USER MOD reduce.3.24.130724 H: found=0, std=0, add=267, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 271 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 261 THR OG1 : rot 120:sc= -1.12 USER MOD Set 1.2: A 263 HIS : no HE2:sc= -0.185 K(o=-1.3,f=-1.9!) USER MOD Set 2.1: A 254 HIS :FLIP no HD1:sc= -0.511 F(o=-1.4,f=-0.55) USER MOD Set 2.2: A 256 GLN :FLIP amide:sc= -0.0387 F(o=-1.9!,f=-0.55) USER MOD Set 3.1: A 247 GLN : amide:sc= -2.66! C(o=-3.3!,f=-5.8!) USER MOD Set 3.2: A 249 GLN :FLIP amide:sc= -0.642 F(o=-9.4!,f=-3.3) USER MOD Single : A 240 TYR OH : rot 180:sc= 0 USER MOD Single : A 242 GLN :FLIP amide:sc= 0.754 F(o=0,f=0.75) USER MOD Single : A 244 THR OG1 : rot 180:sc= 0 USER MOD Single : A 245 THR OG1 : rot 180:sc= 0 USER MOD Single : A 251 TYR OH : rot 180:sc= 0.845 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 -29:sc= 0.314 USER MOD ----------------------------------------------------------------- ATOM 18 N LEU A 236 -10.496 4.817 -1.545 1.00 15.00 N ATOM 19 CA LEU A 236 -10.283 3.558 -0.842 1.00 15.00 C ATOM 20 C LEU A 236 -11.050 3.582 0.468 1.00 15.00 C ATOM 21 O LEU A 236 -11.562 4.626 0.871 1.00 15.00 O ATOM 22 CB LEU A 236 -8.791 3.300 -0.537 1.00 15.00 C ATOM 23 CG LEU A 236 -7.785 3.613 -1.652 1.00 15.00 C ATOM 24 CD1 LEU A 236 -8.279 3.100 -2.992 1.00 15.00 C ATOM 25 CD2 LEU A 236 -7.493 5.103 -1.709 1.00 15.00 C ATOM 0 HA LEU A 236 -10.637 2.757 -1.492 1.00 15.00 H new ATOM 0 HB2 LEU A 236 -8.518 3.888 0.339 1.00 15.00 H new ATOM 0 HB3 LEU A 236 -8.678 2.251 -0.264 1.00 15.00 H new ATOM 0 HG LEU A 236 -6.853 3.095 -1.423 1.00 15.00 H new ATOM 0 HD11 LEU A 236 -7.547 3.335 -3.764 1.00 15.00 H new ATOM 0 HD12 LEU A 236 -8.417 2.020 -2.940 1.00 15.00 H new ATOM 0 HD13 LEU A 236 -9.229 3.576 -3.236 1.00 15.00 H new ATOM 0 HD21 LEU A 236 -6.777 5.303 -2.506 1.00 15.00 H new ATOM 0 HD22 LEU A 236 -8.417 5.648 -1.905 1.00 15.00 H new ATOM 0 HD23 LEU A 236 -7.075 5.429 -0.756 1.00 15.00 H new ATOM 37 N PRO A 237 -11.149 2.435 1.148 1.00 15.00 N ATOM 38 CA PRO A 237 -11.629 2.391 2.526 1.00 15.00 C ATOM 39 C PRO A 237 -10.608 3.015 3.454 1.00 15.00 C ATOM 40 O PRO A 237 -9.443 3.192 3.094 1.00 15.00 O ATOM 41 CB PRO A 237 -11.788 0.893 2.821 1.00 15.00 C ATOM 42 CG PRO A 237 -11.664 0.199 1.502 1.00 15.00 C ATOM 43 CD PRO A 237 -10.834 1.095 0.631 1.00 15.00 C ATOM 0 HA PRO A 237 -12.558 2.942 2.670 1.00 15.00 H new ATOM 0 HB2 PRO A 237 -11.023 0.549 3.517 1.00 15.00 H new ATOM 0 HB3 PRO A 237 -12.754 0.686 3.282 1.00 15.00 H new ATOM 0 HG2 PRO A 237 -11.191 -0.776 1.619 1.00 15.00 H new ATOM 0 HG3 PRO A 237 -12.645 0.027 1.060 1.00 15.00 H new ATOM 0 HD2 PRO A 237 -9.771 0.869 0.715 1.00 15.00 H new ATOM 0 HD3 PRO A 237 -11.099 0.995 -0.421 1.00 15.00 H new ATOM 51 N GLU A 238 -11.051 3.341 4.637 1.00 15.00 N ATOM 52 CA GLU A 238 -10.213 4.037 5.600 1.00 15.00 C ATOM 53 C GLU A 238 -9.098 3.136 6.131 1.00 15.00 C ATOM 54 O GLU A 238 -9.279 1.929 6.316 1.00 15.00 O ATOM 55 CB GLU A 238 -11.049 4.572 6.767 1.00 15.00 C ATOM 56 CG GLU A 238 -11.879 3.515 7.477 1.00 15.00 C ATOM 57 CD GLU A 238 -13.205 3.246 6.790 1.00 15.00 C ATOM 58 OE1 GLU A 238 -13.254 2.379 5.894 1.00 15.00 O1- ATOM 59 OE2 GLU A 238 -14.204 3.912 7.133 1.00 15.00 O ATOM 0 H GLU A 238 -11.994 3.138 4.968 1.00 15.00 H new ATOM 0 HA GLU A 238 -9.754 4.877 5.078 1.00 15.00 H new ATOM 0 HB2 GLU A 238 -10.383 5.041 7.491 1.00 15.00 H new ATOM 0 HB3 GLU A 238 -11.715 5.351 6.395 1.00 15.00 H new ATOM 0 HG2 GLU A 238 -11.309 2.588 7.531 1.00 15.00 H new ATOM 0 HG3 GLU A 238 -12.065 3.834 8.502 1.00 15.00 H new ATOM 66 N GLY A 239 -7.957 3.748 6.405 1.00 15.00 N ATOM 67 CA GLY A 239 -6.829 3.021 6.951 1.00 15.00 C ATOM 68 C GLY A 239 -5.776 2.653 5.919 1.00 15.00 C ATOM 69 O GLY A 239 -4.810 1.968 6.246 1.00 15.00 O ATOM 0 H GLY A 239 -7.791 4.743 6.258 1.00 15.00 H new ATOM 0 HA2 GLY A 239 -6.364 3.624 7.731 1.00 15.00 H new ATOM 0 HA3 GLY A 239 -7.192 2.110 7.426 1.00 15.00 H new ATOM 73 N TYR A 240 -5.958 3.087 4.677 1.00 15.00 N ATOM 74 CA TYR A 240 -4.971 2.815 3.631 1.00 15.00 C ATOM 75 C TYR A 240 -4.197 4.074 3.276 1.00 15.00 C ATOM 76 O TYR A 240 -4.788 5.084 2.900 1.00 15.00 O ATOM 77 CB TYR A 240 -5.633 2.290 2.346 1.00 15.00 C ATOM 78 CG TYR A 240 -6.335 0.965 2.493 1.00 15.00 C ATOM 79 CD1 TYR A 240 -5.613 -0.208 2.619 1.00 15.00 C ATOM 80 CD2 TYR A 240 -7.718 0.890 2.518 1.00 15.00 C ATOM 81 CE1 TYR A 240 -6.253 -1.426 2.769 1.00 15.00 C ATOM 82 CE2 TYR A 240 -8.364 -0.317 2.671 1.00 15.00 C ATOM 83 CZ TYR A 240 -7.629 -1.473 2.799 1.00 15.00 C ATOM 84 OH TYR A 240 -8.268 -2.682 2.960 1.00 15.00 O ATOM 0 H TYR A 240 -6.769 3.623 4.369 1.00 15.00 H new ATOM 0 HA TYR A 240 -4.299 2.056 4.031 1.00 15.00 H new ATOM 0 HB2 TYR A 240 -6.353 3.030 1.997 1.00 15.00 H new ATOM 0 HB3 TYR A 240 -4.870 2.197 1.573 1.00 15.00 H new ATOM 0 HD1 TYR A 240 -4.534 -0.173 2.600 1.00 15.00 H new ATOM 0 HD2 TYR A 240 -8.300 1.794 2.416 1.00 15.00 H new ATOM 0 HE1 TYR A 240 -5.676 -2.335 2.862 1.00 15.00 H new ATOM 0 HE2 TYR A 240 -9.443 -0.356 2.690 1.00 15.00 H new ATOM 0 HH TYR A 240 -9.238 -2.542 2.961 1.00 15.00 H new ATOM 94 N GLU A 241 -2.883 4.010 3.381 1.00 15.00 N ATOM 95 CA GLU A 241 -2.037 5.077 2.875 1.00 15.00 C ATOM 96 C GLU A 241 -1.272 4.584 1.648 1.00 15.00 C ATOM 97 O GLU A 241 -0.672 3.505 1.661 1.00 15.00 O ATOM 98 CB GLU A 241 -1.076 5.596 3.956 1.00 15.00 C ATOM 99 CG GLU A 241 -0.144 4.546 4.534 1.00 15.00 C ATOM 100 CD GLU A 241 0.868 5.141 5.491 1.00 15.00 C ATOM 101 OE1 GLU A 241 0.530 5.343 6.675 1.00 15.00 O1- ATOM 102 OE2 GLU A 241 2.010 5.420 5.064 1.00 15.00 O ATOM 0 H GLU A 241 -2.379 3.234 3.810 1.00 15.00 H new ATOM 0 HA GLU A 241 -2.671 5.915 2.585 1.00 15.00 H new ATOM 0 HB2 GLU A 241 -0.476 6.401 3.533 1.00 15.00 H new ATOM 0 HB3 GLU A 241 -1.662 6.028 4.767 1.00 15.00 H new ATOM 0 HG2 GLU A 241 -0.731 3.789 5.054 1.00 15.00 H new ATOM 0 HG3 GLU A 241 0.380 4.042 3.722 1.00 15.00 H new ATOM 109 N GLN A 242 -1.311 5.369 0.585 1.00 15.00 N ATOM 110 CA GLN A 242 -0.626 5.016 -0.648 1.00 15.00 C ATOM 111 C GLN A 242 0.788 5.573 -0.613 1.00 15.00 C ATOM 112 O GLN A 242 0.983 6.789 -0.616 1.00 15.00 O ATOM 113 CB GLN A 242 -1.385 5.582 -1.856 1.00 15.00 C ATOM 114 CG GLN A 242 -0.923 5.034 -3.201 1.00 15.00 C ATOM 115 CD GLN A 242 -1.578 5.739 -4.371 1.00 15.00 C ATOM 116 OE1 GLN A 242 -0.943 6.796 -4.848 1.00 15.00 O flip ATOM 117 NE2 GLN A 242 -2.638 5.337 -4.845 1.00 15.00 N flip ATOM 0 H GLN A 242 -1.811 6.257 0.550 1.00 15.00 H new ATOM 0 HA GLN A 242 -0.587 3.931 -0.741 1.00 15.00 H new ATOM 0 HB2 GLN A 242 -2.447 5.368 -1.735 1.00 15.00 H new ATOM 0 HB3 GLN A 242 -1.277 6.667 -1.862 1.00 15.00 H new ATOM 0 HG2 GLN A 242 0.159 5.137 -3.279 1.00 15.00 H new ATOM 0 HG3 GLN A 242 -1.147 3.968 -3.252 1.00 15.00 H new ATOM 0 HE21 GLN A 242 -3.096 4.517 -4.447 1.00 15.00 H new ATOM 0 HE22 GLN A 242 -3.060 5.823 -5.636 1.00 15.00 H new ATOM 126 N ARG A 243 1.775 4.695 -0.539 1.00 15.00 N ATOM 127 CA ARG A 243 3.149 5.149 -0.447 1.00 15.00 C ATOM 128 C ARG A 243 3.908 4.960 -1.729 1.00 15.00 C ATOM 129 O ARG A 243 3.733 3.977 -2.452 1.00 15.00 O ATOM 130 CB ARG A 243 3.897 4.492 0.702 1.00 15.00 C ATOM 131 CG ARG A 243 3.733 5.274 1.975 1.00 15.00 C ATOM 132 CD ARG A 243 4.558 4.718 3.113 1.00 15.00 C ATOM 133 NE ARG A 243 5.992 4.665 2.828 1.00 15.00 N ATOM 134 CZ ARG A 243 6.885 5.484 3.382 1.00 15.00 C ATOM 135 NH1 ARG A 243 6.481 6.500 4.136 1.00 15.00 N1+ ATOM 136 NH2 ARG A 243 8.183 5.282 3.189 1.00 15.00 N ATOM 0 H ARG A 243 1.653 3.682 -0.541 1.00 15.00 H new ATOM 0 HA ARG A 243 3.088 6.219 -0.249 1.00 15.00 H new ATOM 0 HB2 ARG A 243 3.528 3.476 0.846 1.00 15.00 H new ATOM 0 HB3 ARG A 243 4.955 4.415 0.453 1.00 15.00 H new ATOM 0 HG2 ARG A 243 4.018 6.311 1.798 1.00 15.00 H new ATOM 0 HG3 ARG A 243 2.681 5.277 2.262 1.00 15.00 H new ATOM 0 HD2 ARG A 243 4.395 5.329 4.001 1.00 15.00 H new ATOM 0 HD3 ARG A 243 4.206 3.714 3.349 1.00 15.00 H new ATOM 0 HE ARG A 243 6.327 3.962 2.169 1.00 15.00 H new ATOM 0 HH11 ARG A 243 5.485 6.655 4.292 1.00 15.00 H new ATOM 0 HH12 ARG A 243 7.167 7.125 4.559 1.00 15.00 H new ATOM 0 HH21 ARG A 243 8.498 4.499 2.616 1.00 15.00 H new ATOM 0 HH22 ARG A 243 8.866 5.910 3.614 1.00 15.00 H new ATOM 150 N THR A 244 4.790 5.901 -1.955 1.00 15.00 N ATOM 151 CA THR A 244 5.609 5.921 -3.147 1.00 15.00 C ATOM 152 C THR A 244 7.085 5.903 -2.762 1.00 15.00 C ATOM 153 O THR A 244 7.685 6.939 -2.477 1.00 15.00 O ATOM 154 CB THR A 244 5.293 7.149 -4.030 1.00 15.00 C ATOM 155 OG1 THR A 244 3.890 7.180 -4.333 1.00 15.00 O ATOM 156 CG2 THR A 244 6.088 7.103 -5.329 1.00 15.00 C ATOM 0 H THR A 244 4.963 6.678 -1.317 1.00 15.00 H new ATOM 0 HA THR A 244 5.381 5.030 -3.732 1.00 15.00 H new ATOM 0 HB THR A 244 5.574 8.047 -3.480 1.00 15.00 H new ATOM 0 HG1 THR A 244 3.693 7.961 -4.892 1.00 15.00 H new ATOM 0 HG21 THR A 244 5.848 7.978 -5.933 1.00 15.00 H new ATOM 0 HG22 THR A 244 7.154 7.099 -5.103 1.00 15.00 H new ATOM 0 HG23 THR A 244 5.831 6.199 -5.881 1.00 15.00 H new ATOM 164 N THR A 245 7.637 4.706 -2.713 1.00 15.00 N ATOM 165 CA THR A 245 9.025 4.503 -2.334 1.00 15.00 C ATOM 166 C THR A 245 9.929 4.554 -3.566 1.00 15.00 C ATOM 167 O THR A 245 9.490 4.253 -4.679 1.00 15.00 O ATOM 168 CB THR A 245 9.216 3.173 -1.575 1.00 15.00 C ATOM 169 OG1 THR A 245 10.604 2.952 -1.289 1.00 15.00 O ATOM 170 CG2 THR A 245 8.674 2.018 -2.384 1.00 15.00 C ATOM 0 H THR A 245 7.137 3.845 -2.935 1.00 15.00 H new ATOM 0 HA THR A 245 9.307 5.311 -1.659 1.00 15.00 H new ATOM 0 HB THR A 245 8.666 3.237 -0.636 1.00 15.00 H new ATOM 0 HG1 THR A 245 10.708 2.106 -0.806 1.00 15.00 H new ATOM 0 HG21 THR A 245 8.818 1.089 -1.833 1.00 15.00 H new ATOM 0 HG22 THR A 245 7.610 2.170 -2.568 1.00 15.00 H new ATOM 0 HG23 THR A 245 9.202 1.961 -3.336 1.00 15.00 H new ATOM 178 N VAL A 246 11.170 4.986 -3.347 1.00 15.00 N ATOM 179 CA VAL A 246 12.164 5.204 -4.408 1.00 15.00 C ATOM 180 C VAL A 246 12.212 4.071 -5.450 1.00 15.00 C ATOM 181 O VAL A 246 12.592 4.305 -6.597 1.00 15.00 O ATOM 182 CB VAL A 246 13.570 5.389 -3.793 1.00 15.00 C ATOM 183 CG1 VAL A 246 14.593 5.758 -4.856 1.00 15.00 C ATOM 184 CG2 VAL A 246 13.537 6.439 -2.691 1.00 15.00 C ATOM 0 H VAL A 246 11.523 5.199 -2.414 1.00 15.00 H new ATOM 0 HA VAL A 246 11.851 6.107 -4.932 1.00 15.00 H new ATOM 0 HB VAL A 246 13.873 4.437 -3.356 1.00 15.00 H new ATOM 0 HG11 VAL A 246 15.572 5.881 -4.392 1.00 15.00 H new ATOM 0 HG12 VAL A 246 14.643 4.966 -5.603 1.00 15.00 H new ATOM 0 HG13 VAL A 246 14.299 6.692 -5.336 1.00 15.00 H new ATOM 0 HG21 VAL A 246 14.535 6.556 -2.270 1.00 15.00 H new ATOM 0 HG22 VAL A 246 13.204 7.391 -3.105 1.00 15.00 H new ATOM 0 HG23 VAL A 246 12.848 6.123 -1.908 1.00 15.00 H new ATOM 194 N GLN A 247 11.812 2.856 -5.062 1.00 15.00 N ATOM 195 CA GLN A 247 11.772 1.720 -5.996 1.00 15.00 C ATOM 196 C GLN A 247 10.926 2.040 -7.240 1.00 15.00 C ATOM 197 O GLN A 247 11.019 1.347 -8.256 1.00 15.00 O ATOM 198 CB GLN A 247 11.216 0.464 -5.313 1.00 15.00 C ATOM 199 CG GLN A 247 9.774 0.604 -4.878 1.00 15.00 C ATOM 200 CD GLN A 247 9.112 -0.708 -4.505 1.00 15.00 C ATOM 201 OE1 GLN A 247 7.905 -0.854 -4.648 1.00 15.00 O ATOM 202 NE2 GLN A 247 9.877 -1.665 -4.017 1.00 15.00 N ATOM 0 H GLN A 247 11.512 2.632 -4.113 1.00 15.00 H new ATOM 0 HA GLN A 247 12.799 1.533 -6.311 1.00 15.00 H new ATOM 0 HB2 GLN A 247 11.301 -0.380 -5.997 1.00 15.00 H new ATOM 0 HB3 GLN A 247 11.829 0.231 -4.442 1.00 15.00 H new ATOM 0 HG2 GLN A 247 9.727 1.279 -4.023 1.00 15.00 H new ATOM 0 HG3 GLN A 247 9.206 1.070 -5.683 1.00 15.00 H new ATOM 0 HE21 GLN A 247 10.880 -1.512 -3.910 1.00 15.00 H new ATOM 0 HE22 GLN A 247 9.466 -2.558 -3.746 1.00 15.00 H new ATOM 211 N GLY A 248 10.073 3.061 -7.136 1.00 15.00 N ATOM 212 CA GLY A 248 9.299 3.517 -8.275 1.00 15.00 C ATOM 213 C GLY A 248 7.992 2.775 -8.427 1.00 15.00 C ATOM 214 O GLY A 248 7.459 2.662 -9.532 1.00 15.00 O ATOM 0 H GLY A 248 9.906 3.581 -6.275 1.00 15.00 H new ATOM 0 HA2 GLY A 248 9.097 4.583 -8.168 1.00 15.00 H new ATOM 0 HA3 GLY A 248 9.889 3.394 -9.183 1.00 15.00 H new ATOM 218 N GLN A 249 7.473 2.265 -7.318 1.00 15.00 N ATOM 219 CA GLN A 249 6.244 1.484 -7.337 1.00 15.00 C ATOM 220 C GLN A 249 5.373 1.867 -6.145 1.00 15.00 C ATOM 221 O GLN A 249 5.881 2.079 -5.040 1.00 15.00 O ATOM 222 CB GLN A 249 6.567 -0.016 -7.284 1.00 15.00 C ATOM 223 CG GLN A 249 7.826 -0.403 -8.041 1.00 15.00 C ATOM 224 CD GLN A 249 8.126 -1.894 -8.048 1.00 15.00 C ATOM 225 OE1 GLN A 249 8.899 -2.351 -7.072 1.00 15.00 O flip ATOM 226 NE2 GLN A 249 7.685 -2.625 -8.932 1.00 15.00 N flip ATOM 0 H GLN A 249 7.885 2.379 -6.392 1.00 15.00 H new ATOM 0 HA GLN A 249 5.706 1.695 -8.261 1.00 15.00 H new ATOM 0 HB2 GLN A 249 6.674 -0.318 -6.242 1.00 15.00 H new ATOM 0 HB3 GLN A 249 5.724 -0.574 -7.692 1.00 15.00 H new ATOM 0 HG2 GLN A 249 7.735 -0.059 -9.071 1.00 15.00 H new ATOM 0 HG3 GLN A 249 8.674 0.123 -7.603 1.00 15.00 H new ATOM 0 HE21 GLN A 249 7.093 -2.237 -9.667 1.00 15.00 H new ATOM 0 HE22 GLN A 249 7.911 -3.620 -8.931 1.00 15.00 H new ATOM 235 N VAL A 250 4.069 1.949 -6.370 1.00 15.00 N ATOM 236 CA VAL A 250 3.130 2.307 -5.314 1.00 15.00 C ATOM 237 C VAL A 250 2.638 1.061 -4.587 1.00 15.00 C ATOM 238 O VAL A 250 2.422 0.017 -5.201 1.00 15.00 O ATOM 239 CB VAL A 250 1.919 3.094 -5.867 1.00 15.00 C ATOM 240 CG1 VAL A 250 2.354 4.459 -6.372 1.00 15.00 C ATOM 241 CG2 VAL A 250 1.221 2.317 -6.977 1.00 15.00 C ATOM 0 H VAL A 250 3.636 1.772 -7.276 1.00 15.00 H new ATOM 0 HA VAL A 250 3.665 2.949 -4.614 1.00 15.00 H new ATOM 0 HB VAL A 250 1.210 3.233 -5.051 1.00 15.00 H new ATOM 0 HG11 VAL A 250 1.488 4.997 -6.757 1.00 15.00 H new ATOM 0 HG12 VAL A 250 2.799 5.025 -5.553 1.00 15.00 H new ATOM 0 HG13 VAL A 250 3.088 4.335 -7.168 1.00 15.00 H new ATOM 0 HG21 VAL A 250 0.373 2.894 -7.347 1.00 15.00 H new ATOM 0 HG22 VAL A 250 1.922 2.138 -7.792 1.00 15.00 H new ATOM 0 HG23 VAL A 250 0.868 1.363 -6.586 1.00 15.00 H new ATOM 251 N TYR A 251 2.474 1.173 -3.276 1.00 15.00 N ATOM 252 CA TYR A 251 2.031 0.051 -2.461 1.00 15.00 C ATOM 253 C TYR A 251 1.088 0.553 -1.376 1.00 15.00 C ATOM 254 O TYR A 251 1.301 1.624 -0.800 1.00 15.00 O ATOM 255 CB TYR A 251 3.265 -0.670 -1.888 1.00 15.00 C ATOM 256 CG TYR A 251 4.068 0.107 -0.862 1.00 15.00 C ATOM 257 CD1 TYR A 251 3.645 0.247 0.458 1.00 15.00 C ATOM 258 CD2 TYR A 251 5.280 0.673 -1.220 1.00 15.00 C ATOM 259 CE1 TYR A 251 4.410 0.929 1.380 1.00 15.00 C ATOM 260 CE2 TYR A 251 6.045 1.357 -0.304 1.00 15.00 C ATOM 261 CZ TYR A 251 5.608 1.483 0.992 1.00 15.00 C ATOM 262 OH TYR A 251 6.375 2.164 1.904 1.00 15.00 O ATOM 0 H TYR A 251 2.642 2.033 -2.753 1.00 15.00 H new ATOM 0 HA TYR A 251 1.476 -0.671 -3.060 1.00 15.00 H new ATOM 0 HB2 TYR A 251 2.937 -1.604 -1.433 1.00 15.00 H new ATOM 0 HB3 TYR A 251 3.925 -0.933 -2.715 1.00 15.00 H new ATOM 0 HD1 TYR A 251 2.704 -0.185 0.764 1.00 15.00 H new ATOM 0 HD2 TYR A 251 5.631 0.576 -2.237 1.00 15.00 H new ATOM 0 HE1 TYR A 251 4.071 1.028 2.401 1.00 15.00 H new ATOM 0 HE2 TYR A 251 6.986 1.794 -0.603 1.00 15.00 H new ATOM 0 HH TYR A 251 7.189 2.491 1.467 1.00 15.00 H new ATOM 272 N PHE A 252 0.040 -0.210 -1.117 1.00 15.00 N ATOM 273 CA PHE A 252 -0.992 0.215 -0.185 1.00 15.00 C ATOM 274 C PHE A 252 -0.735 -0.302 1.218 1.00 15.00 C ATOM 275 O PHE A 252 -0.669 -1.511 1.447 1.00 15.00 O ATOM 276 CB PHE A 252 -2.369 -0.213 -0.697 1.00 15.00 C ATOM 277 CG PHE A 252 -2.789 0.619 -1.873 1.00 15.00 C ATOM 278 CD1 PHE A 252 -2.917 1.986 -1.727 1.00 15.00 C ATOM 279 CD2 PHE A 252 -3.003 0.059 -3.127 1.00 15.00 C ATOM 280 CE1 PHE A 252 -3.254 2.783 -2.797 1.00 15.00 C ATOM 281 CE2 PHE A 252 -3.327 0.859 -4.207 1.00 15.00 C ATOM 282 CZ PHE A 252 -3.456 2.223 -4.039 1.00 15.00 C ATOM 0 H PHE A 252 -0.119 -1.125 -1.538 1.00 15.00 H new ATOM 0 HA PHE A 252 -0.967 1.303 -0.124 1.00 15.00 H new ATOM 0 HB2 PHE A 252 -2.344 -1.265 -0.982 1.00 15.00 H new ATOM 0 HB3 PHE A 252 -3.104 -0.116 0.102 1.00 15.00 H new ATOM 0 HD1 PHE A 252 -2.750 2.436 -0.760 1.00 15.00 H new ATOM 0 HD2 PHE A 252 -2.916 -1.009 -3.259 1.00 15.00 H new ATOM 0 HE1 PHE A 252 -3.360 3.849 -2.663 1.00 15.00 H new ATOM 0 HE2 PHE A 252 -3.479 0.417 -5.181 1.00 15.00 H new ATOM 0 HZ PHE A 252 -3.715 2.850 -4.880 1.00 15.00 H new ATOM 292 N LEU A 253 -0.579 0.634 2.146 1.00 15.00 N ATOM 293 CA LEU A 253 -0.342 0.312 3.541 1.00 15.00 C ATOM 294 C LEU A 253 -1.611 0.463 4.361 1.00 15.00 C ATOM 295 O LEU A 253 -2.171 1.552 4.464 1.00 15.00 O ATOM 296 CB LEU A 253 0.732 1.221 4.133 1.00 15.00 C ATOM 297 CG LEU A 253 2.092 0.577 4.388 1.00 15.00 C ATOM 298 CD1 LEU A 253 3.027 1.592 5.011 1.00 15.00 C ATOM 299 CD2 LEU A 253 1.962 -0.627 5.305 1.00 15.00 C ATOM 0 H LEU A 253 -0.614 1.634 1.950 1.00 15.00 H new ATOM 0 HA LEU A 253 -0.008 -0.725 3.579 1.00 15.00 H new ATOM 0 HB2 LEU A 253 0.874 2.067 3.461 1.00 15.00 H new ATOM 0 HB3 LEU A 253 0.360 1.622 5.076 1.00 15.00 H new ATOM 0 HG LEU A 253 2.496 0.240 3.434 1.00 15.00 H new ATOM 0 HD11 LEU A 253 3.997 1.130 5.192 1.00 15.00 H new ATOM 0 HD12 LEU A 253 3.149 2.438 4.334 1.00 15.00 H new ATOM 0 HD13 LEU A 253 2.609 1.940 5.956 1.00 15.00 H new ATOM 0 HD21 LEU A 253 2.946 -1.067 5.470 1.00 15.00 H new ATOM 0 HD22 LEU A 253 1.540 -0.313 6.260 1.00 15.00 H new ATOM 0 HD23 LEU A 253 1.307 -1.366 4.844 1.00 15.00 H new ATOM 311 N HIS A 254 -2.064 -0.637 4.921 1.00 15.00 N ATOM 312 CA HIS A 254 -3.128 -0.620 5.910 1.00 15.00 C ATOM 313 C HIS A 254 -2.682 -1.444 7.082 1.00 15.00 C ATOM 314 O HIS A 254 -2.881 -2.662 7.096 1.00 15.00 O ATOM 315 CB HIS A 254 -4.437 -1.196 5.354 1.00 15.00 C ATOM 316 CG HIS A 254 -5.531 -1.407 6.371 1.00 15.00 C ATOM 317 ND1 HIS A 254 -6.458 -0.557 6.875 1.00 15.00 N flip ATOM 318 CD2 HIS A 254 -5.766 -2.619 6.979 1.00 15.00 C flip ATOM 319 CE1 HIS A 254 -7.224 -1.268 7.769 1.00 15.00 C flip ATOM 320 NE2 HIS A 254 -6.782 -2.508 7.813 1.00 15.00 N flip ATOM 0 H HIS A 254 -1.708 -1.569 4.707 1.00 15.00 H new ATOM 0 HA HIS A 254 -3.323 0.413 6.199 1.00 15.00 H new ATOM 0 HB2 HIS A 254 -4.809 -0.527 4.578 1.00 15.00 H new ATOM 0 HB3 HIS A 254 -4.220 -2.151 4.874 1.00 15.00 H new ATOM 0 HD2 HIS A 254 -5.204 -3.524 6.800 1.00 15.00 H new ATOM 0 HE1 HIS A 254 -8.051 -0.874 8.341 1.00 15.00 H new ATOM 0 HE2 HIS A 254 -7.161 -3.256 8.394 1.00 15.00 H new ATOM 329 N THR A 255 -2.033 -0.840 8.049 1.00 15.00 N ATOM 330 CA THR A 255 -1.597 -1.658 9.142 1.00 15.00 C ATOM 331 C THR A 255 -2.636 -1.663 10.248 1.00 15.00 C ATOM 332 O THR A 255 -2.644 -0.827 11.148 1.00 15.00 O ATOM 333 CB THR A 255 -0.236 -1.179 9.688 1.00 15.00 C ATOM 334 OG1 THR A 255 0.712 -1.110 8.613 1.00 15.00 O ATOM 335 CG2 THR A 255 0.286 -2.119 10.767 1.00 15.00 C ATOM 0 H THR A 255 -1.808 0.154 8.100 1.00 15.00 H new ATOM 0 HA THR A 255 -1.473 -2.675 8.771 1.00 15.00 H new ATOM 0 HB THR A 255 -0.372 -0.192 10.131 1.00 15.00 H new ATOM 0 HG1 THR A 255 1.577 -0.804 8.958 1.00 15.00 H new ATOM 0 HG21 THR A 255 1.246 -1.756 11.133 1.00 15.00 H new ATOM 0 HG22 THR A 255 -0.426 -2.157 11.592 1.00 15.00 H new ATOM 0 HG23 THR A 255 0.411 -3.118 10.350 1.00 15.00 H new ATOM 343 N GLN A 256 -3.554 -2.599 10.100 1.00 15.00 N ATOM 344 CA GLN A 256 -4.234 -3.249 11.194 1.00 15.00 C ATOM 345 C GLN A 256 -3.562 -4.594 11.364 1.00 15.00 C ATOM 346 O GLN A 256 -3.130 -4.992 12.446 1.00 15.00 O ATOM 347 CB GLN A 256 -5.721 -3.425 10.883 1.00 15.00 C ATOM 348 CG GLN A 256 -6.529 -4.004 12.030 1.00 15.00 C ATOM 349 CD GLN A 256 -7.958 -4.315 11.632 1.00 15.00 C ATOM 350 OE1 GLN A 256 -8.157 -4.711 10.383 1.00 15.00 O flip ATOM 351 NE2 GLN A 256 -8.875 -4.215 12.444 1.00 15.00 N flip ATOM 0 H GLN A 256 -3.853 -2.935 9.185 1.00 15.00 H new ATOM 0 HA GLN A 256 -4.173 -2.655 12.106 1.00 15.00 H new ATOM 0 HB2 GLN A 256 -6.141 -2.457 10.609 1.00 15.00 H new ATOM 0 HB3 GLN A 256 -5.825 -4.075 10.014 1.00 15.00 H new ATOM 0 HG2 GLN A 256 -6.048 -4.915 12.386 1.00 15.00 H new ATOM 0 HG3 GLN A 256 -6.532 -3.299 12.861 1.00 15.00 H new ATOM 0 HE21 GLN A 256 -8.681 -3.907 13.397 1.00 15.00 H new ATOM 0 HE22 GLN A 256 -9.830 -4.440 12.165 1.00 15.00 H new ATOM 360 N THR A 257 -3.502 -5.279 10.219 1.00 15.00 N ATOM 361 CA THR A 257 -2.913 -6.596 10.101 1.00 15.00 C ATOM 362 C THR A 257 -1.516 -6.531 9.595 1.00 15.00 C ATOM 363 O THR A 257 -0.710 -7.459 9.639 1.00 15.00 O ATOM 364 CB THR A 257 -3.793 -7.536 9.254 1.00 15.00 C ATOM 365 OG1 THR A 257 -3.877 -7.027 7.916 1.00 15.00 O ATOM 366 CG2 THR A 257 -5.202 -7.617 9.828 1.00 15.00 C ATOM 0 H THR A 257 -3.870 -4.919 9.339 1.00 15.00 H new ATOM 0 HA THR A 257 -2.865 -7.022 11.103 1.00 15.00 H new ATOM 0 HB THR A 257 -3.344 -8.529 9.261 1.00 15.00 H new ATOM 0 HG1 THR A 257 -4.435 -7.623 7.374 1.00 15.00 H new ATOM 0 HG21 THR A 257 -5.807 -8.286 9.215 1.00 15.00 H new ATOM 0 HG22 THR A 257 -5.158 -8.000 10.848 1.00 15.00 H new ATOM 0 HG23 THR A 257 -5.651 -6.624 9.832 1.00 15.00 H new ATOM 374 N GLY A 258 -1.312 -5.392 9.149 1.00 15.00 N ATOM 375 CA GLY A 258 -0.109 -5.006 8.434 1.00 15.00 C ATOM 376 C GLY A 258 -0.181 -5.296 6.943 1.00 15.00 C ATOM 377 O GLY A 258 0.481 -6.204 6.448 1.00 15.00 O ATOM 0 H GLY A 258 -1.983 -4.630 9.252 1.00 15.00 H new ATOM 0 HA2 GLY A 258 0.069 -3.941 8.583 1.00 15.00 H new ATOM 0 HA3 GLY A 258 0.744 -5.534 8.860 1.00 15.00 H new ATOM 381 N VAL A 259 -1.000 -4.535 6.230 1.00 15.00 N ATOM 382 CA VAL A 259 -1.104 -4.681 4.779 1.00 15.00 C ATOM 383 C VAL A 259 -0.119 -3.793 4.028 1.00 15.00 C ATOM 384 O VAL A 259 -0.083 -2.584 4.222 1.00 15.00 O ATOM 385 CB VAL A 259 -2.534 -4.386 4.260 1.00 15.00 C ATOM 386 CG1 VAL A 259 -2.558 -4.261 2.743 1.00 15.00 C ATOM 387 CG2 VAL A 259 -3.464 -5.493 4.695 1.00 15.00 C ATOM 0 H VAL A 259 -1.601 -3.813 6.627 1.00 15.00 H new ATOM 0 HA VAL A 259 -0.858 -5.725 4.582 1.00 15.00 H new ATOM 0 HB VAL A 259 -2.863 -3.436 4.682 1.00 15.00 H new ATOM 0 HG11 VAL A 259 -3.575 -4.054 2.411 1.00 15.00 H new ATOM 0 HG12 VAL A 259 -1.903 -3.446 2.435 1.00 15.00 H new ATOM 0 HG13 VAL A 259 -2.213 -5.193 2.296 1.00 15.00 H new ATOM 0 HG21 VAL A 259 -4.470 -5.287 4.331 1.00 15.00 H new ATOM 0 HG22 VAL A 259 -3.117 -6.442 4.285 1.00 15.00 H new ATOM 0 HG23 VAL A 259 -3.477 -5.551 5.783 1.00 15.00 H new ATOM 397 N SER A 260 0.664 -4.432 3.176 1.00 15.00 N ATOM 398 CA SER A 260 1.482 -3.749 2.167 1.00 15.00 C ATOM 399 C SER A 260 1.379 -4.538 0.875 1.00 15.00 C ATOM 400 O SER A 260 1.983 -5.603 0.734 1.00 15.00 O ATOM 401 CB SER A 260 2.953 -3.604 2.592 1.00 15.00 C ATOM 402 OG SER A 260 3.347 -4.683 3.426 1.00 15.00 O ATOM 0 H SER A 260 0.756 -5.448 3.158 1.00 15.00 H new ATOM 0 HA SER A 260 1.105 -2.734 2.039 1.00 15.00 H new ATOM 0 HB2 SER A 260 3.590 -3.571 1.708 1.00 15.00 H new ATOM 0 HB3 SER A 260 3.092 -2.661 3.120 1.00 15.00 H new ATOM 0 HG SER A 260 4.286 -4.572 3.683 1.00 15.00 H new ATOM 408 N THR A 261 0.577 -4.046 -0.047 1.00 15.00 N ATOM 409 CA THR A 261 0.205 -4.842 -1.201 1.00 15.00 C ATOM 410 C THR A 261 0.221 -4.030 -2.490 1.00 15.00 C ATOM 411 O THR A 261 0.015 -2.813 -2.476 1.00 15.00 O ATOM 412 CB THR A 261 -1.185 -5.482 -0.996 1.00 15.00 C ATOM 413 OG1 THR A 261 -1.486 -6.368 -2.079 1.00 15.00 O ATOM 414 CG2 THR A 261 -2.273 -4.421 -0.883 1.00 15.00 C ATOM 0 H THR A 261 0.174 -3.110 -0.022 1.00 15.00 H new ATOM 0 HA THR A 261 0.952 -5.629 -1.298 1.00 15.00 H new ATOM 0 HB THR A 261 -1.158 -6.045 -0.063 1.00 15.00 H new ATOM 0 HG1 THR A 261 -1.623 -7.274 -1.732 1.00 15.00 H new ATOM 0 HG21 THR A 261 -3.239 -4.905 -0.739 1.00 15.00 H new ATOM 0 HG22 THR A 261 -2.062 -3.772 -0.033 1.00 15.00 H new ATOM 0 HG23 THR A 261 -2.297 -3.826 -1.796 1.00 15.00 H new ATOM 422 N TRP A 262 0.504 -4.718 -3.595 1.00 15.00 N ATOM 423 CA TRP A 262 0.537 -4.098 -4.911 1.00 15.00 C ATOM 424 C TRP A 262 -0.862 -3.732 -5.398 1.00 15.00 C ATOM 425 O TRP A 262 -1.036 -2.761 -6.132 1.00 15.00 O ATOM 426 CB TRP A 262 1.175 -5.040 -5.934 1.00 15.00 C ATOM 427 CG TRP A 262 2.646 -5.253 -5.768 1.00 15.00 C ATOM 428 CD1 TRP A 262 3.288 -6.413 -5.447 1.00 15.00 C ATOM 429 CD2 TRP A 262 3.660 -4.275 -5.817 1.00 15.00 C ATOM 430 NE1 TRP A 262 4.617 -6.255 -5.457 1.00 15.00 N ATOM 431 CE2 TRP A 262 4.875 -4.961 -5.641 1.00 15.00 C ATOM 432 CE3 TRP A 262 3.690 -2.899 -6.024 1.00 15.00 C ATOM 433 CZ2 TRP A 262 6.068 -4.341 -5.653 1.00 15.00 C ATOM 434 CZ3 TRP A 262 4.914 -2.283 -5.984 1.00 15.00 C ATOM 435 CH2 TRP A 262 6.068 -3.032 -5.799 1.00 15.00 C ATOM 0 H TRP A 262 0.715 -5.716 -3.600 1.00 15.00 H new ATOM 0 HA TRP A 262 1.130 -3.188 -4.816 1.00 15.00 H new ATOM 0 HB2 TRP A 262 0.675 -6.007 -5.876 1.00 15.00 H new ATOM 0 HB3 TRP A 262 0.991 -4.645 -6.933 1.00 15.00 H new ATOM 0 HD1 TRP A 262 2.787 -7.341 -5.214 1.00 15.00 H new ATOM 0 HE1 TRP A 262 5.310 -6.995 -5.344 1.00 15.00 H new ATOM 0 HE3 TRP A 262 2.785 -2.339 -6.209 1.00 15.00 H new ATOM 0 HZ2 TRP A 262 6.989 -4.894 -5.547 1.00 15.00 H new ATOM 0 HZ3 TRP A 262 4.981 -1.211 -6.097 1.00 15.00 H new ATOM 0 HH2 TRP A 262 7.015 -2.514 -5.773 1.00 15.00 H new ATOM 446 N HIS A 263 -1.855 -4.533 -5.028 1.00 15.00 N ATOM 447 CA HIS A 263 -3.207 -4.318 -5.532 1.00 15.00 C ATOM 448 C HIS A 263 -3.912 -3.264 -4.696 1.00 15.00 C ATOM 449 O HIS A 263 -3.844 -3.288 -3.465 1.00 15.00 O ATOM 450 CB HIS A 263 -4.029 -5.627 -5.561 1.00 15.00 C ATOM 451 CG HIS A 263 -4.695 -5.999 -4.262 1.00 15.00 C ATOM 452 ND1 HIS A 263 -6.028 -5.743 -3.995 1.00 15.00 N ATOM 453 CD2 HIS A 263 -4.206 -6.602 -3.155 1.00 15.00 C ATOM 454 CE1 HIS A 263 -6.320 -6.170 -2.779 1.00 15.00 C ATOM 455 NE2 HIS A 263 -5.232 -6.695 -2.251 1.00 15.00 N ATOM 0 H HIS A 263 -1.754 -5.324 -4.392 1.00 15.00 H new ATOM 0 HA HIS A 263 -3.126 -3.966 -6.560 1.00 15.00 H new ATOM 0 HB2 HIS A 263 -4.796 -5.538 -6.331 1.00 15.00 H new ATOM 0 HB3 HIS A 263 -3.371 -6.443 -5.859 1.00 15.00 H new ATOM 0 HD1 HIS A 263 -6.683 -5.295 -4.636 1.00 15.00 H new ATOM 0 HD2 HIS A 263 -3.193 -6.947 -3.010 1.00 15.00 H new ATOM 0 HE1 HIS A 263 -7.285 -6.101 -2.300 1.00 15.00 H new ATOM 464 N ASP A 264 -4.576 -2.338 -5.369 1.00 15.00 N ATOM 465 CA ASP A 264 -5.421 -1.369 -4.693 1.00 15.00 C ATOM 466 C ASP A 264 -6.448 -2.119 -3.854 1.00 15.00 C ATOM 467 O ASP A 264 -7.070 -3.060 -4.320 1.00 15.00 O ATOM 468 CB ASP A 264 -6.097 -0.458 -5.723 1.00 15.00 C ATOM 469 CG ASP A 264 -6.900 0.659 -5.097 1.00 15.00 C ATOM 470 OD1 ASP A 264 -7.975 0.382 -4.528 1.00 15.00 O1- ATOM 471 OD2 ASP A 264 -6.469 1.828 -5.197 1.00 15.00 O ATOM 0 H ASP A 264 -4.546 -2.238 -6.384 1.00 15.00 H new ATOM 0 HA ASP A 264 -4.824 -0.737 -4.036 1.00 15.00 H new ATOM 0 HB2 ASP A 264 -5.335 -0.028 -6.373 1.00 15.00 H new ATOM 0 HB3 ASP A 264 -6.753 -1.058 -6.354 1.00 15.00 H new ATOM 476 N PRO A 265 -6.626 -1.744 -2.595 1.00 15.00 N ATOM 477 CA PRO A 265 -7.459 -2.514 -1.684 1.00 15.00 C ATOM 478 C PRO A 265 -8.936 -2.334 -1.924 1.00 15.00 C ATOM 479 O PRO A 265 -9.759 -3.095 -1.418 1.00 15.00 O ATOM 480 CB PRO A 265 -7.064 -1.986 -0.321 1.00 15.00 C ATOM 481 CG PRO A 265 -6.629 -0.583 -0.574 1.00 15.00 C ATOM 482 CD PRO A 265 -6.037 -0.561 -1.952 1.00 15.00 C ATOM 0 HA PRO A 265 -7.302 -3.585 -1.807 1.00 15.00 H new ATOM 0 HB2 PRO A 265 -7.901 -2.022 0.376 1.00 15.00 H new ATOM 0 HB3 PRO A 265 -6.260 -2.578 0.116 1.00 15.00 H new ATOM 0 HG2 PRO A 265 -7.473 0.103 -0.504 1.00 15.00 H new ATOM 0 HG3 PRO A 265 -5.897 -0.264 0.168 1.00 15.00 H new ATOM 0 HD2 PRO A 265 -6.293 0.355 -2.485 1.00 15.00 H new ATOM 0 HD3 PRO A 265 -4.949 -0.619 -1.923 1.00 15.00 H new ATOM 490 N ARG A 266 -9.268 -1.320 -2.678 1.00 15.00 N ATOM 491 CA ARG A 266 -10.631 -1.099 -3.065 1.00 15.00 C ATOM 492 C ARG A 266 -10.938 -1.996 -4.244 1.00 15.00 C ATOM 493 O ARG A 266 -12.077 -2.104 -4.704 1.00 15.00 O ATOM 494 CB ARG A 266 -10.813 0.351 -3.431 1.00 15.00 C ATOM 495 CG ARG A 266 -12.262 0.790 -3.475 1.00 15.00 C ATOM 496 CD ARG A 266 -12.905 0.788 -2.098 1.00 15.00 C ATOM 497 NE ARG A 266 -14.311 1.174 -2.160 1.00 15.00 N ATOM 498 CZ ARG A 266 -14.936 1.896 -1.231 1.00 15.00 C ATOM 499 NH1 ARG A 266 -14.286 2.320 -0.153 1.00 15.00 N1+ ATOM 500 NH2 ARG A 266 -16.216 2.192 -1.390 1.00 15.00 N ATOM 0 H ARG A 266 -8.607 -0.631 -3.037 1.00 15.00 H new ATOM 0 HA ARG A 266 -11.312 -1.333 -2.247 1.00 15.00 H new ATOM 0 HB2 ARG A 266 -10.277 0.969 -2.710 1.00 15.00 H new ATOM 0 HB3 ARG A 266 -10.358 0.531 -4.405 1.00 15.00 H new ATOM 0 HG2 ARG A 266 -12.324 1.791 -3.901 1.00 15.00 H new ATOM 0 HG3 ARG A 266 -12.821 0.127 -4.136 1.00 15.00 H new ATOM 0 HD2 ARG A 266 -12.819 -0.205 -1.657 1.00 15.00 H new ATOM 0 HD3 ARG A 266 -12.367 1.474 -1.444 1.00 15.00 H new ATOM 0 HE ARG A 266 -14.852 0.870 -2.970 1.00 15.00 H new ATOM 0 HH11 ARG A 266 -13.299 2.093 -0.031 1.00 15.00 H new ATOM 0 HH12 ARG A 266 -14.774 2.872 0.552 1.00 15.00 H new ATOM 0 HH21 ARG A 266 -16.715 1.868 -2.218 1.00 15.00 H new ATOM 0 HH22 ARG A 266 -16.703 2.744 -0.684 1.00 15.00 H new ATOM 514 N ILE A 267 -9.885 -2.628 -4.726 1.00 15.00 N ATOM 515 CA ILE A 267 -9.999 -3.608 -5.804 1.00 15.00 C ATOM 516 C ILE A 267 -9.450 -4.969 -5.364 1.00 15.00 C ATOM 517 O ILE A 267 -8.247 -5.248 -5.556 1.00 15.00 O ATOM 518 CB ILE A 267 -9.348 -3.150 -7.149 1.00 15.00 C ATOM 519 CG1 ILE A 267 -7.862 -2.771 -7.007 1.00 15.00 C ATOM 520 CG2 ILE A 267 -10.129 -1.980 -7.732 1.00 15.00 C ATOM 521 CD1 ILE A 267 -7.192 -2.463 -8.330 1.00 15.00 C ATOM 522 OXT ILE A 267 -10.236 -5.752 -4.793 1.00 15.00 O ATOM 0 H ILE A 267 -8.933 -2.483 -4.390 1.00 15.00 H new ATOM 0 HA ILE A 267 -11.065 -3.702 -6.009 1.00 15.00 H new ATOM 0 HB ILE A 267 -9.390 -4.005 -7.824 1.00 15.00 H new ATOM 0 HG12 ILE A 267 -7.777 -1.903 -6.354 1.00 15.00 H new ATOM 0 HG13 ILE A 267 -7.331 -3.589 -6.521 1.00 15.00 H new ATOM 0 HG21 ILE A 267 -9.669 -1.667 -8.669 1.00 15.00 H new ATOM 0 HG22 ILE A 267 -11.159 -2.286 -7.918 1.00 15.00 H new ATOM 0 HG23 ILE A 267 -10.119 -1.149 -7.027 1.00 15.00 H new ATOM 0 HD11 ILE A 267 -6.147 -2.204 -8.157 1.00 15.00 H new ATOM 0 HD12 ILE A 267 -7.246 -3.338 -8.978 1.00 15.00 H new ATOM 0 HD13 ILE A 267 -7.699 -1.625 -8.808 1.00 15.00 H new ATOM 535 N SER B 210 8.328 5.276 12.037 1.00 15.00 N ATOM 536 CA SER B 210 8.156 3.836 11.767 1.00 15.00 C ATOM 537 C SER B 210 8.387 3.537 10.290 1.00 15.00 C ATOM 538 O SER B 210 7.700 4.074 9.418 1.00 15.00 O ATOM 539 CB SER B 210 6.753 3.404 12.190 1.00 15.00 C ATOM 540 OG SER B 210 5.775 4.319 11.722 1.00 15.00 O ATOM 0 HA SER B 210 8.891 3.274 12.342 1.00 15.00 H new ATOM 0 HB2 SER B 210 6.542 2.409 11.798 1.00 15.00 H new ATOM 0 HB3 SER B 210 6.702 3.336 13.277 1.00 15.00 H new ATOM 0 HG SER B 210 6.170 5.214 11.655 1.00 15.00 H new ATOM 548 N ASP B 211 9.349 2.670 10.011 1.00 15.00 N ATOM 549 CA ASP B 211 9.734 2.378 8.640 1.00 15.00 C ATOM 550 C ASP B 211 8.926 1.216 8.072 1.00 15.00 C ATOM 551 O ASP B 211 8.956 0.101 8.597 1.00 15.00 O ATOM 552 CB ASP B 211 11.237 2.068 8.564 1.00 15.00 C ATOM 553 CG ASP B 211 11.653 0.898 9.441 1.00 15.00 C ATOM 554 OD1 ASP B 211 11.749 1.079 10.675 1.00 15.00 O ATOM 555 OD2 ASP B 211 11.903 -0.201 8.903 1.00 15.00 O1- ATOM 0 H ASP B 211 9.877 2.157 10.717 1.00 15.00 H new ATOM 0 HA ASP B 211 9.522 3.261 8.037 1.00 15.00 H new ATOM 0 HB2 ASP B 211 11.505 1.852 7.530 1.00 15.00 H new ATOM 0 HB3 ASP B 211 11.799 2.954 8.860 1.00 15.00 H new ATOM 560 N PRO B 212 8.152 1.478 7.009 1.00 15.00 N ATOM 561 CA PRO B 212 7.455 0.442 6.269 1.00 15.00 C ATOM 562 C PRO B 212 8.314 -0.096 5.138 1.00 15.00 C ATOM 563 O PRO B 212 9.064 0.654 4.506 1.00 15.00 O ATOM 564 CB PRO B 212 6.237 1.166 5.691 1.00 15.00 C ATOM 565 CG PRO B 212 6.476 2.635 5.879 1.00 15.00 C ATOM 566 CD PRO B 212 7.860 2.804 6.461 1.00 15.00 C ATOM 0 HA PRO B 212 7.199 -0.411 6.897 1.00 15.00 H new ATOM 0 HB2 PRO B 212 6.110 0.927 4.635 1.00 15.00 H new ATOM 0 HB3 PRO B 212 5.325 0.855 6.200 1.00 15.00 H new ATOM 0 HG2 PRO B 212 6.394 3.161 4.928 1.00 15.00 H new ATOM 0 HG3 PRO B 212 5.726 3.062 6.545 1.00 15.00 H new ATOM 0 HD2 PRO B 212 8.585 3.095 5.700 1.00 15.00 H new ATOM 0 HD3 PRO B 212 7.882 3.573 7.233 1.00 15.00 H new ATOM 574 N GLY B 213 8.178 -1.374 4.851 1.00 15.00 N ATOM 575 CA GLY B 213 8.963 -1.965 3.800 1.00 15.00 C ATOM 576 C GLY B 213 8.269 -1.869 2.464 1.00 15.00 C ATOM 577 O GLY B 213 7.051 -1.678 2.397 1.00 15.00 O ATOM 0 H GLY B 213 7.539 -2.012 5.326 1.00 15.00 H new ATOM 0 HA2 GLY B 213 9.931 -1.466 3.744 1.00 15.00 H new ATOM 0 HA3 GLY B 213 9.157 -3.012 4.035 1.00 15.00 H new