -7.167 1.00 15.00 H new ATOM 0 HG22 VAL A 246 -11.185 6.866 -6.518 1.00 15.00 H new ATOM 0 HG23 VAL A 246 -12.447 7.455 -5.411 1.00 15.00 H new ATOM 192 N GLN A 247 -10.980 7.708 -3.204 1.00 15.00 N ATOM 193 CA GLN A 247 -11.455 7.431 -1.854 1.00 15.00 C ATOM 194 C GLN A 247 -10.822 8.372 -0.819 1.00 15.00 C ATOM 195 O GLN A 247 -11.479 8.800 0.129 1.00 15.00 O ATOM 196 CB GLN A 247 -11.094 5.986 -1.526 1.00 15.00 C ATOM 197 CG GLN A 247 -11.360 5.561 -0.103 1.00 15.00 C ATOM 198 CD GLN A 247 -12.829 5.318 0.169 1.00 15.00 C ATOM 199 OE1 GLN A 247 -13.552 6.215 0.603 1.00 15.00 O ATOM 200 NE2 GLN A 247 -13.282 4.107 -0.101 1.00 15.00 N ATOM 0 H GLN A 247 -10.694 6.870 -3.710 1.00 15.00 H new ATOM 0 HA GLN A 247 -12.532 7.591 -1.813 1.00 15.00 H new ATOM 0 HB2 GLN A 247 -11.651 5.329 -2.194 1.00 15.00 H new ATOM 0 HB3 GLN A 247 -10.036 5.836 -1.741 1.00 15.00 H new ATOM 0 HG2 GLN A 247 -10.800 4.651 0.111 1.00 15.00 H new ATOM 0 HG3 GLN A 247 -10.991 6.329 0.576 1.00 15.00 H new ATOM 0 HE21 GLN A 247 -12.648 3.393 -0.459 1.00 15.00 H new ATOM 0 HE22 GLN A 247 -14.266 3.886 0.049 1.00 15.00 H new ATOM 209 N GLY A 248 -9.539 8.669 -0.994 1.00 15.00 N ATOM 210 CA GLY A 248 -8.860 9.586 -0.096 1.00 15.00 C ATOM 211 C GLY A 248 -7.887 8.902 0.846 1.00 15.00 C ATOM 212 O GLY A 248 -7.296 9.550 1.710 1.00 15.00 O ATOM 0 H GLY A 248 -8.957 8.291 -1.741 1.00 15.00 H new ATOM 0 HA2 GLY A 248 -8.322 10.328 -0.686 1.00 15.00 H new ATOM 0 HA3 GLY A 248 -9.604 10.125 0.491 1.00 15.00 H new ATOM 216 N GLN A 249 -7.694 7.601 0.678 1.00 15.00 N ATOM 217 CA GLN A 249 -6.846 6.845 1.593 1.00 15.00 C ATOM 218 C GLN A 249 -5.592 6.337 0.885 1.00 15.00 C ATOM 219 O GLN A 249 -5.661 5.837 -0.242 1.00 15.00 O ATOM 220 CB GLN A 249 -7.610 5.655 2.173 1.00 15.00 C ATOM 221 CG GLN A 249 -9.101 5.886 2.329 1.00 15.00 C ATOM 222 CD GLN A 249 -9.822 4.702 2.949 1.00 15.00 C ATOM 223 OE1 GLN A 249 -9.976 4.617 4.167 1.00 15.00 O ATOM 224 NE2 GLN A 249 -10.265 3.777 2.110 1.00 15.00 N ATOM 0 H GLN A 249 -8.108 7.051 -0.075 1.00 15.00 H new ATOM 0 HA GLN A 249 -6.551 7.517 2.399 1.00 15.00 H new ATOM 0 HB2 GLN A 249 -7.454 4.789 1.529 1.00 15.00 H new ATOM 0 HB3 GLN A 249 -7.189 5.408 3.147 1.00 15.00 H new ATOM 0 HG2 GLN A 249 -9.264 6.768 2.948 1.00 15.00 H new ATOM 0 HG3 GLN A 249 -9.535 6.098 1.352 1.00 15.00 H new ATOM 0 HE21 GLN A 249 -10.117 3.885 1.107 1.00 15.00 H new ATOM 0 HE22 GLN A 249 -10.754 2.957 2.467 1.00 15.00 H new ATOM 233 N VAL A 250 -4.458 6.442 1.567 1.00 15.00 N ATOM 234 CA VAL A 250 -3.191 5.941 1.046 1.00 15.00 C ATOM 235 C VAL A 250 -2.974 4.487 1.467 1.00 15.00 C ATOM 236 O VAL A 250 -2.968 4.167 2.654 1.00 15.00 O ATOM 237 CB VAL A 250 -1.992 6.804 1.524 1.00 15.00 C ATOM 238 CG1 VAL A 250 -1.987 8.144 0.810 1.00 15.00 C ATOM 239 CG2 VAL A 250 -2.036 7.014 3.033 1.00 15.00 C ATOM 0 H VAL A 250 -4.390 6.873 2.489 1.00 15.00 H new ATOM 0 HA VAL A 250 -3.244 6.001 -0.041 1.00 15.00 H new ATOM 0 HB VAL A 250 -1.074 6.269 1.280 1.00 15.00 H new ATOM 0 HG11 VAL A 250 -1.141 8.737 1.156 1.00 15.00 H new ATOM 0 HG12 VAL A 250 -1.902 7.983 -0.265 1.00 15.00 H new ATOM 0 HG13 VAL A 250 -2.914 8.675 1.026 1.00 15.00 H new ATOM 0 HG21 VAL A 250 -1.185 7.622 3.341 1.00 15.00 H new ATOM 0 HG22 VAL A 250 -2.961 7.523 3.303 1.00 15.00 H new ATOM 0 HG23 VAL A 250 -1.993 6.048 3.536 1.00 15.00 H new ATOM 249 N TYR A 251 -2.822 3.604 0.492 1.00 15.00 N ATOM 250 CA TYR A 251 -2.553 2.204 0.787 1.00 15.00 C ATOM 251 C TYR A 251 -1.232 1.764 0.152 1.00 15.00 C ATOM 252 O TYR A 251 -0.994 2.002 -1.035 1.00 15.00 O ATOM 253 CB TYR A 251 -3.744 1.299 0.380 1.00 15.00 C ATOM 254 CG TYR A 251 -4.267 1.427 -1.048 1.00 15.00 C ATOM 255 CD1 TYR A 251 -5.120 2.464 -1.425 1.00 15.00 C ATOM 256 CD2 TYR A 251 -3.960 0.468 -2.010 1.00 15.00 C ATOM 257 CE1 TYR A 251 -5.631 2.527 -2.703 1.00 15.00 C ATOM 258 CE2 TYR A 251 -4.458 0.530 -3.278 1.00 15.00 C ATOM 259 CZ TYR A 251 -5.301 1.564 -3.626 1.00 15.00 C ATOM 260 OH TYR A 251 -5.814 1.648 -4.898 1.00 15.00 O ATOM 0 H TYR A 251 -2.879 3.828 -0.501 1.00 15.00 H new ATOM 0 HA TYR A 251 -2.443 2.093 1.866 1.00 15.00 H new ATOM 0 HB2 TYR A 251 -3.449 0.262 0.539 1.00 15.00 H new ATOM 0 HB3 TYR A 251 -4.570 1.503 1.061 1.00 15.00 H new ATOM 0 HD1 TYR A 251 -5.383 3.227 -0.707 1.00 15.00 H new ATOM 0 HD2 TYR A 251 -3.307 -0.350 -1.744 1.00 15.00 H new ATOM 0 HE1 TYR A 251 -6.292 3.335 -2.980 1.00 15.00 H new ATOM 0 HE2 TYR A 251 -4.194 -0.225 -4.004 1.00 15.00 H new ATOM 0 HH TYR A 251 -6.253 0.803 -5.130 1.00 15.00 H new ATOM 270 N PHE A 252 -0.376 1.132 0.958 1.00 15.00 N ATOM 271 CA PHE A 252 0.967 0.752 0.522 1.00 15.00 C ATOM 272 C PHE A 252 0.980 -0.625 -0.091 1.00 15.00 C ATOM 273 O PHE A 252 0.797 -1.628 0.603 1.00 15.00 O ATOM 274 CB PHE A 252 1.964 0.784 1.684 1.00 15.00 C ATOM 275 CG PHE A 252 2.470 2.163 1.978 1.00 15.00 C ATOM 276 CD1 PHE A 252 2.274 2.754 3.219 1.00 15.00 C ATOM 277 CD2 PHE A 252 3.107 2.890 0.988 1.00 15.00 C ATOM 278 CE1 PHE A 252 2.700 4.045 3.456 1.00 15.00 C ATOM 279 CE2 PHE A 252 3.546 4.173 1.226 1.00 15.00 C ATOM 280 CZ PHE A 252 3.339 4.752 2.459 1.00 15.00 C ATOM 0 H PHE A 252 -0.592 0.872 1.920 1.00 15.00 H new ATOM 0 HA PHE A 252 1.266 1.483 -0.229 1.00 15.00 H new ATOM 0 HB2 PHE A 252 1.487 0.379 2.577 1.00 15.00 H new ATOM 0 HB3 PHE A 252 2.808 0.135 1.451 1.00 15.00 H new ATOM 0 HD1 PHE A 252 1.784 2.199 4.005 1.00 15.00 H new ATOM 0 HD2 PHE A 252 3.262 2.445 0.016 1.00 15.00 H new ATOM 0 HE1 PHE A 252 2.533 4.501 4.421 1.00 15.00 H new ATOM 0 HE2 PHE A 252 4.052 4.725 0.447 1.00 15.00 H new ATOM 0 HZ PHE A 252 3.677 5.761 2.645 1.00 15.00 H new ATOM 290 N LEU A 253 1.189 -0.672 -1.397 1.00 15.00 N ATOM 291 CA LEU A 253 1.210 -1.931 -2.111 1.00 15.00 C ATOM 292 C LEU A 253 2.583 -2.346 -2.590 1.00 15.00 C ATOM 293 O LEU A 253 3.340 -1.581 -3.183 1.00 15.00 O ATOM 294 CB LEU A 253 0.164 -1.983 -3.232 1.00 15.00 C ATOM 295 CG LEU A 253 -1.183 -2.548 -2.791 1.00 15.00 C ATOM 296 CD1 LEU A 253 -1.163 -4.046 -3.015 1.00 15.00 C ATOM 297 CD2 LEU A 253 -1.433 -2.219 -1.332 1.00 15.00 C ATOM 0 H LEU A 253 1.346 0.149 -1.981 1.00 15.00 H new ATOM 0 HA LEU A 253 0.928 -2.680 -1.371 1.00 15.00 H new ATOM 0 HB2 LEU A 253 0.015 -0.977 -3.624 1.00 15.00 H new ATOM 0 HB3 LEU A 253 0.552 -2.590 -4.050 1.00 15.00 H new ATOM 0 HG LEU A 253 -1.991 -2.104 -3.372 1.00 15.00 H new ATOM 0 HD11 LEU A 253 -2.117 -4.473 -2.706 1.00 15.00 H new ATOM 0 HD12 LEU A 253 -0.998 -4.254 -4.072 1.00 15.00 H new ATOM 0 HD13 LEU A 253 -0.360 -4.491 -2.428 1.00 15.00 H new ATOM 0 HD21 LEU A 253 -2.397 -2.627 -1.027 1.00 15.00 H new ATOM 0 HD22 LEU A 253 -0.644 -2.656 -0.720 1.00 15.00 H new ATOM 0 HD23 LEU A 253 -1.438 -1.137 -1.199 1.00 15.00 H new ATOM 309 N HIS A 254 2.861 -3.601 -2.309 1.00 15.00 N ATOM 310 CA HIS A 254 4.107 -4.258 -2.654 1.00 15.00 C ATOM 311 C HIS A 254 3.784 -5.661 -3.091 1.00 15.00 C ATOM 312 O HIS A 254 3.516 -6.514 -2.242 1.00 15.00 O ATOM 313 CB HIS A 254 5.038 -4.311 -1.430 1.00 15.00 C ATOM 314 CG HIS A 254 6.146 -5.336 -1.492 1.00 15.00 C ATOM 315 ND1 HIS A 254 6.096 -6.538 -0.805 1.00 15.00 N ATOM 316 CD2 HIS A 254 7.328 -5.341 -2.154 1.00 15.00 C ATOM 317 CE1 HIS A 254 7.192 -7.234 -1.052 1.00 15.00 C ATOM 318 NE2 HIS A 254 7.956 -6.528 -1.863 1.00 15.00 N ATOM 0 H HIS A 254 2.207 -4.212 -1.819 1.00 15.00 H new ATOM 0 HA HIS A 254 4.609 -3.708 -3.450 1.00 15.00 H new ATOM 0 HB2 HIS A 254 5.486 -3.327 -1.295 1.00 15.00 H new ATOM 0 HB3 HIS A 254 4.433 -4.510 -0.545 1.00 15.00 H new ATOM 0 HD2 HIS A 254 7.707 -4.557 -2.793 1.00 15.00 H new ATOM 0 HE1 HIS A 254 7.422 -8.213 -0.658 1.00 15.00 H new ATOM 0 HE2 HIS A 254 8.868 -6.817 -2.218 1.00 15.00 H new ATOM 327 N THR A 255 3.757 -5.943 -4.374 1.00 15.00 N ATOM 328 CA THR A 255 3.477 -7.308 -4.714 1.00 15.00 C ATOM 329 C THR A 255 4.762 -8.058 -5.024 1.00 15.00 C ATOM 330 O THR A 255 5.231 -8.140 -6.157 1.00 15.00 O ATOM 331 CB THR A 255 2.478 -7.408 -5.897 1.00 15.00 C ATOM 332 OG1 THR A 255 2.376 -8.761 -6.356 1.00 15.00 O ATOM 333 CG2 THR A 255 2.885 -6.499 -7.053 1.00 15.00 C ATOM 0 H THR A 255 3.914 -5.295 -5.146 1.00 15.00 H new ATOM 0 HA THR A 255 3.006 -7.775 -3.849 1.00 15.00 H new ATOM 0 HB THR A 255 1.505 -7.078 -5.531 1.00 15.00 H new ATOM 0 HG1 THR A 255 1.741 -8.807 -7.101 1.00 15.00 H new ATOM 0 HG21 THR A 255 2.162 -6.595 -7.863 1.00 15.00 H new ATOM 0 HG22 THR A 255 2.911 -5.464 -6.711 1.00 15.00 H new ATOM 0 HG23 THR A 255 3.873 -6.787 -7.412 1.00 15.00 H new ATOM 341 N GLN A 256 5.327 -8.581 -3.955 1.00 15.00 N ATOM 342 CA GLN A 256 6.123 -9.782 -3.959 1.00 15.00 C ATOM 343 C GLN A 256 5.237 -10.894 -3.443 1.00 15.00 C ATOM 344 O GLN A 256 5.113 -11.967 -4.028 1.00 15.00 O ATOM 345 CB GLN A 256 7.343 -9.609 -3.062 1.00 15.00 C ATOM 346 CG GLN A 256 8.306 -10.777 -3.064 1.00 15.00 C ATOM 347 CD GLN A 256 9.390 -10.622 -2.016 1.00 15.00 C ATOM 348 OE1 GLN A 256 9.764 -9.505 -1.656 1.00 15.00 O ATOM 349 NE2 GLN A 256 9.896 -11.737 -1.521 1.00 15.00 N ATOM 0 H GLN A 256 5.239 -8.163 -3.029 1.00 15.00 H new ATOM 0 HA GLN A 256 6.486 -10.010 -4.961 1.00 15.00 H new ATOM 0 HB2 GLN A 256 7.880 -8.713 -3.373 1.00 15.00 H new ATOM 0 HB3 GLN A 256 7.004 -9.438 -2.040 1.00 15.00 H new ATOM 0 HG2 GLN A 256 7.756 -11.700 -2.883 1.00 15.00 H new ATOM 0 HG3 GLN A 256 8.764 -10.867 -4.049 1.00 15.00 H new ATOM 0 HE21 GLN A 256 9.556 -12.641 -1.849 1.00 15.00 H new ATOM 0 HE22 GLN A 256 10.627 -11.694 -0.811 1.00 15.00 H new ATOM 358 N THR A 257 4.631 -10.582 -2.295 1.00 15.00 N ATOM 359 CA THR A 257 3.778 -11.491 -1.570 1.00 15.00 C ATOM 360 C THR A 257 2.419 -10.891 -1.338 1.00 15.00 C ATOM 361 O THR A 257 1.665 -11.251 -0.437 1.00 15.00 O ATOM 362 CB THR A 257 4.392 -11.794 -0.229 1.00 15.00 C ATOM 363 OG1 THR A 257 4.713 -10.557 0.424 1.00 15.00 O ATOM 364 CG2 THR A 257 5.651 -12.631 -0.361 1.00 15.00 C ATOM 0 H THR A 257 4.729 -9.671 -1.846 1.00 15.00 H new ATOM 0 HA THR A 257 3.673 -12.399 -2.164 1.00 15.00 H new ATOM 0 HB THR A 257 3.671 -12.366 0.355 1.00 15.00 H new ATOM 0 HG1 THR A 257 5.112 -10.743 1.299 1.00 15.00 H new ATOM 0 HG21 THR A 257 6.063 -12.827 0.629 1.00 15.00 H new ATOM 0 HG22 THR A 257 5.410 -13.576 -0.848 1.00 15.00 H new ATOM 0 HG23 THR A 257 6.386 -12.092 -0.959 1.00 15.00 H new ATOM 372 N GLY A 258 2.151 -10.013 -2.220 1.00 15.00 N ATOM 373 CA GLY A 258 0.938 -9.213 -2.209 1.00 15.00 C ATOM 374 C GLY A 258 0.718 -8.458 -0.903 1.00 15.00 C ATOM 375 O GLY A 258 -0.127 -8.845 -0.097 1.00 15.00 O ATOM 0 H GLY A 258 2.770 -9.805 -3.003 1.00 15.00 H new ATOM 0 HA2 GLY A 258 0.977 -8.498 -3.031 1.00 15.00 H new ATOM 0 HA3 GLY A 258 0.082 -9.863 -2.392 1.00 15.00 H new ATOM 379 N VAL A 259 1.471 -7.381 -0.686 1.00 15.00 N ATOM 380 CA VAL A 259 1.237 -6.522 0.482 1.00 15.00 C ATOM 381 C VAL A 259 0.248 -5.428 0.166 1.00 15.00 C ATOM 382 O VAL A 259 0.505 -4.583 -0.684 1.00 15.00 O ATOM 383 CB VAL A 259 2.521 -5.852 1.047 1.00 15.00 C ATOM 384 CG1 VAL A 259 2.168 -4.742 2.030 1.00 15.00 C ATOM 385 CG2 VAL A 259 3.358 -6.888 1.748 1.00 15.00 C ATOM 0 H VAL A 259 2.237 -7.083 -1.290 1.00 15.00 H new ATOM 0 HA VAL A 259 0.847 -7.199 1.242 1.00 15.00 H new ATOM 0 HB VAL A 259 3.078 -5.418 0.217 1.00 15.00 H new ATOM 0 HG11 VAL A 259 3.083 -4.289 2.411 1.00 15.00 H new ATOM 0 HG12 VAL A 259 1.571 -3.983 1.523 1.00 15.00 H new ATOM 0 HG13 VAL A 259 1.597 -5.159 2.859 1.00 15.00 H new ATOM 0 HG21 VAL A 259 4.259 -6.420 2.145 1.00 15.00 H new ATOM 0 HG22 VAL A 259 2.786 -7.325 2.566 1.00 15.00 H new ATOM 0 HG23 VAL A 259 3.636 -7.670 1.041 1.00 15.00 H new ATOM 395 N SER A 260 -0.869 -5.464 0.864 1.00 15.00 N ATOM 396 CA SER A 260 -1.848 -4.383 0.823 1.00 15.00 C ATOM 397 C SER A 260 -2.162 -3.947 2.237 1.00 15.00 C ATOM 398 O SER A 260 -2.804 -4.680 2.995 1.00 15.00 O ATOM 399 CB SER A 260 -3.134 -4.780 0.077 1.00 15.00 C ATOM 400 OG SER A 260 -3.581 -6.067 0.470 1.00 15.00 O ATOM 0 H SER A 260 -1.128 -6.238 1.475 1.00 15.00 H new ATOM 0 HA SER A 260 -1.413 -3.554 0.265 1.00 15.00 H new ATOM 0 HB2 SER A 260 -3.914 -4.045 0.276 1.00 15.00 H new ATOM 0 HB3 SER A 260 -2.952 -4.768 -0.998 1.00 15.00 H new ATOM 0 HG SER A 260 -3.514 -6.153 1.444 1.00 15.00 H new ATOM 406 N THR A 261 -1.696 -2.767 2.600 1.00 15.00 N ATOM 407 CA THR A 261 -1.730 -2.358 3.996 1.00 15.00 C ATOM 408 C THR A 261 -1.861 -0.848 4.161 1.00 15.00 C ATOM 409 O THR A 261 -1.440 -0.074 3.297 1.00 15.00 O ATOM 410 CB THR A 261 -0.477 -2.851 4.751 1.00 15.00 C ATOM 411 OG1 THR A 261 -0.581 -2.523 6.140 1.00 15.00 O ATOM 412 CG2 THR A 261 0.794 -2.240 4.173 1.00 15.00 C ATOM 0 H THR A 261 -1.294 -2.082 1.960 1.00 15.00 H new ATOM 0 HA THR A 261 -2.619 -2.821 4.426 1.00 15.00 H new ATOM 0 HB THR A 261 -0.420 -3.933 4.634 1.00 15.00 H new ATOM 0 HG1 THR A 261 -0.872 -3.313 6.642 1.00 15.00 H new ATOM 0 HG21 THR A 261 1.658 -2.607 4.726 1.00 15.00 H new ATOM 0 HG22 THR A 261 0.889 -2.521 3.124 1.00 15.00 H new ATOM 0 HG23 THR A 261 0.745 -1.154 4.254 1.00 15.00 H new ATOM 420 N TRP A 262 -2.491 -0.443 5.260 1.00 15.00 N ATOM 421 CA TRP A 262 -2.598 0.966 5.610 1.00 15.00 C ATOM 422 C TRP A 262 -1.285 1.490 6.179 1.00 15.00 C ATOM 423 O TRP A 262 -1.012 2.690 6.136 1.00 15.00 O ATOM 424 CB TRP A 262 -3.678 1.194 6.665 1.00 15.00 C ATOM 425 CG TRP A 262 -5.071 0.905 6.216 1.00 15.00 C ATOM 426 CD1 TRP A 262 -5.912 -0.049 6.714 1.00 15.00 C ATOM 427 CD2 TRP A 262 -5.798 1.577 5.185 1.00 15.00 C ATOM 428 NE1 TRP A 262 -7.119 0.013 6.086 1.00 15.00 N ATOM 429 CE2 TRP A 262 -7.073 0.993 5.142 1.00 15.00 C ATOM 430 CE3 TRP A 262 -5.508 2.621 4.298 1.00 15.00 C ATOM 431 CZ2 TRP A 262 -8.043 1.413 4.262 1.00 15.00 C ATOM 432 CZ3 TRP A 262 -6.491 3.021 3.412 1.00 15.00 C ATOM 433 CH2 TRP A 262 -7.741 2.411 3.414 1.00 15.00 C ATOM 0 H TRP A 262 -2.936 -1.076 5.925 1.00 15.00 H new ATOM 0 HA TRP A 262 -2.852 1.495 4.692 1.00 15.00 H new ATOM 0 HB2 TRP A 262 -3.455 0.571 7.531 1.00 15.00 H new ATOM 0 HB3 TRP A 262 -3.627 2.231 6.997 1.00 15.00 H new ATOM 0 HD1 TRP A 262 -5.657 -0.751 7.494 1.00 15.00 H new ATOM 0 HE1 TRP A 262 -7.925 -0.578 6.290 1.00 15.00 H new ATOM 0 HE3 TRP A 262 -4.541 3.102 4.306 1.00 15.00 H new ATOM 0 HZ2 TRP A 262 -9.020 0.954 4.253 1.00 15.00 H new ATOM 0 HZ3 TRP A 262 -6.286 3.816 2.710 1.00 15.00 H new ATOM 0 HH2 TRP A 262 -8.491 2.749 2.714 1.00 15.00 H new ATOM 444 N HIS A 263 -0.492 0.594 6.751 1.00 15.00 N ATOM 445 CA HIS A 263 0.692 1.015 7.483 1.00 15.00 C ATOM 446 C HIS A 263 1.906 1.079 6.569 1.00 15.00 C ATOM 447 O HIS A 263 2.172 0.157 5.799 1.00 15.00 O ATOM 448 CB HIS A 263 0.964 0.096 8.696 1.00 15.00 C ATOM 449 CG HIS A 263 1.857 -1.087 8.431 1.00 15.00 C ATOM 450 ND1 HIS A 263 3.231 -1.037 8.569 1.00 15.00 N ATOM 451 CD2 HIS A 263 1.569 -2.353 8.051 1.00 15.00 C ATOM 452 CE1 HIS A 263 3.741 -2.222 8.281 1.00 15.00 C ATOM 453 NE2 HIS A 263 2.756 -3.033 7.967 1.00 15.00 N ATOM 0 H HIS A 263 -0.644 -0.414 6.723 1.00 15.00 H new ATOM 0 HA HIS A 263 0.501 2.018 7.864 1.00 15.00 H new ATOM 0 HB2 HIS A 263 1.411 0.695 9.489 1.00 15.00 H new ATOM 0 HB3 HIS A 263 0.009 -0.270 9.073 1.00 15.00 H new ATOM 0 HD1 HIS A 263 3.767 -0.216 8.849 1.00 15.00 H new ATOM 0 HD2 HIS A 263 0.586 -2.754 7.851 1.00 15.00 H new ATOM 0 HE1 HIS A 263 4.790 -2.480 8.300 1.00 15.00 H new ATOM 462 N ASP A 264 2.627 2.185 6.661 1.00 15.00 N ATOM 463 CA ASP A 264 3.929 2.310 6.025 1.00 15.00 C ATOM 464 C ASP A 264 4.802 1.136 6.462 1.00 15.00 C ATOM 465 O ASP A 264 4.986 0.902 7.649 1.00 15.00 O ATOM 466 CB ASP A 264 4.557 3.649 6.428 1.00 15.00 C ATOM 467 CG ASP A 264 5.875 3.934 5.742 1.00 15.00 C ATOM 468 OD1 ASP A 264 5.943 4.908 4.961 1.00 15.00 O ATOM 469 OD2 ASP A 264 6.852 3.206 5.991 1.00 15.00 O1- ATOM 0 H ASP A 264 2.330 3.015 7.174 1.00 15.00 H new ATOM 0 HA ASP A 264 3.834 2.289 4.939 1.00 15.00 H new ATOM 0 HB2 ASP A 264 3.857 4.452 6.198 1.00 15.00 H new ATOM 0 HB3 ASP A 264 4.710 3.658 7.507 1.00 15.00 H new ATOM 474 N PRO A 265 5.307 0.336 5.524 1.00 15.00 N ATOM 475 CA PRO A 265 6.061 -0.871 5.856 1.00 15.00 C ATOM 476 C PRO A 265 7.438 -0.598 6.425 1.00 15.00 C ATOM 477 O PRO A 265 8.087 -1.495 6.962 1.00 15.00 O ATOM 478 CB PRO A 265 6.153 -1.634 4.534 1.00 15.00 C ATOM 479 CG PRO A 265 5.228 -0.926 3.599 1.00 15.00 C ATOM 480 CD PRO A 265 5.155 0.492 4.076 1.00 15.00 C ATOM 0 HA PRO A 265 5.561 -1.431 6.646 1.00 15.00 H new ATOM 0 HB2 PRO A 265 7.174 -1.634 4.151 1.00 15.00 H new ATOM 0 HB3 PRO A 265 5.860 -2.676 4.661 1.00 15.00 H new ATOM 0 HG2 PRO A 265 5.598 -0.973 2.575 1.00 15.00 H new ATOM 0 HG3 PRO A 265 4.241 -1.389 3.603 1.00 15.00 H new ATOM 0 HD2 PRO A 265 5.946 1.108 3.647 1.00 15.00 H new ATOM 0 HD3 PRO A 265 4.207 0.962 3.814 1.00 15.00 H new ATOM 488 N ARG A 266 7.899 0.620 6.280 1.00 15.00 N ATOM 489 CA ARG A 266 9.158 1.018 6.865 1.00 15.00 C ATOM 490 C ARG A 266 8.949 1.319 8.331 1.00 15.00 C ATOM 491 O ARG A 266 9.891 1.573 9.081 1.00 15.00 O ATOM 492 CB ARG A 266 9.664 2.246 6.158 1.00 15.00 C ATOM 493 CG ARG A 266 11.128 2.546 6.411 1.00 15.00 C ATOM 494 CD ARG A 266 12.048 1.452 5.895 1.00 15.00 C ATOM 495 NE ARG A 266 13.452 1.774 6.145 1.00 15.00 N ATOM 496 CZ ARG A 266 14.478 0.989 5.819 1.00 15.00 C ATOM 497 NH1 ARG A 266 14.268 -0.190 5.245 1.00 15.00 N1+ ATOM 498 NH2 ARG A 266 15.716 1.384 6.082 1.00 15.00 N ATOM 0 H ARG A 266 7.420 1.356 5.760 1.00 15.00 H new ATOM 0 HA ARG A 266 9.889 0.216 6.762 1.00 15.00 H new ATOM 0 HB2 ARG A 266 9.509 2.125 5.086 1.00 15.00 H new ATOM 0 HB3 ARG A 266 9.069 3.104 6.471 1.00 15.00 H new ATOM 0 HG2 ARG A 266 11.389 3.490 5.933 1.00 15.00 H new ATOM 0 HG3 ARG A 266 11.289 2.675 7.481 1.00 15.00 H new ATOM 0 HD2 ARG A 266 11.798 0.507 6.377 1.00 15.00 H new ATOM 0 HD3 ARG A 266 11.889 1.316 4.825 1.00 15.00 H new ATOM 0 HE ARG A 266 13.661 2.662 6.601 1.00 15.00 H new ATOM 0 HH11 ARG A 266 13.316 -0.500 5.051 1.00 15.00 H new ATOM 0 HH12 ARG A 266 15.059 -0.785 4.998 1.00 15.00 H new ATOM 0 HH21 ARG A 266 15.879 2.285 6.532 1.00 15.00 H new ATOM 0 HH22 ARG A 266 16.505 0.787 5.835 1.00 15.00 H new ATOM 512 N ILE A 267 7.688 1.307 8.708 1.00 15.00 N ATOM 513 CA ILE A 267 7.300 1.558 10.097 1.00 15.00 C ATOM 514 C ILE A 267 7.748 0.401 10.984 1.00 15.00 C ATOM 515 O ILE A 267 8.628 0.613 11.843 1.00 15.00 O ATOM 516 CB ILE A 267 5.773 1.773 10.272 1.00 15.00 C ATOM 517 CG1 ILE A 267 5.293 3.018 9.516 1.00 15.00 C ATOM 518 CG2 ILE A 267 5.410 1.884 11.750 1.00 15.00 C ATOM 519 CD1 ILE A 267 5.977 4.301 9.943 1.00 15.00 C ATOM 520 OXT ILE A 267 7.240 -0.726 10.799 1.00 15.00 O ATOM 0 H ILE A 267 6.907 1.127 8.078 1.00 15.00 H new ATOM 0 HA ILE A 267 7.796 2.482 10.394 1.00 15.00 H new ATOM 0 HB ILE A 267 5.269 0.904 9.849 1.00 15.00 H new ATOM 0 HG12 ILE A 267 5.458 2.868 8.449 1.00 15.00 H new ATOM 0 HG13 ILE A 267 4.218 3.126 9.660 1.00 15.00 H new ATOM 0 HG21 ILE A 267 4.335 2.034 11.850 1.00 15.00 H new ATOM 0 HG22 ILE A 267 5.698 0.968 12.265 1.00 15.00 H new ATOM 0 HG23 ILE A 267 5.937 2.729 12.192 1.00 15.00 H new ATOM 0 HD11 ILE A 267 5.582 5.134 9.362 1.00 15.00 H new ATOM 0 HD12 ILE A 267 5.791 4.477 11.003 1.00 15.00 H new ATOM 0 HD13 ILE A 267 7.050 4.215 9.772 1.00 15.00 H new TER 532 ILE A 267 ATOM 533 N THR B 208 2.886 1.204 -9.999 1.00 15.00 N ATOM 534 CA THR B 208 1.594 1.918 -10.089 1.00 15.00 C ATOM 535 C THR B 208 0.472 0.941 -10.464 1.00 15.00 C ATOM 536 O THR B 208 -0.459 1.287 -11.192 1.00 15.00 O ATOM 537 CB THR B 208 1.684 3.051 -11.135 1.00 15.00 C ATOM 538 OG1 THR B 208 2.961 3.697 -11.029 1.00 15.00 O ATOM 539 CG2 THR B 208 0.585 4.085 -10.925 1.00 15.00 C ATOM 0 HA THR B 208 1.367 2.354 -9.116 1.00 15.00 H new ATOM 0 HB THR B 208 1.561 2.611 -12.125 1.00 15.00 H new ATOM 0 HG1 THR B 208 3.600 3.090 -10.600 1.00 15.00 H new ATOM 0 HG21 THR B 208 0.675 4.869 -11.676 1.00 15.00 H new ATOM 0 HG22 THR B 208 -0.389 3.604 -11.017 1.00 15.00 H new ATOM 0 HG23 THR B 208 0.682 4.522 -9.931 1.00 15.00 H new ATOM 549 N SER B 209 0.543 -0.274 -9.931 1.00 15.00 N ATOM 550 CA SER B 209 -0.414 -1.311 -10.285 1.00 15.00 C ATOM 551 C SER B 209 -0.873 -2.071 -9.043 1.00 15.00 C ATOM 552 O SER B 209 -0.080 -2.744 -8.383 1.00 15.00 O ATOM 553 CB SER B 209 0.211 -2.269 -11.301 1.00 15.00 C ATOM 554 OG SER B 209 0.699 -1.562 -12.433 1.00 15.00 O ATOM 0 H SER B 209 1.251 -0.562 -9.255 1.00 15.00 H new ATOM 0 HA SER B 209 -1.289 -0.841 -10.734 1.00 15.00 H new ATOM 0 HB2 SER B 209 1.026 -2.820 -10.833 1.00 15.00 H new ATOM 0 HB3 SER B 209 -0.530 -3.003 -11.618 1.00 15.00 H new ATOM 0 HG SER B 209 1.095 -2.195 -13.068 1.00 15.00 H new HETATM 560 N SEP B 210 -2.153 -1.953 -8.731 1.00 15.00 N HETATM 561 CA SEP B 210 -2.714 -2.579 -7.549 1.00 15.00 C HETATM 562 CB SEP B 210 -3.443 -1.515 -6.716 1.00 15.00 C HETATM 563 OG SEP B 210 -4.271 -0.714 -7.549 1.00 15.00 O HETATM 564 C SEP B 210 -3.648 -3.728 -7.932 1.00 15.00 C HETATM 565 O SEP B 210 -4.610 -3.553 -8.680 1.00 15.00 O HETATM 566 P SEP B 210 -5.870 -0.502 -7.342 1.00 15.00 P HETATM 567 O1P SEP B 210 -6.211 0.857 -7.765 1.00 15.00 O HETATM 568 O2P SEP B 210 -6.593 -1.470 -8.172 1.00 15.00 O HETATM 569 O3P SEP B 210 -6.200 -0.683 -5.927 1.00 15.00 O HETATM 0 HB3 SEP B 210 -4.047 -1.997 -5.948 1.00 15.00 H new HETATM 0 HB2 SEP B 210 -2.716 -0.886 -6.202 1.00 15.00 H new HETATM 0 HA SEP B 210 -1.912 -3.008 -6.949 1.00 15.00 H new ATOM 574 N ASP B 211 -3.328 -4.917 -7.435 1.00 15.00 N ATOM 575 CA ASP B 211 -4.196 -6.085 -7.579 1.00 15.00 C ATOM 576 C ASP B 211 -5.304 -6.190 -6.495 1.00 15.00 C ATOM 577 O ASP B 211 -6.259 -6.944 -6.687 1.00 15.00 O ATOM 578 CB ASP B 211 -3.368 -7.372 -7.559 1.00 15.00 C ATOM 579 CG ASP B 211 -2.397 -7.463 -8.714 1.00 15.00 C ATOM 580 OD1 ASP B 211 -2.837 -7.745 -9.848 1.00 15.00 O ATOM 581 OD2 ASP B 211 -1.185 -7.258 -8.494 1.00 15.00 O1- ATOM 0 H ASP B 211 -2.465 -5.101 -6.923 1.00 15.00 H new ATOM 0 HA ASP B 211 -4.696 -5.955 -8.539 1.00 15.00 H new ATOM 0 HB2 ASP B 211 -2.816 -7.429 -6.621 1.00 15.00 H new ATOM 0 HB3 ASP B 211 -4.039 -8.231 -7.586 1.00 15.00 H new ATOM 586 N PRO B 212 -5.209 -5.489 -5.330 1.00 15.00 N ATOM 587 CA PRO B 212 -6.181 -5.600 -4.256 1.00 15.00 C ATOM 588 C PRO B 212 -7.219 -4.487 -4.312 1.00 15.00 C ATOM 589 O PRO B 212 -6.998 -3.447 -4.932 1.00 15.00 O ATOM 590 CB PRO B 212 -5.295 -5.428 -3.029 1.00 15.00 C ATOM 591 CG PRO B 212 -4.313 -4.444 -3.426 1.00 15.00 C ATOM 592 CD PRO B 212 -4.176 -4.519 -4.923 1.00 15.00 C ATOM 0 HA PRO B 212 -6.754 -6.527 -4.286 1.00 15.00 H new ATOM 0 HB2 PRO B 212 -5.871 -5.089 -2.168 1.00 15.00 H new ATOM 0 HB3 PRO B 212 -4.822 -6.368 -2.746 1.00 15.00 H new ATOM 0 HG2 PRO B 212 -4.625 -3.446 -3.119 1.00 15.00 H new ATOM 0 HG3 PRO B 212 -3.356 -4.641 -2.943 1.00 15.00 H new ATOM 0 HD2 PRO B 212 -4.337 -3.546 -5.387 1.00 15.00 H new ATOM 0 HD3 PRO B 212 -3.180 -4.851 -5.216 1.00 15.00 H new ATOM 600 N GLY B 213 -8.339 -4.696 -3.657 1.00 15.00 N ATOM 601 CA GLY B 213 -9.312 -3.640 -3.533 1.00 15.00 C ATOM 602 C GLY B 213 -9.019 -2.829 -2.290 1.00 15.00 C ATOM 603 O GLY B 213 -8.321 -3.309 -1.390 1.00 15.00 O ATOM 0 H GLY B 213 -8.595 -5.576 -3.208 1.00 15.00 H new ATOM 0 HA2 GLY B 213 -9.283 -2.999 -4.414 1.00 15.00 H new ATOM 0 HA3 GLY B 213 -10.316 -4.061 -3.478 1.00 15.00 H new HETATM 607 N SEP B 214 -9.533 -1.616 -2.217 1.00 15.00 N HETATM 608 CA SEP B 214 -9.138 -0.703 -1.163 1.00 15.00 C HETATM 609 CB SEP B 214 -9.202 0.741 -1.678 1.00 15.00 C HETATM 610 OG SEP B 214 -10.319 0.938 -2.521 1.00 15.00 O HETATM 611 C SEP B 214 -10.045 -0.892 0.050 1.00 15.00 C HETATM 612 O SEP B 214 -11.254 -1.101 -0.072 1.00 15.00 O HETATM 613 P SEP B 214 -11.339 2.178 -2.339 1.00 15.00 P HETATM 614 O1P SEP B 214 -12.705 1.679 -2.487 1.00 15.00 O HETATM 615 O2P SEP B 214 -11.136 2.748 -1.010 1.00 15.00 O HETATM 616 O3P SEP B 214 -11.053 3.173 -3.384 1.00 15.00 O HETATM 0 HB3 SEP B 214 -9.256 1.428 -0.834 1.00 15.00 H new HETATM 0 HB2 SEP B 214 -8.287 0.976 -2.222 1.00 15.00 H new HETATM 0 HA SEP B 214 -8.112 -0.914 -0.860 1.00 15.00 H new HETATM 0 H SEP B 214 -9.797 -1.254 -3.133 1.00 15.00 H new ATOM 621 N PRO B 215 -9.444 -0.839 1.241 1.00 15.00 N ATOM 622 CA PRO B 215 -10.096 -1.182 2.505 1.00 15.00 C ATOM 623 C PRO B 215 -10.792 0.011 3.156 1.00 15.00 C ATOM 624 O PRO B 215 -10.506 1.162 2.837 1.00 15.00 O ATOM 625 CB PRO B 215 -8.897 -1.641 3.377 1.00 15.00 C ATOM 626 CG PRO B 215 -7.690 -1.555 2.494 1.00 15.00 C ATOM 627 CD PRO B 215 -8.036 -0.540 1.456 1.00 15.00 C ATOM 0 HA PRO B 215 -10.883 -1.925 2.377 1.00 15.00 H new ATOM 0 HB2 PRO B 215 -8.785 -1.004 4.254 1.00 15.00 H new ATOM 0 HB3 PRO B 215 -9.044 -2.659 3.739 1.00 15.00 H new ATOM 0 HG2 PRO B 215 -6.808 -1.254 3.060 1.00 15.00 H new ATOM 0 HG3 PRO B 215 -7.464 -2.520 2.041 1.00 15.00 H new ATOM 0 HD2 PRO B 215 -7.879 0.480 1.807 1.00 15.00 H new ATOM 0 HD3 PRO B 215 -7.445 -0.659 0.548 1.00 15.00 H new ATOM 635 N PHE B 216 -11.724 -0.273 4.054 1.00 15.00 N ATOM 636 CA PHE B 216 -12.414 0.774 4.800 1.00 15.00 C ATOM 637 C PHE B 216 -12.023 0.716 6.271 1.00 15.00 C ATOM 638 O PHE B 216 -12.449 1.543 7.081 1.00 15.00 O ATOM 639 CB PHE B 216 -13.932 0.631 4.657 1.00 15.00 C ATOM 640 CG PHE B 216 -14.452 0.926 3.278 1.00 15.00 C ATOM 641 CD1 PHE B 216 -14.418 -0.042 2.284 1.00 15.00 C ATOM 642 CD2 PHE B 216 -14.984 2.168 2.977 1.00 15.00 C ATOM 643 CE1 PHE B 216 -14.906 0.227 1.019 1.00 15.00 C ATOM 644 CE2 PHE B 216 -15.472 2.443 1.715 1.00 15.00 C ATOM 645 CZ PHE B 216 -15.433 1.471 0.735 1.00 15.00 C ATOM 0 H PHE B 216 -12.022 -1.221 4.285 1.00 15.00 H new ATOM 0 HA PHE B 216 -12.117 1.739 4.390 1.00 15.00 H new ATOM 0 HB2 PHE B 216 -14.217 -0.385 4.931 1.00 15.00 H new ATOM 0 HB3 PHE B 216 -14.417 1.301 5.367 1.00 15.00 H new ATOM 0 HD1 PHE B 216 -14.006 -1.016 2.501 1.00 15.00 H new ATOM 0 HD2 PHE B 216 -15.018 2.932 3.739 1.00 15.00 H new ATOM 0 HE1 PHE B 216 -14.875 -0.535 0.254 1.00 15.00 H new ATOM 0 HE2 PHE B 216 -15.884 3.417 1.495 1.00 15.00 H new ATOM 0 HZ PHE B 216 -15.814 1.684 -0.253 1.00 15.00 H new ATOM 655 N GLN B 217 -11.201 -0.266 6.602 1.00 15.00 N ATOM 656 CA GLN B 217 -10.786 -0.506 7.974 1.00 15.00 C ATOM 657 C GLN B 217 -9.334 -0.961 8.002 1.00 15.00 C ATOM 658 O GLN B 217 -8.565 -0.489 8.864 1.00 15.00 O ATOM 659 CB GLN B 217 -11.700 -1.554 8.622 1.00 15.00 C ATOM 660 CG GLN B 217 -11.830 -2.832 7.806 1.00 15.00 C ATOM 661 CD GLN B 217 -12.858 -3.795 8.369 1.00 15.00 C ATOM 662 OE1 GLN B 217 -13.089 -3.851 9.578 1.00 15.00 O ATOM 663 NE2 GLN B 217 -13.485 -4.557 7.490 1.00 15.00 N ATOM 664 OXT GLN B 217 -8.953 -1.761 7.122 1.00 15.00 O ATOM 0 H GLN B 217 -10.803 -0.919 5.927 1.00 15.00 H new ATOM 0 HA GLN B 217 -10.868 0.419 8.544 1.00 15.00 H new ATOM 0 HB2 GLN B 217 -11.313 -1.801 9.611 1.00 15.00 H new ATOM 0 HB3 GLN B 217 -12.690 -1.122 8.766 1.00 15.00 H new ATOM 0 HG2 GLN B 217 -12.103 -2.576 6.782 1.00 15.00 H new ATOM 0 HG3 GLN B 217 -10.861 -3.329 7.763 1.00 15.00 H new ATOM 0 HE21 GLN B 217 -13.263 -4.479 6.497 1.00 15.00 H new ATOM 0 HE22 GLN B 217 -14.191 -5.223 7.804 1.00 15.00 H new TER 673 GLN B 217