USER MOD reduce.3.24.130724 H: found=0, std=0, add=267, rem=0, adj=10 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 130:sc= -0.47 USER MOD Set 1.2: A 263 HIS : no HE2:sc= 0.111 K(o=-0.36,f=-1.2!) USER MOD Single : A 240 TYR OH : rot 180:sc= 0 USER MOD Single : A 242 GLN : amide:sc= -0.497 X(o=-0.5,f=-0.12) USER MOD Single : A 244 THR OG1 : rot 180:sc= 0 USER MOD Single : A 245 THR OG1 : rot 160:sc= -1.49! USER MOD Single : A 247 GLN : amide:sc=-0.00807 K(o=-0.0081,f=-2.3!) USER MOD Single : A 249 GLN : amide:sc= -1.74 X(o=-1.7,f=-1.6) USER MOD Single : A 251 TYR OH : rot 180:sc= 0 USER MOD Single : A 254 HIS : no HD1:sc= -1.07 X(o=-1.1,f=-1) USER MOD Single : A 255 THR OG1 : rot 180:sc= 0 USER MOD Single : A 256 GLN : amide:sc=-0.00358 X(o=-0.0036,f=-0.0036) USER MOD Single : A 257 THR OG1 : rot 180:sc= 0 USER MOD Single : A 260 SER OG : rot 43:sc= 0.391 USER MOD Single : B 210 SER OG : rot 25:sc= 0.16 USER MOD ----------------------------------------------------------------- ATOM 18 N LEU A 236 -9.592 4.929 -1.721 1.00 15.00 N ATOM 19 CA LEU A 236 -9.514 3.752 -0.870 1.00 15.00 C ATOM 20 C LEU A 236 -10.462 3.892 0.303 1.00 15.00 C ATOM 21 O LEU A 236 -10.825 4.999 0.699 1.00 15.00 O ATOM 22 CB LEU A 236 -8.098 3.520 -0.296 1.00 15.00 C ATOM 23 CG LEU A 236 -6.903 3.763 -1.227 1.00 15.00 C ATOM 24 CD1 LEU A 236 -7.095 3.061 -2.554 1.00 15.00 C ATOM 25 CD2 LEU A 236 -6.671 5.248 -1.422 1.00 15.00 C ATOM 0 HA LEU A 236 -9.781 2.905 -1.502 1.00 15.00 H new ATOM 0 HB2 LEU A 236 -7.980 4.163 0.576 1.00 15.00 H new ATOM 0 HB3 LEU A 236 -8.044 2.490 0.058 1.00 15.00 H new ATOM 0 HG LEU A 236 -6.015 3.341 -0.757 1.00 15.00 H new ATOM 0 HD11 LEU A 236 -6.233 3.250 -3.194 1.00 15.00 H new ATOM 0 HD12 LEU A 236 -7.194 1.988 -2.387 1.00 15.00 H new ATOM 0 HD13 LEU A 236 -7.996 3.438 -3.038 1.00 15.00 H new ATOM 0 HD21 LEU A 236 -5.819 5.399 -2.085 1.00 15.00 H new ATOM 0 HD22 LEU A 236 -7.559 5.700 -1.863 1.00 15.00 H new ATOM 0 HD23 LEU A 236 -6.467 5.714 -0.458 1.00 15.00 H new ATOM 37 N PRO A 237 -10.836 2.761 0.891 1.00 15.00 N ATOM 38 CA PRO A 237 -11.489 2.730 2.194 1.00 15.00 C ATOM 39 C PRO A 237 -10.520 3.127 3.278 1.00 15.00 C ATOM 40 O PRO A 237 -9.327 3.329 3.043 1.00 15.00 O ATOM 41 CB PRO A 237 -11.924 1.266 2.357 1.00 15.00 C ATOM 42 CG PRO A 237 -11.770 0.642 1.007 1.00 15.00 C ATOM 43 CD PRO A 237 -10.704 1.424 0.299 1.00 15.00 C ATOM 0 HA PRO A 237 -12.327 3.424 2.265 1.00 15.00 H new ATOM 0 HB2 PRO A 237 -11.307 0.755 3.096 1.00 15.00 H new ATOM 0 HB3 PRO A 237 -12.956 1.201 2.702 1.00 15.00 H new ATOM 0 HG2 PRO A 237 -11.489 -0.408 1.094 1.00 15.00 H new ATOM 0 HG3 PRO A 237 -12.709 0.676 0.454 1.00 15.00 H new ATOM 0 HD2 PRO A 237 -9.713 1.003 0.468 1.00 15.00 H new ATOM 0 HD3 PRO A 237 -10.863 1.441 -0.779 1.00 15.00 H new ATOM 51 N GLU A 238 -11.053 3.247 4.448 1.00 15.00 N ATOM 52 CA GLU A 238 -10.307 3.760 5.586 1.00 15.00 C ATOM 53 C GLU A 238 -9.227 2.776 6.042 1.00 15.00 C ATOM 54 O GLU A 238 -9.419 1.557 6.036 1.00 15.00 O ATOM 55 CB GLU A 238 -11.260 4.062 6.750 1.00 15.00 C ATOM 56 CG GLU A 238 -12.000 2.844 7.290 1.00 15.00 C ATOM 57 CD GLU A 238 -13.308 2.558 6.570 1.00 15.00 C ATOM 58 OE1 GLU A 238 -13.283 2.232 5.367 1.00 15.00 O1- ATOM 59 OE2 GLU A 238 -14.373 2.650 7.215 1.00 15.00 O ATOM 0 H GLU A 238 -12.019 2.996 4.659 1.00 15.00 H new ATOM 0 HA GLU A 238 -9.814 4.679 5.271 1.00 15.00 H new ATOM 0 HB2 GLU A 238 -10.691 4.515 7.561 1.00 15.00 H new ATOM 0 HB3 GLU A 238 -11.992 4.801 6.422 1.00 15.00 H new ATOM 0 HG2 GLU A 238 -11.352 1.971 7.210 1.00 15.00 H new ATOM 0 HG3 GLU A 238 -12.204 2.994 8.350 1.00 15.00 H new ATOM 66 N GLY A 239 -8.090 3.331 6.448 1.00 15.00 N ATOM 67 CA GLY A 239 -7.000 2.525 6.965 1.00 15.00 C ATOM 68 C GLY A 239 -5.892 2.264 5.956 1.00 15.00 C ATOM 69 O GLY A 239 -4.940 1.546 6.263 1.00 15.00 O ATOM 0 H GLY A 239 -7.903 4.334 6.428 1.00 15.00 H new ATOM 0 HA2 GLY A 239 -6.574 3.023 7.836 1.00 15.00 H new ATOM 0 HA3 GLY A 239 -7.398 1.570 7.307 1.00 15.00 H new ATOM 73 N TYR A 240 -5.992 2.839 4.760 1.00 15.00 N ATOM 74 CA TYR A 240 -4.946 2.654 3.751 1.00 15.00 C ATOM 75 C TYR A 240 -4.184 3.943 3.506 1.00 15.00 C ATOM 76 O TYR A 240 -4.773 4.976 3.189 1.00 15.00 O ATOM 77 CB TYR A 240 -5.518 2.163 2.415 1.00 15.00 C ATOM 78 CG TYR A 240 -6.352 0.920 2.538 1.00 15.00 C ATOM 79 CD1 TYR A 240 -5.763 -0.308 2.767 1.00 15.00 C ATOM 80 CD2 TYR A 240 -7.728 0.979 2.453 1.00 15.00 C ATOM 81 CE1 TYR A 240 -6.526 -1.447 2.910 1.00 15.00 C ATOM 82 CE2 TYR A 240 -8.500 -0.146 2.602 1.00 15.00 C ATOM 83 CZ TYR A 240 -7.898 -1.360 2.832 1.00 15.00 C ATOM 84 OH TYR A 240 -8.668 -2.490 2.984 1.00 15.00 O ATOM 0 H TYR A 240 -6.772 3.428 4.466 1.00 15.00 H new ATOM 0 HA TYR A 240 -4.270 1.896 4.148 1.00 15.00 H new ATOM 0 HB2 TYR A 240 -6.124 2.955 1.976 1.00 15.00 H new ATOM 0 HB3 TYR A 240 -4.696 1.972 1.726 1.00 15.00 H new ATOM 0 HD1 TYR A 240 -4.687 -0.377 2.835 1.00 15.00 H new ATOM 0 HD2 TYR A 240 -8.207 1.929 2.266 1.00 15.00 H new ATOM 0 HE1 TYR A 240 -6.051 -2.401 3.082 1.00 15.00 H new ATOM 0 HE2 TYR A 240 -9.576 -0.078 2.539 1.00 15.00 H new ATOM 0 HH TYR A 240 -9.616 -2.254 2.902 1.00 15.00 H new ATOM 94 N GLU A 241 -2.873 3.872 3.645 1.00 15.00 N ATOM 95 CA GLU A 241 -2.003 4.963 3.258 1.00 15.00 C ATOM 96 C GLU A 241 -1.229 4.567 2.005 1.00 15.00 C ATOM 97 O GLU A 241 -0.547 3.539 1.975 1.00 15.00 O ATOM 98 CB GLU A 241 -1.049 5.349 4.399 1.00 15.00 C ATOM 99 CG GLU A 241 -0.283 4.181 5.000 1.00 15.00 C ATOM 100 CD GLU A 241 0.717 4.624 6.049 1.00 15.00 C ATOM 101 OE1 GLU A 241 0.296 4.971 7.171 1.00 15.00 O ATOM 102 OE2 GLU A 241 1.930 4.635 5.756 1.00 15.00 O1- ATOM 0 H GLU A 241 -2.385 3.062 4.027 1.00 15.00 H new ATOM 0 HA GLU A 241 -2.611 5.841 3.041 1.00 15.00 H new ATOM 0 HB2 GLU A 241 -0.334 6.083 4.026 1.00 15.00 H new ATOM 0 HB3 GLU A 241 -1.623 5.835 5.188 1.00 15.00 H new ATOM 0 HG2 GLU A 241 -0.988 3.480 5.447 1.00 15.00 H new ATOM 0 HG3 GLU A 241 0.239 3.646 4.207 1.00 15.00 H new ATOM 109 N GLN A 242 -1.355 5.366 0.964 1.00 15.00 N ATOM 110 CA GLN A 242 -0.703 5.064 -0.296 1.00 15.00 C ATOM 111 C GLN A 242 0.679 5.689 -0.305 1.00 15.00 C ATOM 112 O GLN A 242 0.821 6.908 -0.393 1.00 15.00 O ATOM 113 CB GLN A 242 -1.564 5.574 -1.459 1.00 15.00 C ATOM 114 CG GLN A 242 -1.195 5.027 -2.837 1.00 15.00 C ATOM 115 CD GLN A 242 -0.066 5.781 -3.517 1.00 15.00 C ATOM 116 OE1 GLN A 242 -0.294 6.777 -4.202 1.00 15.00 O ATOM 117 NE2 GLN A 242 1.152 5.295 -3.366 1.00 15.00 N ATOM 0 H GLN A 242 -1.901 6.227 0.965 1.00 15.00 H new ATOM 0 HA GLN A 242 -0.590 3.986 -0.414 1.00 15.00 H new ATOM 0 HB2 GLN A 242 -2.605 5.324 -1.255 1.00 15.00 H new ATOM 0 HB3 GLN A 242 -1.497 6.662 -1.489 1.00 15.00 H new ATOM 0 HG2 GLN A 242 -0.910 3.980 -2.737 1.00 15.00 H new ATOM 0 HG3 GLN A 242 -2.077 5.058 -3.477 1.00 15.00 H new ATOM 0 HE21 GLN A 242 1.303 4.467 -2.790 1.00 15.00 H new ATOM 0 HE22 GLN A 242 1.942 5.748 -3.825 1.00 15.00 H new ATOM 126 N ARG A 243 1.694 4.854 -0.167 1.00 15.00 N ATOM 127 CA ARG A 243 3.059 5.349 -0.108 1.00 15.00 C ATOM 128 C ARG A 243 3.757 5.242 -1.437 1.00 15.00 C ATOM 129 O ARG A 243 3.529 4.320 -2.226 1.00 15.00 O ATOM 130 CB ARG A 243 3.896 4.639 0.952 1.00 15.00 C ATOM 131 CG ARG A 243 3.810 5.294 2.306 1.00 15.00 C ATOM 132 CD ARG A 243 4.727 4.616 3.308 1.00 15.00 C ATOM 133 NE ARG A 243 4.365 4.942 4.683 1.00 15.00 N ATOM 134 CZ ARG A 243 5.138 5.626 5.521 1.00 15.00 C ATOM 135 NH1 ARG A 243 6.350 6.019 5.149 1.00 15.00 N1+ ATOM 136 NH2 ARG A 243 4.703 5.909 6.739 1.00 15.00 N ATOM 0 H ARG A 243 1.602 3.841 -0.094 1.00 15.00 H new ATOM 0 HA ARG A 243 2.971 6.400 0.166 1.00 15.00 H new ATOM 0 HB2 ARG A 243 3.566 3.603 1.034 1.00 15.00 H new ATOM 0 HB3 ARG A 243 4.937 4.617 0.630 1.00 15.00 H new ATOM 0 HG2 ARG A 243 4.078 6.347 2.220 1.00 15.00 H new ATOM 0 HG3 ARG A 243 2.782 5.255 2.666 1.00 15.00 H new ATOM 0 HD2 ARG A 243 4.683 3.536 3.167 1.00 15.00 H new ATOM 0 HD3 ARG A 243 5.757 4.920 3.122 1.00 15.00 H new ATOM 0 HE ARG A 243 3.458 4.624 5.024 1.00 15.00 H new ATOM 0 HH11 ARG A 243 6.694 5.797 4.215 1.00 15.00 H new ATOM 0 HH12 ARG A 243 6.937 6.543 5.797 1.00 15.00 H new ATOM 0 HH21 ARG A 243 3.776 5.602 7.033 1.00 15.00 H new ATOM 0 HH22 ARG A 243 5.295 6.434 7.383 1.00 15.00 H new ATOM 150 N THR A 244 4.639 6.185 -1.636 1.00 15.00 N ATOM 151 CA THR A 244 5.452 6.260 -2.829 1.00 15.00 C ATOM 152 C THR A 244 6.912 6.112 -2.438 1.00 15.00 C ATOM 153 O THR A 244 7.319 6.549 -1.360 1.00 15.00 O ATOM 154 CB THR A 244 5.228 7.587 -3.584 1.00 15.00 C ATOM 155 OG1 THR A 244 5.348 8.697 -2.681 1.00 15.00 O ATOM 156 CG2 THR A 244 3.855 7.608 -4.246 1.00 15.00 C ATOM 0 H THR A 244 4.818 6.934 -0.968 1.00 15.00 H new ATOM 0 HA THR A 244 5.164 5.453 -3.503 1.00 15.00 H new ATOM 0 HB THR A 244 5.990 7.670 -4.359 1.00 15.00 H new ATOM 0 HG1 THR A 244 5.206 9.534 -3.171 1.00 15.00 H new ATOM 0 HG21 THR A 244 3.719 8.553 -4.772 1.00 15.00 H new ATOM 0 HG22 THR A 244 3.780 6.784 -4.955 1.00 15.00 H new ATOM 0 HG23 THR A 244 3.082 7.503 -3.485 1.00 15.00 H new ATOM 164 N THR A 245 7.691 5.490 -3.295 1.00 15.00 N ATOM 165 CA THR A 245 9.055 5.150 -2.957 1.00 15.00 C ATOM 166 C THR A 245 9.961 5.280 -4.169 1.00 15.00 C ATOM 167 O THR A 245 9.515 5.110 -5.306 1.00 15.00 O ATOM 168 CB THR A 245 9.139 3.720 -2.378 1.00 15.00 C ATOM 169 OG1 THR A 245 10.498 3.366 -2.104 1.00 15.00 O ATOM 170 CG2 THR A 245 8.526 2.702 -3.331 1.00 15.00 C ATOM 0 H THR A 245 7.403 5.209 -4.232 1.00 15.00 H new ATOM 0 HA THR A 245 9.394 5.852 -2.195 1.00 15.00 H new ATOM 0 HB THR A 245 8.572 3.709 -1.447 1.00 15.00 H new ATOM 0 HG1 THR A 245 10.520 2.625 -1.463 1.00 15.00 H new ATOM 0 HG21 THR A 245 8.600 1.705 -2.896 1.00 15.00 H new ATOM 0 HG22 THR A 245 7.477 2.947 -3.500 1.00 15.00 H new ATOM 0 HG23 THR A 245 9.061 2.724 -4.280 1.00 15.00 H new ATOM 178 N VAL A 246 11.225 5.603 -3.915 1.00 15.00 N ATOM 179 CA VAL A 246 12.237 5.725 -4.965 1.00 15.00 C ATOM 180 C VAL A 246 12.314 4.472 -5.832 1.00 15.00 C ATOM 181 O VAL A 246 12.842 4.503 -6.941 1.00 15.00 O ATOM 182 CB VAL A 246 13.627 5.992 -4.367 1.00 15.00 C ATOM 183 CG1 VAL A 246 13.729 7.423 -3.863 1.00 15.00 C ATOM 184 CG2 VAL A 246 13.927 5.010 -3.244 1.00 15.00 C ATOM 0 H VAL A 246 11.579 5.788 -2.977 1.00 15.00 H new ATOM 0 HA VAL A 246 11.933 6.568 -5.586 1.00 15.00 H new ATOM 0 HB VAL A 246 14.368 5.851 -5.154 1.00 15.00 H new ATOM 0 HG11 VAL A 246 14.721 7.591 -3.444 1.00 15.00 H new ATOM 0 HG12 VAL A 246 13.563 8.113 -4.690 1.00 15.00 H new ATOM 0 HG13 VAL A 246 12.976 7.592 -3.093 1.00 15.00 H new ATOM 0 HG21 VAL A 246 14.916 5.217 -2.835 1.00 15.00 H new ATOM 0 HG22 VAL A 246 13.179 5.117 -2.458 1.00 15.00 H new ATOM 0 HG23 VAL A 246 13.901 3.992 -3.634 1.00 15.00 H new ATOM 194 N GLN A 247 11.794 3.373 -5.303 1.00 15.00 N ATOM 195 CA GLN A 247 11.693 2.114 -6.037 1.00 15.00 C ATOM 196 C GLN A 247 10.865 2.290 -7.311 1.00 15.00 C ATOM 197 O GLN A 247 10.939 1.473 -8.225 1.00 15.00 O ATOM 198 CB GLN A 247 11.053 1.039 -5.152 1.00 15.00 C ATOM 199 CG GLN A 247 11.685 0.936 -3.776 1.00 15.00 C ATOM 200 CD GLN A 247 13.157 0.585 -3.826 1.00 15.00 C ATOM 201 OE1 GLN A 247 14.014 1.461 -3.946 1.00 15.00 O ATOM 202 NE2 GLN A 247 13.462 -0.697 -3.712 1.00 15.00 N ATOM 0 H GLN A 247 11.429 3.327 -4.352 1.00 15.00 H new ATOM 0 HA GLN A 247 12.699 1.802 -6.316 1.00 15.00 H new ATOM 0 HB2 GLN A 247 9.991 1.256 -5.040 1.00 15.00 H new ATOM 0 HB3 GLN A 247 11.130 0.074 -5.652 1.00 15.00 H new ATOM 0 HG2 GLN A 247 11.561 1.884 -3.253 1.00 15.00 H new ATOM 0 HG3 GLN A 247 11.156 0.180 -3.195 1.00 15.00 H new ATOM 0 HE21 GLN A 247 12.721 -1.391 -3.614 1.00 15.00 H new ATOM 0 HE22 GLN A 247 14.438 -0.992 -3.722 1.00 15.00 H new ATOM 211 N GLY A 248 10.050 3.341 -7.341 1.00 15.00 N ATOM 212 CA GLY A 248 9.269 3.651 -8.525 1.00 15.00 C ATOM 213 C GLY A 248 7.973 2.871 -8.586 1.00 15.00 C ATOM 214 O GLY A 248 7.427 2.641 -9.665 1.00 15.00 O ATOM 0 H GLY A 248 9.917 3.986 -6.562 1.00 15.00 H new ATOM 0 HA2 GLY A 248 9.048 4.718 -8.541 1.00 15.00 H new ATOM 0 HA3 GLY A 248 9.862 3.435 -9.414 1.00 15.00 H new ATOM 218 N GLN A 249 7.462 2.484 -7.426 1.00 15.00 N ATOM 219 CA GLN A 249 6.293 1.618 -7.362 1.00 15.00 C ATOM 220 C GLN A 249 5.287 2.162 -6.355 1.00 15.00 C ATOM 221 O GLN A 249 5.668 2.609 -5.272 1.00 15.00 O ATOM 222 CB GLN A 249 6.714 0.202 -6.941 1.00 15.00 C ATOM 223 CG GLN A 249 8.150 -0.144 -7.296 1.00 15.00 C ATOM 224 CD GLN A 249 8.543 -1.546 -6.885 1.00 15.00 C ATOM 225 OE1 GLN A 249 8.431 -2.491 -7.664 1.00 15.00 O ATOM 226 NE2 GLN A 249 9.001 -1.694 -5.651 1.00 15.00 N ATOM 0 H GLN A 249 7.838 2.755 -6.517 1.00 15.00 H new ATOM 0 HA GLN A 249 5.831 1.585 -8.349 1.00 15.00 H new ATOM 0 HB2 GLN A 249 6.581 0.099 -5.864 1.00 15.00 H new ATOM 0 HB3 GLN A 249 6.049 -0.520 -7.414 1.00 15.00 H new ATOM 0 HG2 GLN A 249 8.288 -0.035 -8.372 1.00 15.00 H new ATOM 0 HG3 GLN A 249 8.819 0.570 -6.815 1.00 15.00 H new ATOM 0 HE21 GLN A 249 9.079 -0.884 -5.035 1.00 15.00 H new ATOM 0 HE22 GLN A 249 9.276 -2.618 -5.316 1.00 15.00 H new ATOM 235 N VAL A 250 4.008 2.106 -6.704 1.00 15.00 N ATOM 236 CA VAL A 250 2.949 2.462 -5.769 1.00 15.00 C ATOM 237 C VAL A 250 2.519 1.229 -4.986 1.00 15.00 C ATOM 238 O VAL A 250 2.137 0.213 -5.566 1.00 15.00 O ATOM 239 CB VAL A 250 1.712 3.070 -6.474 1.00 15.00 C ATOM 240 CG1 VAL A 250 1.975 4.504 -6.896 1.00 15.00 C ATOM 241 CG2 VAL A 250 1.292 2.232 -7.677 1.00 15.00 C ATOM 0 H VAL A 250 3.680 1.818 -7.626 1.00 15.00 H new ATOM 0 HA VAL A 250 3.356 3.221 -5.100 1.00 15.00 H new ATOM 0 HB VAL A 250 0.893 3.067 -5.755 1.00 15.00 H new ATOM 0 HG11 VAL A 250 1.090 4.906 -7.389 1.00 15.00 H new ATOM 0 HG12 VAL A 250 2.206 5.105 -6.017 1.00 15.00 H new ATOM 0 HG13 VAL A 250 2.818 4.531 -7.586 1.00 15.00 H new ATOM 0 HG21 VAL A 250 0.421 2.685 -8.150 1.00 15.00 H new ATOM 0 HG22 VAL A 250 2.112 2.188 -8.394 1.00 15.00 H new ATOM 0 HG23 VAL A 250 1.042 1.223 -7.348 1.00 15.00 H new ATOM 251 N TYR A 251 2.605 1.311 -3.670 1.00 15.00 N ATOM 252 CA TYR A 251 2.309 0.169 -2.828 1.00 15.00 C ATOM 253 C TYR A 251 1.328 0.576 -1.726 1.00 15.00 C ATOM 254 O TYR A 251 1.468 1.637 -1.108 1.00 15.00 O ATOM 255 CB TYR A 251 3.647 -0.421 -2.313 1.00 15.00 C ATOM 256 CG TYR A 251 4.420 0.391 -1.269 1.00 15.00 C ATOM 257 CD1 TYR A 251 3.917 0.617 0.008 1.00 15.00 C ATOM 258 CD2 TYR A 251 5.692 0.888 -1.561 1.00 15.00 C ATOM 259 CE1 TYR A 251 4.645 1.314 0.952 1.00 15.00 C ATOM 260 CE2 TYR A 251 6.420 1.590 -0.621 1.00 15.00 C ATOM 261 CZ TYR A 251 5.893 1.800 0.633 1.00 15.00 C ATOM 262 OH TYR A 251 6.616 2.497 1.574 1.00 15.00 O ATOM 0 H TYR A 251 2.877 2.154 -3.164 1.00 15.00 H new ATOM 0 HA TYR A 251 1.807 -0.624 -3.383 1.00 15.00 H new ATOM 0 HB2 TYR A 251 3.441 -1.404 -1.890 1.00 15.00 H new ATOM 0 HB3 TYR A 251 4.300 -0.574 -3.172 1.00 15.00 H new ATOM 0 HD1 TYR A 251 2.938 0.240 0.266 1.00 15.00 H new ATOM 0 HD2 TYR A 251 6.114 0.720 -2.541 1.00 15.00 H new ATOM 0 HE1 TYR A 251 4.236 1.477 1.938 1.00 15.00 H new ATOM 0 HE2 TYR A 251 7.399 1.973 -0.869 1.00 15.00 H new ATOM 0 HH TYR A 251 7.475 2.770 1.190 1.00 15.00 H new ATOM 272 N PHE A 252 0.307 -0.249 -1.518 1.00 15.00 N ATOM 273 CA PHE A 252 -0.756 0.070 -0.571 1.00 15.00 C ATOM 274 C PHE A 252 -0.437 -0.446 0.814 1.00 15.00 C ATOM 275 O PHE A 252 -0.124 -1.623 1.001 1.00 15.00 O ATOM 276 CB PHE A 252 -2.099 -0.482 -1.058 1.00 15.00 C ATOM 277 CG PHE A 252 -2.651 0.331 -2.198 1.00 15.00 C ATOM 278 CD1 PHE A 252 -2.939 1.675 -2.021 1.00 15.00 C ATOM 279 CD2 PHE A 252 -2.826 -0.223 -3.459 1.00 15.00 C ATOM 280 CE1 PHE A 252 -3.403 2.447 -3.071 1.00 15.00 C ATOM 281 CE2 PHE A 252 -3.276 0.548 -4.514 1.00 15.00 C ATOM 282 CZ PHE A 252 -3.565 1.885 -4.320 1.00 15.00 C ATOM 0 H PHE A 252 0.193 -1.144 -1.993 1.00 15.00 H new ATOM 0 HA PHE A 252 -0.830 1.156 -0.511 1.00 15.00 H new ATOM 0 HB2 PHE A 252 -1.974 -1.517 -1.376 1.00 15.00 H new ATOM 0 HB3 PHE A 252 -2.812 -0.485 -0.234 1.00 15.00 H new ATOM 0 HD1 PHE A 252 -2.799 2.126 -1.050 1.00 15.00 H new ATOM 0 HD2 PHE A 252 -2.608 -1.269 -3.617 1.00 15.00 H new ATOM 0 HE1 PHE A 252 -3.638 3.489 -2.913 1.00 15.00 H new ATOM 0 HE2 PHE A 252 -3.402 0.105 -5.491 1.00 15.00 H new ATOM 0 HZ PHE A 252 -3.917 2.488 -5.144 1.00 15.00 H new ATOM 292 N LEU A 253 -0.532 0.451 1.781 1.00 15.00 N ATOM 293 CA LEU A 253 -0.177 0.143 3.148 1.00 15.00 C ATOM 294 C LEU A 253 -1.379 0.300 4.066 1.00 15.00 C ATOM 295 O LEU A 253 -2.027 1.344 4.091 1.00 15.00 O ATOM 296 CB LEU A 253 0.936 1.080 3.600 1.00 15.00 C ATOM 297 CG LEU A 253 2.046 0.442 4.430 1.00 15.00 C ATOM 298 CD1 LEU A 253 3.106 1.473 4.733 1.00 15.00 C ATOM 299 CD2 LEU A 253 1.512 -0.152 5.724 1.00 15.00 C ATOM 0 H LEU A 253 -0.856 1.407 1.638 1.00 15.00 H new ATOM 0 HA LEU A 253 0.162 -0.892 3.198 1.00 15.00 H new ATOM 0 HB2 LEU A 253 1.384 1.534 2.716 1.00 15.00 H new ATOM 0 HB3 LEU A 253 0.491 1.887 4.182 1.00 15.00 H new ATOM 0 HG LEU A 253 2.477 -0.372 3.848 1.00 15.00 H new ATOM 0 HD11 LEU A 253 3.899 1.017 5.326 1.00 15.00 H new ATOM 0 HD12 LEU A 253 3.523 1.851 3.800 1.00 15.00 H new ATOM 0 HD13 LEU A 253 2.663 2.297 5.293 1.00 15.00 H new ATOM 0 HD21 LEU A 253 2.333 -0.597 6.286 1.00 15.00 H new ATOM 0 HD22 LEU A 253 1.047 0.633 6.320 1.00 15.00 H new ATOM 0 HD23 LEU A 253 0.772 -0.919 5.494 1.00 15.00 H new ATOM 311 N HIS A 254 -1.665 -0.743 4.811 1.00 15.00 N ATOM 312 CA HIS A 254 -2.691 -0.708 5.842 1.00 15.00 C ATOM 313 C HIS A 254 -2.201 -1.488 7.034 1.00 15.00 C ATOM 314 O HIS A 254 -2.365 -2.703 7.094 1.00 15.00 O ATOM 315 CB HIS A 254 -4.029 -1.273 5.311 1.00 15.00 C ATOM 316 CG HIS A 254 -4.934 -1.938 6.321 1.00 15.00 C ATOM 317 ND1 HIS A 254 -5.227 -1.418 7.568 1.00 15.00 N ATOM 318 CD2 HIS A 254 -5.578 -3.128 6.260 1.00 15.00 C ATOM 319 CE1 HIS A 254 -6.000 -2.270 8.223 1.00 15.00 C ATOM 320 NE2 HIS A 254 -6.230 -3.310 7.452 1.00 15.00 N ATOM 0 H HIS A 254 -1.195 -1.644 4.723 1.00 15.00 H new ATOM 0 HA HIS A 254 -2.879 0.324 6.139 1.00 15.00 H new ATOM 0 HB2 HIS A 254 -4.581 -0.457 4.845 1.00 15.00 H new ATOM 0 HB3 HIS A 254 -3.805 -1.996 4.527 1.00 15.00 H new ATOM 0 HD2 HIS A 254 -5.578 -3.811 5.423 1.00 15.00 H new ATOM 0 HE1 HIS A 254 -6.379 -2.133 9.225 1.00 15.00 H new ATOM 0 HE2 HIS A 254 -6.800 -4.119 7.700 1.00 15.00 H new ATOM 329 N THR A 255 -1.558 -0.839 7.977 1.00 15.00 N ATOM 330 CA THR A 255 -1.098 -1.609 9.091 1.00 15.00 C ATOM 331 C THR A 255 -1.989 -1.402 10.300 1.00 15.00 C ATOM 332 O THR A 255 -1.790 -0.524 11.135 1.00 15.00 O ATOM 333 CB THR A 255 0.380 -1.295 9.432 1.00 15.00 C ATOM 334 OG1 THR A 255 0.759 -1.945 10.650 1.00 15.00 O ATOM 335 CG2 THR A 255 0.623 0.206 9.548 1.00 15.00 C ATOM 0 H THR A 255 -1.354 0.160 7.994 1.00 15.00 H new ATOM 0 HA THR A 255 -1.152 -2.660 8.805 1.00 15.00 H new ATOM 0 HB THR A 255 0.993 -1.674 8.614 1.00 15.00 H new ATOM 0 HG1 THR A 255 1.695 -1.739 10.853 1.00 15.00 H new ATOM 0 HG21 THR A 255 1.671 0.387 9.788 1.00 15.00 H new ATOM 0 HG22 THR A 255 0.379 0.688 8.602 1.00 15.00 H new ATOM 0 HG23 THR A 255 -0.006 0.617 10.337 1.00 15.00 H new ATOM 343 N GLN A 256 -3.006 -2.231 10.327 1.00 15.00 N ATOM 344 CA GLN A 256 -3.593 -2.756 11.529 1.00 15.00 C ATOM 345 C GLN A 256 -3.044 -4.159 11.670 1.00 15.00 C ATOM 346 O GLN A 256 -2.476 -4.552 12.684 1.00 15.00 O ATOM 347 CB GLN A 256 -5.117 -2.791 11.409 1.00 15.00 C ATOM 348 CG GLN A 256 -5.838 -3.296 12.648 1.00 15.00 C ATOM 349 CD GLN A 256 -5.811 -2.294 13.787 1.00 15.00 C ATOM 350 OE1 GLN A 256 -6.657 -1.403 13.861 1.00 15.00 O ATOM 351 NE2 GLN A 256 -4.863 -2.448 14.697 1.00 15.00 N ATOM 0 H GLN A 256 -3.461 -2.568 9.479 1.00 15.00 H new ATOM 0 HA GLN A 256 -3.355 -2.139 12.396 1.00 15.00 H new ATOM 0 HB2 GLN A 256 -5.474 -1.786 11.181 1.00 15.00 H new ATOM 0 HB3 GLN A 256 -5.387 -3.424 10.564 1.00 15.00 H new ATOM 0 HG2 GLN A 256 -6.873 -3.524 12.394 1.00 15.00 H new ATOM 0 HG3 GLN A 256 -5.378 -4.228 12.977 1.00 15.00 H new ATOM 0 HE21 GLN A 256 -4.180 -3.199 14.600 1.00 15.00 H new ATOM 0 HE22 GLN A 256 -4.815 -1.815 15.496 1.00 15.00 H new ATOM 360 N THR A 257 -3.224 -4.890 10.570 1.00 15.00 N ATOM 361 CA THR A 257 -2.847 -6.277 10.456 1.00 15.00 C ATOM 362 C THR A 257 -1.526 -6.443 9.789 1.00 15.00 C ATOM 363 O THR A 257 -0.868 -7.481 9.781 1.00 15.00 O ATOM 364 CB THR A 257 -3.954 -7.093 9.770 1.00 15.00 C ATOM 365 OG1 THR A 257 -4.042 -6.720 8.389 1.00 15.00 O ATOM 366 CG2 THR A 257 -5.300 -6.832 10.439 1.00 15.00 C ATOM 0 H THR A 257 -3.646 -4.515 9.721 1.00 15.00 H new ATOM 0 HA THR A 257 -2.730 -6.672 11.465 1.00 15.00 H new ATOM 0 HB THR A 257 -3.708 -8.151 9.857 1.00 15.00 H new ATOM 0 HG1 THR A 257 -4.747 -7.243 7.953 1.00 15.00 H new ATOM 0 HG21 THR A 257 -6.073 -7.417 9.941 1.00 15.00 H new ATOM 0 HG22 THR A 257 -5.246 -7.120 11.489 1.00 15.00 H new ATOM 0 HG23 THR A 257 -5.543 -5.772 10.365 1.00 15.00 H new ATOM 374 N GLY A 258 -1.218 -5.363 9.259 1.00 15.00 N ATOM 375 CA GLY A 258 -0.046 -5.173 8.419 1.00 15.00 C ATOM 376 C GLY A 258 -0.264 -5.551 6.960 1.00 15.00 C ATOM 377 O GLY A 258 0.261 -6.559 6.490 1.00 15.00 O ATOM 0 H GLY A 258 -1.772 -4.515 9.375 1.00 15.00 H new ATOM 0 HA2 GLY A 258 0.261 -4.128 8.471 1.00 15.00 H new ATOM 0 HA3 GLY A 258 0.776 -5.767 8.819 1.00 15.00 H new ATOM 381 N VAL A 259 -1.038 -4.745 6.241 1.00 15.00 N ATOM 382 CA VAL A 259 -1.174 -4.903 4.788 1.00 15.00 C ATOM 383 C VAL A 259 -0.130 -4.090 4.041 1.00 15.00 C ATOM 384 O VAL A 259 0.054 -2.899 4.290 1.00 15.00 O ATOM 385 CB VAL A 259 -2.577 -4.506 4.245 1.00 15.00 C ATOM 386 CG1 VAL A 259 -2.587 -4.494 2.721 1.00 15.00 C ATOM 387 CG2 VAL A 259 -3.615 -5.485 4.745 1.00 15.00 C ATOM 0 H VAL A 259 -1.581 -3.976 6.634 1.00 15.00 H new ATOM 0 HA VAL A 259 -1.029 -5.969 4.611 1.00 15.00 H new ATOM 0 HB VAL A 259 -2.811 -3.504 4.604 1.00 15.00 H new ATOM 0 HG11 VAL A 259 -3.579 -4.214 2.366 1.00 15.00 H new ATOM 0 HG12 VAL A 259 -1.854 -3.773 2.358 1.00 15.00 H new ATOM 0 HG13 VAL A 259 -2.335 -5.487 2.348 1.00 15.00 H new ATOM 0 HG21 VAL A 259 -4.596 -5.203 4.362 1.00 15.00 H new ATOM 0 HG22 VAL A 259 -3.365 -6.488 4.399 1.00 15.00 H new ATOM 0 HG23 VAL A 259 -3.633 -5.471 5.835 1.00 15.00 H new ATOM 397 N SER A 260 0.535 -4.767 3.127 1.00 15.00 N ATOM 398 CA SER A 260 1.446 -4.141 2.183 1.00 15.00 C ATOM 399 C SER A 260 1.324 -4.872 0.852 1.00 15.00 C ATOM 400 O SER A 260 1.815 -5.991 0.705 1.00 15.00 O ATOM 401 CB SER A 260 2.888 -4.182 2.701 1.00 15.00 C ATOM 402 OG SER A 260 3.250 -5.498 3.096 1.00 15.00 O ATOM 0 H SER A 260 0.459 -5.778 3.015 1.00 15.00 H new ATOM 0 HA SER A 260 1.184 -3.091 2.056 1.00 15.00 H new ATOM 0 HB2 SER A 260 3.567 -3.832 1.924 1.00 15.00 H new ATOM 0 HB3 SER A 260 2.994 -3.503 3.547 1.00 15.00 H new ATOM 0 HG SER A 260 2.930 -6.140 2.428 1.00 15.00 H new ATOM 408 N THR A 261 0.623 -4.270 -0.096 1.00 15.00 N ATOM 409 CA THR A 261 0.243 -4.982 -1.307 1.00 15.00 C ATOM 410 C THR A 261 0.147 -4.045 -2.507 1.00 15.00 C ATOM 411 O THR A 261 -0.123 -2.854 -2.360 1.00 15.00 O ATOM 412 CB THR A 261 -1.100 -5.723 -1.112 1.00 15.00 C ATOM 413 OG1 THR A 261 -1.386 -6.550 -2.248 1.00 15.00 O ATOM 414 CG2 THR A 261 -2.248 -4.743 -0.893 1.00 15.00 C ATOM 0 H THR A 261 0.308 -3.301 -0.052 1.00 15.00 H new ATOM 0 HA THR A 261 1.027 -5.712 -1.508 1.00 15.00 H new ATOM 0 HB THR A 261 -1.004 -6.348 -0.224 1.00 15.00 H new ATOM 0 HG1 THR A 261 -1.614 -7.454 -1.946 1.00 15.00 H new ATOM 0 HG21 THR A 261 -3.178 -5.296 -0.759 1.00 15.00 H new ATOM 0 HG22 THR A 261 -2.051 -4.144 -0.004 1.00 15.00 H new ATOM 0 HG23 THR A 261 -2.337 -4.087 -1.759 1.00 15.00 H new ATOM 422 N TRP A 262 0.414 -4.592 -3.689 1.00 15.00 N ATOM 423 CA TRP A 262 0.315 -3.832 -4.928 1.00 15.00 C ATOM 424 C TRP A 262 -1.136 -3.556 -5.292 1.00 15.00 C ATOM 425 O TRP A 262 -1.456 -2.505 -5.845 1.00 15.00 O ATOM 426 CB TRP A 262 0.944 -4.589 -6.091 1.00 15.00 C ATOM 427 CG TRP A 262 2.374 -4.959 -5.893 1.00 15.00 C ATOM 428 CD1 TRP A 262 2.873 -6.190 -5.622 1.00 15.00 C ATOM 429 CD2 TRP A 262 3.486 -4.095 -5.852 1.00 15.00 C ATOM 430 NE1 TRP A 262 4.205 -6.180 -5.575 1.00 15.00 N ATOM 431 CE2 TRP A 262 4.610 -4.917 -5.676 1.00 15.00 C ATOM 432 CE3 TRP A 262 3.671 -2.722 -5.976 1.00 15.00 C ATOM 433 CZ2 TRP A 262 5.861 -4.438 -5.613 1.00 15.00 C ATOM 434 CZ3 TRP A 262 4.954 -2.247 -5.863 1.00 15.00 C ATOM 435 CH2 TRP A 262 6.014 -3.132 -5.685 1.00 15.00 C ATOM 0 H TRP A 262 0.702 -5.563 -3.814 1.00 15.00 H new ATOM 0 HA TRP A 262 0.845 -2.895 -4.758 1.00 15.00 H new ATOM 0 HB2 TRP A 262 0.369 -5.498 -6.269 1.00 15.00 H new ATOM 0 HB3 TRP A 262 0.862 -3.979 -6.991 1.00 15.00 H new ATOM 0 HD1 TRP A 262 2.267 -7.070 -5.464 1.00 15.00 H new ATOM 0 HE1 TRP A 262 4.808 -6.997 -5.479 1.00 15.00 H new ATOM 0 HE3 TRP A 262 2.839 -2.057 -6.154 1.00 15.00 H new ATOM 0 HZ2 TRP A 262 6.710 -5.097 -5.507 1.00 15.00 H new ATOM 0 HZ3 TRP A 262 5.142 -1.185 -5.912 1.00 15.00 H new ATOM 0 HH2 TRP A 262 7.012 -2.727 -5.602 1.00 15.00 H new ATOM 446 N HIS A 263 -2.005 -4.527 -5.027 1.00 15.00 N ATOM 447 CA HIS A 263 -3.390 -4.415 -5.454 1.00 15.00 C ATOM 448 C HIS A 263 -4.119 -3.411 -4.584 1.00 15.00 C ATOM 449 O HIS A 263 -4.085 -3.496 -3.353 1.00 15.00 O ATOM 450 CB HIS A 263 -4.110 -5.785 -5.450 1.00 15.00 C ATOM 451 CG HIS A 263 -4.793 -6.167 -4.163 1.00 15.00 C ATOM 452 ND1 HIS A 263 -6.122 -5.891 -3.900 1.00 15.00 N ATOM 453 CD2 HIS A 263 -4.332 -6.824 -3.074 1.00 15.00 C ATOM 454 CE1 HIS A 263 -6.439 -6.359 -2.708 1.00 15.00 C ATOM 455 NE2 HIS A 263 -5.373 -6.935 -2.184 1.00 15.00 N ATOM 0 H HIS A 263 -1.777 -5.386 -4.527 1.00 15.00 H new ATOM 0 HA HIS A 263 -3.398 -4.060 -6.485 1.00 15.00 H new ATOM 0 HB2 HIS A 263 -4.854 -5.785 -6.247 1.00 15.00 H new ATOM 0 HB3 HIS A 263 -3.381 -6.557 -5.695 1.00 15.00 H new ATOM 0 HD1 HIS A 263 -6.758 -5.402 -4.530 1.00 15.00 H new ATOM 0 HD2 HIS A 263 -3.328 -7.194 -2.930 1.00 15.00 H new ATOM 0 HE1 HIS A 263 -7.409 -6.283 -2.239 1.00 15.00 H new ATOM 464 N ASP A 264 -4.750 -2.449 -5.231 1.00 15.00 N ATOM 465 CA ASP A 264 -5.605 -1.500 -4.543 1.00 15.00 C ATOM 466 C ASP A 264 -6.640 -2.278 -3.749 1.00 15.00 C ATOM 467 O ASP A 264 -7.310 -3.141 -4.288 1.00 15.00 O ATOM 468 CB ASP A 264 -6.274 -0.577 -5.569 1.00 15.00 C ATOM 469 CG ASP A 264 -6.964 0.618 -4.951 1.00 15.00 C ATOM 470 OD1 ASP A 264 -7.732 0.439 -3.991 1.00 15.00 O ATOM 471 OD2 ASP A 264 -6.754 1.749 -5.450 1.00 15.00 O1- ATOM 0 H ASP A 264 -4.686 -2.304 -6.239 1.00 15.00 H new ATOM 0 HA ASP A 264 -5.024 -0.879 -3.861 1.00 15.00 H new ATOM 0 HB2 ASP A 264 -5.521 -0.226 -6.275 1.00 15.00 H new ATOM 0 HB3 ASP A 264 -7.003 -1.151 -6.140 1.00 15.00 H new ATOM 476 N PRO A 265 -6.760 -2.033 -2.449 1.00 15.00 N ATOM 477 CA PRO A 265 -7.690 -2.779 -1.606 1.00 15.00 C ATOM 478 C PRO A 265 -9.137 -2.473 -1.922 1.00 15.00 C ATOM 479 O PRO A 265 -10.053 -3.169 -1.474 1.00 15.00 O ATOM 480 CB PRO A 265 -7.329 -2.350 -0.186 1.00 15.00 C ATOM 481 CG PRO A 265 -6.025 -1.628 -0.306 1.00 15.00 C ATOM 482 CD PRO A 265 -5.999 -1.044 -1.684 1.00 15.00 C ATOM 0 HA PRO A 265 -7.600 -3.854 -1.762 1.00 15.00 H new ATOM 0 HB2 PRO A 265 -8.098 -1.703 0.236 1.00 15.00 H new ATOM 0 HB3 PRO A 265 -7.241 -3.213 0.474 1.00 15.00 H new ATOM 0 HG2 PRO A 265 -5.941 -0.847 0.450 1.00 15.00 H new ATOM 0 HG3 PRO A 265 -5.187 -2.309 -0.155 1.00 15.00 H new ATOM 0 HD2 PRO A 265 -6.462 -0.058 -1.718 1.00 15.00 H new ATOM 0 HD3 PRO A 265 -4.982 -0.932 -2.060 1.00 15.00 H new ATOM 490 N ARG A 266 -9.335 -1.404 -2.658 1.00 15.00 N ATOM 491 CA ARG A 266 -10.637 -1.057 -3.167 1.00 15.00 C ATOM 492 C ARG A 266 -10.961 -1.957 -4.345 1.00 15.00 C ATOM 493 O ARG A 266 -12.090 -2.002 -4.831 1.00 15.00 O ATOM 494 CB ARG A 266 -10.613 0.391 -3.603 1.00 15.00 C ATOM 495 CG ARG A 266 -11.976 1.006 -3.840 1.00 15.00 C ATOM 496 CD ARG A 266 -12.791 1.149 -2.567 1.00 15.00 C ATOM 497 NE ARG A 266 -14.090 1.760 -2.846 1.00 15.00 N ATOM 498 CZ ARG A 266 -14.926 2.224 -1.920 1.00 15.00 C ATOM 499 NH1 ARG A 266 -14.653 2.082 -0.629 1.00 15.00 N1+ ATOM 500 NH2 ARG A 266 -16.050 2.825 -2.290 1.00 15.00 N ATOM 0 H ARG A 266 -8.596 -0.751 -2.920 1.00 15.00 H new ATOM 0 HA ARG A 266 -11.399 -1.190 -2.399 1.00 15.00 H new ATOM 0 HB2 ARG A 266 -10.093 0.976 -2.844 1.00 15.00 H new ATOM 0 HB3 ARG A 266 -10.030 0.470 -4.521 1.00 15.00 H new ATOM 0 HG2 ARG A 266 -11.851 1.988 -4.297 1.00 15.00 H new ATOM 0 HG3 ARG A 266 -12.528 0.391 -4.551 1.00 15.00 H new ATOM 0 HD2 ARG A 266 -12.936 0.170 -2.111 1.00 15.00 H new ATOM 0 HD3 ARG A 266 -12.245 1.759 -1.847 1.00 15.00 H new ATOM 0 HE ARG A 266 -14.376 1.836 -3.822 1.00 15.00 H new ATOM 0 HH11 ARG A 266 -13.795 1.613 -0.338 1.00 15.00 H new ATOM 0 HH12 ARG A 266 -15.301 2.442 0.072 1.00 15.00 H new ATOM 0 HH21 ARG A 266 -16.270 2.930 -3.280 1.00 15.00 H new ATOM 0 HH22 ARG A 266 -16.694 3.182 -1.584 1.00 15.00 H new ATOM 514 N ILE A 267 -9.936 -2.659 -4.802 1.00 15.00 N ATOM 515 CA ILE A 267 -10.082 -3.592 -5.920 1.00 15.00 C ATOM 516 C ILE A 267 -9.598 -4.999 -5.546 1.00 15.00 C ATOM 517 O ILE A 267 -10.462 -5.837 -5.209 1.00 15.00 O ATOM 518 CB ILE A 267 -9.398 -3.103 -7.236 1.00 15.00 C ATOM 519 CG1 ILE A 267 -7.882 -2.872 -7.084 1.00 15.00 C ATOM 520 CG2 ILE A 267 -10.074 -1.831 -7.731 1.00 15.00 C ATOM 521 CD1 ILE A 267 -7.190 -2.515 -8.385 1.00 15.00 C ATOM 522 OXT ILE A 267 -8.376 -5.267 -5.573 1.00 15.00 O ATOM 0 H ILE A 267 -8.992 -2.604 -4.419 1.00 15.00 H new ATOM 0 HA ILE A 267 -11.151 -3.634 -6.127 1.00 15.00 H new ATOM 0 HB ILE A 267 -9.519 -3.901 -7.968 1.00 15.00 H new ATOM 0 HG12 ILE A 267 -7.715 -2.073 -6.362 1.00 15.00 H new ATOM 0 HG13 ILE A 267 -7.425 -3.773 -6.674 1.00 15.00 H new ATOM 0 HG21 ILE A 267 -9.591 -1.496 -8.649 1.00 15.00 H new ATOM 0 HG22 ILE A 267 -11.127 -2.031 -7.927 1.00 15.00 H new ATOM 0 HG23 ILE A 267 -9.988 -1.054 -6.972 1.00 15.00 H new ATOM 0 HD11 ILE A 267 -6.126 -2.367 -8.202 1.00 15.00 H new ATOM 0 HD12 ILE A 267 -7.326 -3.324 -9.103 1.00 15.00 H new ATOM 0 HD13 ILE A 267 -7.620 -1.597 -8.786 1.00 15.00 H new ATOM 535 N SER B 210 7.916 2.913 12.535 1.00 15.00 N ATOM 536 CA SER B 210 7.992 4.052 11.598 1.00 15.00 C ATOM 537 C SER B 210 8.525 3.602 10.239 1.00 15.00 C ATOM 538 O SER B 210 8.577 4.384 9.287 1.00 15.00 O ATOM 539 CB SER B 210 8.898 5.132 12.182 1.00 15.00 C ATOM 540 OG SER B 210 8.481 5.488 13.489 1.00 15.00 O ATOM 0 HA SER B 210 6.989 4.455 11.455 1.00 15.00 H new ATOM 0 HB2 SER B 210 9.927 4.774 12.209 1.00 15.00 H new ATOM 0 HB3 SER B 210 8.883 6.012 11.539 1.00 15.00 H new ATOM 0 HG SER B 210 7.992 4.740 13.891 1.00 15.00 H new ATOM 548 N ASP B 211 8.920 2.338 10.150 1.00 15.00 N ATOM 549 CA ASP B 211 9.480 1.802 8.920 1.00 15.00 C ATOM 550 C ASP B 211 8.531 0.779 8.302 1.00 15.00 C ATOM 551 O ASP B 211 8.298 -0.291 8.861 1.00 15.00 O ATOM 552 CB ASP B 211 10.859 1.177 9.184 1.00 15.00 C ATOM 553 CG ASP B 211 10.811 -0.013 10.130 1.00 15.00 C ATOM 554 OD1 ASP B 211 10.396 0.159 11.298 1.00 15.00 O ATOM 555 OD2 ASP B 211 11.184 -1.130 9.710 1.00 15.00 O1- ATOM 0 H ASP B 211 8.862 1.667 10.916 1.00 15.00 H new ATOM 0 HA ASP B 211 9.607 2.621 8.212 1.00 15.00 H new ATOM 0 HB2 ASP B 211 11.294 0.861 8.236 1.00 15.00 H new ATOM 0 HB3 ASP B 211 11.520 1.937 9.601 1.00 15.00 H new ATOM 560 N PRO B 212 7.912 1.122 7.171 1.00 15.00 N ATOM 561 CA PRO B 212 7.047 0.209 6.443 1.00 15.00 C ATOM 562 C PRO B 212 7.811 -0.608 5.412 1.00 15.00 C ATOM 563 O PRO B 212 8.779 -0.129 4.818 1.00 15.00 O ATOM 564 CB PRO B 212 6.054 1.146 5.748 1.00 15.00 C ATOM 565 CG PRO B 212 6.557 2.540 5.948 1.00 15.00 C ATOM 566 CD PRO B 212 7.944 2.434 6.529 1.00 15.00 C ATOM 0 HA PRO B 212 6.579 -0.524 7.100 1.00 15.00 H new ATOM 0 HB2 PRO B 212 5.980 0.911 4.686 1.00 15.00 H new ATOM 0 HB3 PRO B 212 5.056 1.032 6.170 1.00 15.00 H new ATOM 0 HG2 PRO B 212 6.576 3.081 5.002 1.00 15.00 H new ATOM 0 HG3 PRO B 212 5.900 3.094 6.619 1.00 15.00 H new ATOM 0 HD2 PRO B 212 8.713 2.491 5.759 1.00 15.00 H new ATOM 0 HD3 PRO B 212 8.148 3.232 7.243 1.00 15.00 H new ATOM 574 N GLY B 213 7.360 -1.829 5.187 1.00 15.00 N ATOM 575 CA GLY B 213 7.990 -2.673 4.202 1.00 15.00 C ATOM 576 C GLY B 213 7.372 -2.490 2.836 1.00 15.00 C ATOM 577 O GLY B 213 6.147 -2.497 2.690 1.00 15.00 O ATOM 0 H GLY B 213 6.567 -2.251 5.671 1.00 15.00 H new ATOM 0 HA2 GLY B 213 9.055 -2.445 4.154 1.00 15.00 H new ATOM 0 HA3 GLY B 213 7.901 -3.716 4.505 1.00 15.00 H new