USER MOD reduce.3.24.130724 H: found=0, std=0, add=267, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 269 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 107:sc= -1.31 USER MOD Set 1.2: A 263 HIS : no HE2:sc= -1.65! K(o=-3!,f=0.62) USER MOD Set 2.1: A 242 GLN : amide:sc= -0.0186 K(o=0.37,f=-0.32) USER MOD Set 2.2: A 244 THR OG1 : rot 180:sc= 0.386 USER MOD Single : A 240 TYR OH : rot 180:sc= 0 USER MOD Single : A 245 THR OG1 : rot 180:sc= 0 USER MOD Single : A 247 GLN : amide:sc= -2.13! K(o=-2.1!,f=-0.19) USER MOD Single : A 249 GLN : amide:sc= -8.32! C(o=-8.3!,f=-6.3!) USER MOD Single : A 251 TYR OH : rot 180:sc= 0 USER MOD Single : A 254 HIS : no HD1:sc= -7.47! C(o=-7.5!,f=-3.7!) USER MOD Single : A 255 THR OG1 : rot 52:sc= 0.00575 USER MOD Single : A 256 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 257 THR OG1 : rot 180:sc= 0 USER MOD Single : A 260 SER OG : rot 44:sc= 0.0182 USER MOD ----------------------------------------------------------------- ATOM 16 N LEU A 236 10.259 4.305 1.401 1.00 15.00 N ATOM 17 CA LEU A 236 10.000 2.908 1.714 1.00 15.00 C ATOM 18 C LEU A 236 11.206 2.073 1.319 1.00 15.00 C ATOM 19 O LEU A 236 12.104 2.556 0.629 1.00 15.00 O ATOM 20 CB LEU A 236 8.766 2.356 0.961 1.00 15.00 C ATOM 21 CG LEU A 236 7.482 3.204 0.982 1.00 15.00 C ATOM 22 CD1 LEU A 236 7.146 3.638 2.394 1.00 15.00 C ATOM 23 CD2 LEU A 236 7.595 4.405 0.055 1.00 15.00 C ATOM 0 HA LEU A 236 9.806 2.848 2.785 1.00 15.00 H new ATOM 0 HB2 LEU A 236 9.049 2.201 -0.080 1.00 15.00 H new ATOM 0 HB3 LEU A 236 8.529 1.377 1.377 1.00 15.00 H new ATOM 0 HG LEU A 236 6.666 2.581 0.615 1.00 15.00 H new ATOM 0 HD11 LEU A 236 6.235 4.236 2.384 1.00 15.00 H new ATOM 0 HD12 LEU A 236 6.995 2.758 3.019 1.00 15.00 H new ATOM 0 HD13 LEU A 236 7.966 4.233 2.797 1.00 15.00 H new ATOM 0 HD21 LEU A 236 6.671 4.983 0.094 1.00 15.00 H new ATOM 0 HD22 LEU A 236 8.429 5.032 0.372 1.00 15.00 H new ATOM 0 HD23 LEU A 236 7.766 4.062 -0.965 1.00 15.00 H new ATOM 35 N PRO A 237 11.241 0.813 1.755 1.00 15.00 N ATOM 36 CA PRO A 237 12.161 -0.180 1.203 1.00 15.00 C ATOM 37 C PRO A 237 11.762 -0.530 -0.216 1.00 15.00 C ATOM 38 O PRO A 237 10.644 -0.250 -0.660 1.00 15.00 O ATOM 39 CB PRO A 237 11.996 -1.393 2.130 1.00 15.00 C ATOM 40 CG PRO A 237 11.274 -0.883 3.334 1.00 15.00 C ATOM 41 CD PRO A 237 10.442 0.270 2.860 1.00 15.00 C ATOM 0 HA PRO A 237 13.192 0.172 1.157 1.00 15.00 H new ATOM 0 HB2 PRO A 237 11.431 -2.186 1.641 1.00 15.00 H new ATOM 0 HB3 PRO A 237 12.964 -1.813 2.402 1.00 15.00 H new ATOM 0 HG2 PRO A 237 10.649 -1.661 3.772 1.00 15.00 H new ATOM 0 HG3 PRO A 237 11.976 -0.566 4.105 1.00 15.00 H new ATOM 0 HD2 PRO A 237 9.456 -0.053 2.526 1.00 15.00 H new ATOM 0 HD3 PRO A 237 10.286 1.007 3.647 1.00 15.00 H new ATOM 49 N GLU A 238 12.673 -1.160 -0.907 1.00 15.00 N ATOM 50 CA GLU A 238 12.509 -1.418 -2.329 1.00 15.00 C ATOM 51 C GLU A 238 11.419 -2.444 -2.596 1.00 15.00 C ATOM 52 O GLU A 238 11.387 -3.526 -2.003 1.00 15.00 O ATOM 53 CB GLU A 238 13.823 -1.897 -2.934 1.00 15.00 C ATOM 54 CG GLU A 238 14.534 -0.838 -3.756 1.00 15.00 C ATOM 55 CD GLU A 238 13.729 -0.408 -4.964 1.00 15.00 C ATOM 56 OE1 GLU A 238 13.560 -1.231 -5.891 1.00 15.00 O ATOM 57 OE2 GLU A 238 13.272 0.751 -5.006 1.00 15.00 O1- ATOM 0 H GLU A 238 13.546 -1.510 -0.513 1.00 15.00 H new ATOM 0 HA GLU A 238 12.211 -0.480 -2.797 1.00 15.00 H new ATOM 0 HB2 GLU A 238 14.484 -2.227 -2.132 1.00 15.00 H new ATOM 0 HB3 GLU A 238 13.628 -2.765 -3.564 1.00 15.00 H new ATOM 0 HG2 GLU A 238 14.735 0.031 -3.129 1.00 15.00 H new ATOM 0 HG3 GLU A 238 15.499 -1.224 -4.085 1.00 15.00 H new ATOM 64 N GLY A 239 10.533 -2.087 -3.510 1.00 15.00 N ATOM 65 CA GLY A 239 9.437 -2.960 -3.868 1.00 15.00 C ATOM 66 C GLY A 239 8.077 -2.302 -3.728 1.00 15.00 C ATOM 67 O GLY A 239 7.166 -2.589 -4.504 1.00 15.00 O ATOM 0 H GLY A 239 10.554 -1.201 -4.014 1.00 15.00 H new ATOM 0 HA2 GLY A 239 9.568 -3.293 -4.898 1.00 15.00 H new ATOM 0 HA3 GLY A 239 9.469 -3.850 -3.239 1.00 15.00 H new ATOM 71 N TYR A 240 7.924 -1.434 -2.739 1.00 15.00 N ATOM 72 CA TYR A 240 6.626 -0.818 -2.470 1.00 15.00 C ATOM 73 C TYR A 240 6.408 0.388 -3.364 1.00 15.00 C ATOM 74 O TYR A 240 7.356 1.079 -3.733 1.00 15.00 O ATOM 75 CB TYR A 240 6.526 -0.333 -1.018 1.00 15.00 C ATOM 76 CG TYR A 240 6.881 -1.362 0.017 1.00 15.00 C ATOM 77 CD1 TYR A 240 8.130 -1.356 0.608 1.00 15.00 C ATOM 78 CD2 TYR A 240 5.974 -2.330 0.403 1.00 15.00 C ATOM 79 CE1 TYR A 240 8.476 -2.296 1.547 1.00 15.00 C ATOM 80 CE2 TYR A 240 6.306 -3.278 1.346 1.00 15.00 C ATOM 81 CZ TYR A 240 7.559 -3.262 1.915 1.00 15.00 C ATOM 82 OH TYR A 240 7.892 -4.220 2.847 1.00 15.00 O ATOM 0 H TYR A 240 8.673 -1.140 -2.112 1.00 15.00 H new ATOM 0 HA TYR A 240 5.873 -1.583 -2.662 1.00 15.00 H new ATOM 0 HB2 TYR A 240 7.181 0.529 -0.892 1.00 15.00 H new ATOM 0 HB3 TYR A 240 5.508 0.010 -0.834 1.00 15.00 H new ATOM 0 HD1 TYR A 240 8.847 -0.599 0.326 1.00 15.00 H new ATOM 0 HD2 TYR A 240 4.990 -2.344 -0.041 1.00 15.00 H new ATOM 0 HE1 TYR A 240 9.459 -2.281 1.995 1.00 15.00 H new ATOM 0 HE2 TYR A 240 5.587 -4.029 1.637 1.00 15.00 H new ATOM 0 HH TYR A 240 7.129 -4.819 2.988 1.00 15.00 H new ATOM 92 N GLU A 241 5.158 0.645 -3.691 1.00 15.00 N ATOM 93 CA GLU A 241 4.784 1.912 -4.284 1.00 15.00 C ATOM 94 C GLU A 241 3.838 2.639 -3.339 1.00 15.00 C ATOM 95 O GLU A 241 3.042 2.007 -2.637 1.00 15.00 O ATOM 96 CB GLU A 241 4.132 1.725 -5.660 1.00 15.00 C ATOM 97 CG GLU A 241 2.863 0.887 -5.654 1.00 15.00 C ATOM 98 CD GLU A 241 2.000 1.160 -6.869 1.00 15.00 C ATOM 99 OE1 GLU A 241 2.283 0.606 -7.957 1.00 15.00 O ATOM 100 OE2 GLU A 241 1.043 1.953 -6.748 1.00 15.00 O1- ATOM 0 H GLU A 241 4.385 -0.006 -3.556 1.00 15.00 H new ATOM 0 HA GLU A 241 5.685 2.506 -4.437 1.00 15.00 H new ATOM 0 HB2 GLU A 241 3.901 2.707 -6.074 1.00 15.00 H new ATOM 0 HB3 GLU A 241 4.855 1.259 -6.329 1.00 15.00 H new ATOM 0 HG2 GLU A 241 3.126 -0.170 -5.626 1.00 15.00 H new ATOM 0 HG3 GLU A 241 2.293 1.098 -4.749 1.00 15.00 H new ATOM 107 N GLN A 242 3.906 3.960 -3.326 1.00 15.00 N ATOM 108 CA GLN A 242 3.026 4.738 -2.477 1.00 15.00 C ATOM 109 C GLN A 242 1.768 5.038 -3.257 1.00 15.00 C ATOM 110 O GLN A 242 1.761 5.876 -4.161 1.00 15.00 O ATOM 111 CB GLN A 242 3.712 6.027 -2.003 1.00 15.00 C ATOM 112 CG GLN A 242 3.013 6.741 -0.841 1.00 15.00 C ATOM 113 CD GLN A 242 1.852 7.627 -1.262 1.00 15.00 C ATOM 114 OE1 GLN A 242 2.033 8.809 -1.555 1.00 15.00 O ATOM 115 NE2 GLN A 242 0.649 7.077 -1.263 1.00 15.00 N ATOM 0 H GLN A 242 4.555 4.510 -3.889 1.00 15.00 H new ATOM 0 HA GLN A 242 2.776 4.171 -1.580 1.00 15.00 H new ATOM 0 HB2 GLN A 242 4.732 5.789 -1.703 1.00 15.00 H new ATOM 0 HB3 GLN A 242 3.780 6.716 -2.845 1.00 15.00 H new ATOM 0 HG2 GLN A 242 2.648 5.993 -0.137 1.00 15.00 H new ATOM 0 HG3 GLN A 242 3.745 7.349 -0.310 1.00 15.00 H new ATOM 0 HE21 GLN A 242 0.537 6.094 -1.015 1.00 15.00 H new ATOM 0 HE22 GLN A 242 -0.167 7.636 -1.512 1.00 15.00 H new ATOM 124 N ARG A 243 0.723 4.302 -2.950 1.00 15.00 N ATOM 125 CA ARG A 243 -0.498 4.396 -3.714 1.00 15.00 C ATOM 126 C ARG A 243 -1.543 5.207 -2.976 1.00 15.00 C ATOM 127 O ARG A 243 -1.644 5.159 -1.752 1.00 15.00 O ATOM 128 CB ARG A 243 -1.058 3.016 -4.024 1.00 15.00 C ATOM 129 CG ARG A 243 -1.879 3.019 -5.292 1.00 15.00 C ATOM 130 CD ARG A 243 -2.805 1.832 -5.383 1.00 15.00 C ATOM 131 NE ARG A 243 -3.602 1.850 -6.610 1.00 15.00 N ATOM 132 CZ ARG A 243 -4.453 2.819 -6.963 1.00 15.00 C ATOM 133 NH1 ARG A 243 -4.670 3.860 -6.169 1.00 15.00 N1+ ATOM 134 NH2 ARG A 243 -5.112 2.727 -8.107 1.00 15.00 N ATOM 0 H ARG A 243 0.695 3.634 -2.179 1.00 15.00 H new ATOM 0 HA ARG A 243 -0.254 4.899 -4.650 1.00 15.00 H new ATOM 0 HB2 ARG A 243 -0.238 2.304 -4.123 1.00 15.00 H new ATOM 0 HB3 ARG A 243 -1.675 2.678 -3.191 1.00 15.00 H new ATOM 0 HG2 ARG A 243 -2.465 3.937 -5.340 1.00 15.00 H new ATOM 0 HG3 ARG A 243 -1.211 3.022 -6.153 1.00 15.00 H new ATOM 0 HD2 ARG A 243 -2.221 0.913 -5.344 1.00 15.00 H new ATOM 0 HD3 ARG A 243 -3.470 1.824 -4.519 1.00 15.00 H new ATOM 0 HE ARG A 243 -3.500 1.060 -7.247 1.00 15.00 H new ATOM 0 HH11 ARG A 243 -4.184 3.929 -5.275 1.00 15.00 H new ATOM 0 HH12 ARG A 243 -5.322 4.591 -6.453 1.00 15.00 H new ATOM 0 HH21 ARG A 243 -4.969 1.920 -8.714 1.00 15.00 H new ATOM 0 HH22 ARG A 243 -5.762 3.463 -8.381 1.00 15.00 H new ATOM 148 N THR A 244 -2.353 5.897 -3.749 1.00 15.00 N ATOM 149 CA THR A 244 -3.375 6.777 -3.225 1.00 15.00 C ATOM 150 C THR A 244 -4.638 6.609 -4.056 1.00 15.00 C ATOM 151 O THR A 244 -4.622 6.821 -5.266 1.00 15.00 O ATOM 152 CB THR A 244 -2.909 8.248 -3.268 1.00 15.00 C ATOM 153 OG1 THR A 244 -1.605 8.363 -2.674 1.00 15.00 O ATOM 154 CG2 THR A 244 -3.885 9.155 -2.531 1.00 15.00 C ATOM 0 H THR A 244 -2.321 5.863 -4.768 1.00 15.00 H new ATOM 0 HA THR A 244 -3.573 6.517 -2.185 1.00 15.00 H new ATOM 0 HB THR A 244 -2.869 8.561 -4.311 1.00 15.00 H new ATOM 0 HG1 THR A 244 -1.313 9.298 -2.705 1.00 15.00 H new ATOM 0 HG21 THR A 244 -3.531 10.185 -2.578 1.00 15.00 H new ATOM 0 HG22 THR A 244 -4.868 9.088 -2.998 1.00 15.00 H new ATOM 0 HG23 THR A 244 -3.956 8.843 -1.489 1.00 15.00 H new ATOM 162 N THR A 245 -5.708 6.173 -3.423 1.00 15.00 N ATOM 163 CA THR A 245 -6.959 5.940 -4.121 1.00 15.00 C ATOM 164 C THR A 245 -7.880 7.144 -3.977 1.00 15.00 C ATOM 165 O THR A 245 -7.795 7.873 -2.985 1.00 15.00 O ATOM 166 CB THR A 245 -7.652 4.647 -3.622 1.00 15.00 C ATOM 167 OG1 THR A 245 -8.948 4.509 -4.203 1.00 15.00 O ATOM 168 CG2 THR A 245 -7.774 4.617 -2.106 1.00 15.00 C ATOM 0 H THR A 245 -5.738 5.972 -2.423 1.00 15.00 H new ATOM 0 HA THR A 245 -6.735 5.802 -5.179 1.00 15.00 H new ATOM 0 HB THR A 245 -7.023 3.813 -3.933 1.00 15.00 H new ATOM 0 HG1 THR A 245 -9.367 3.686 -3.876 1.00 15.00 H new ATOM 0 HG21 THR A 245 -8.265 3.694 -1.799 1.00 15.00 H new ATOM 0 HG22 THR A 245 -6.781 4.665 -1.660 1.00 15.00 H new ATOM 0 HG23 THR A 245 -8.364 5.471 -1.771 1.00 15.00 H new ATOM 176 N VAL A 246 -8.729 7.365 -4.985 1.00 15.00 N ATOM 177 CA VAL A 246 -9.676 8.487 -4.997 1.00 15.00 C ATOM 178 C VAL A 246 -10.534 8.490 -3.728 1.00 15.00 C ATOM 179 O VAL A 246 -11.087 9.515 -3.334 1.00 15.00 O ATOM 180 CB VAL A 246 -10.595 8.425 -6.239 1.00 15.00 C ATOM 181 CG1 VAL A 246 -11.437 9.687 -6.362 1.00 15.00 C ATOM 182 CG2 VAL A 246 -9.778 8.199 -7.505 1.00 15.00 C ATOM 0 H VAL A 246 -8.780 6.773 -5.814 1.00 15.00 H new ATOM 0 HA VAL A 246 -9.092 9.407 -5.035 1.00 15.00 H new ATOM 0 HB VAL A 246 -11.272 7.580 -6.112 1.00 15.00 H new ATOM 0 HG11 VAL A 246 -12.073 9.615 -7.244 1.00 15.00 H new ATOM 0 HG12 VAL A 246 -12.059 9.797 -5.474 1.00 15.00 H new ATOM 0 HG13 VAL A 246 -10.782 10.553 -6.456 1.00 15.00 H new ATOM 0 HG21 VAL A 246 -10.445 8.159 -8.366 1.00 15.00 H new ATOM 0 HG22 VAL A 246 -9.070 9.018 -7.632 1.00 15.00 H new ATOM 0 HG23 VAL A 246 -9.234 7.258 -7.424 1.00 15.00 H new ATOM 192 N GLN A 247 -10.619 7.325 -3.099 1.00 15.00 N ATOM 193 CA GLN A 247 -11.258 7.160 -1.797 1.00 15.00 C ATOM 194 C GLN A 247 -10.688 8.141 -0.761 1.00 15.00 C ATOM 195 O GLN A 247 -11.334 8.452 0.240 1.00 15.00 O ATOM 196 CB GLN A 247 -11.028 5.724 -1.339 1.00 15.00 C ATOM 197 CG GLN A 247 -11.573 5.391 0.028 1.00 15.00 C ATOM 198 CD GLN A 247 -13.076 5.175 0.042 1.00 15.00 C ATOM 199 OE1 GLN A 247 -13.748 5.475 1.030 1.00 15.00 O ATOM 200 NE2 GLN A 247 -13.610 4.629 -1.039 1.00 15.00 N ATOM 0 H GLN A 247 -10.242 6.458 -3.482 1.00 15.00 H new ATOM 0 HA GLN A 247 -12.323 7.371 -1.889 1.00 15.00 H new ATOM 0 HB2 GLN A 247 -11.480 5.050 -2.067 1.00 15.00 H new ATOM 0 HB3 GLN A 247 -9.956 5.525 -1.344 1.00 15.00 H new ATOM 0 HG2 GLN A 247 -11.081 4.492 0.398 1.00 15.00 H new ATOM 0 HG3 GLN A 247 -11.323 6.198 0.717 1.00 15.00 H new ATOM 0 HE21 GLN A 247 -13.019 4.395 -1.837 1.00 15.00 H new ATOM 0 HE22 GLN A 247 -14.612 4.442 -1.074 1.00 15.00 H new ATOM 209 N GLY A 248 -9.467 8.602 -0.995 1.00 15.00 N ATOM 210 CA GLY A 248 -8.835 9.541 -0.092 1.00 15.00 C ATOM 211 C GLY A 248 -7.960 8.853 0.932 1.00 15.00 C ATOM 212 O GLY A 248 -7.607 9.441 1.956 1.00 15.00 O ATOM 0 H GLY A 248 -8.900 8.339 -1.801 1.00 15.00 H new ATOM 0 HA2 GLY A 248 -8.233 10.245 -0.667 1.00 15.00 H new ATOM 0 HA3 GLY A 248 -9.602 10.121 0.420 1.00 15.00 H new ATOM 216 N GLN A 249 -7.602 7.603 0.662 1.00 15.00 N ATOM 217 CA GLN A 249 -6.782 6.834 1.590 1.00 15.00 C ATOM 218 C GLN A 249 -5.551 6.319 0.855 1.00 15.00 C ATOM 219 O GLN A 249 -5.618 6.008 -0.338 1.00 15.00 O ATOM 220 CB GLN A 249 -7.560 5.636 2.145 1.00 15.00 C ATOM 221 CG GLN A 249 -9.053 5.859 2.238 1.00 15.00 C ATOM 222 CD GLN A 249 -9.807 4.676 2.822 1.00 15.00 C ATOM 223 OE1 GLN A 249 -10.063 4.616 4.023 1.00 15.00 O ATOM 224 NE2 GLN A 249 -10.148 3.711 1.971 1.00 15.00 N ATOM 0 H GLN A 249 -7.865 7.103 -0.187 1.00 15.00 H new ATOM 0 HA GLN A 249 -6.495 7.482 2.418 1.00 15.00 H new ATOM 0 HB2 GLN A 249 -7.372 4.769 1.512 1.00 15.00 H new ATOM 0 HB3 GLN A 249 -7.177 5.395 3.137 1.00 15.00 H new ATOM 0 HG2 GLN A 249 -9.243 6.740 2.851 1.00 15.00 H new ATOM 0 HG3 GLN A 249 -9.443 6.073 1.243 1.00 15.00 H new ATOM 0 HE21 GLN A 249 -9.917 3.799 0.981 1.00 15.00 H new ATOM 0 HE22 GLN A 249 -10.640 2.884 2.309 1.00 15.00 H new ATOM 233 N VAL A 250 -4.442 6.207 1.560 1.00 15.00 N ATOM 234 CA VAL A 250 -3.226 5.666 0.973 1.00 15.00 C ATOM 235 C VAL A 250 -3.037 4.214 1.400 1.00 15.00 C ATOM 236 O VAL A 250 -3.157 3.888 2.578 1.00 15.00 O ATOM 237 CB VAL A 250 -1.980 6.500 1.366 1.00 15.00 C ATOM 238 CG1 VAL A 250 -2.047 7.884 0.739 1.00 15.00 C ATOM 239 CG2 VAL A 250 -1.849 6.616 2.880 1.00 15.00 C ATOM 0 H VAL A 250 -4.355 6.482 2.538 1.00 15.00 H new ATOM 0 HA VAL A 250 -3.332 5.715 -0.111 1.00 15.00 H new ATOM 0 HB VAL A 250 -1.099 5.982 0.987 1.00 15.00 H new ATOM 0 HG11 VAL A 250 -1.165 8.456 1.025 1.00 15.00 H new ATOM 0 HG12 VAL A 250 -2.083 7.790 -0.346 1.00 15.00 H new ATOM 0 HG13 VAL A 250 -2.942 8.399 1.088 1.00 15.00 H new ATOM 0 HG21 VAL A 250 -0.966 7.206 3.125 1.00 15.00 H new ATOM 0 HG22 VAL A 250 -2.735 7.104 3.286 1.00 15.00 H new ATOM 0 HG23 VAL A 250 -1.752 5.621 3.314 1.00 15.00 H new ATOM 249 N TYR A 251 -2.780 3.334 0.440 1.00 15.00 N ATOM 250 CA TYR A 251 -2.473 1.953 0.768 1.00 15.00 C ATOM 251 C TYR A 251 -1.165 1.523 0.112 1.00 15.00 C ATOM 252 O TYR A 251 -0.969 1.702 -1.093 1.00 15.00 O ATOM 253 CB TYR A 251 -3.652 0.991 0.459 1.00 15.00 C ATOM 254 CG TYR A 251 -4.281 1.004 -0.936 1.00 15.00 C ATOM 255 CD1 TYR A 251 -3.747 0.259 -1.998 1.00 15.00 C ATOM 256 CD2 TYR A 251 -5.494 1.666 -1.162 1.00 15.00 C ATOM 257 CE1 TYR A 251 -4.381 0.183 -3.208 1.00 15.00 C ATOM 258 CE2 TYR A 251 -6.119 1.602 -2.391 1.00 15.00 C ATOM 259 CZ TYR A 251 -5.564 0.858 -3.406 1.00 15.00 C ATOM 260 OH TYR A 251 -6.200 0.786 -4.620 1.00 15.00 O ATOM 0 H TYR A 251 -2.778 3.550 -0.557 1.00 15.00 H new ATOM 0 HA TYR A 251 -2.330 1.891 1.847 1.00 15.00 H new ATOM 0 HB2 TYR A 251 -3.306 -0.024 0.653 1.00 15.00 H new ATOM 0 HB3 TYR A 251 -4.444 1.201 1.178 1.00 15.00 H new ATOM 0 HD1 TYR A 251 -2.814 -0.267 -1.857 1.00 15.00 H new ATOM 0 HD2 TYR A 251 -5.947 2.235 -0.363 1.00 15.00 H new ATOM 0 HE1 TYR A 251 -3.954 -0.406 -4.006 1.00 15.00 H new ATOM 0 HE2 TYR A 251 -7.043 2.136 -2.556 1.00 15.00 H new ATOM 0 HH TYR A 251 -7.022 1.319 -4.591 1.00 15.00 H new ATOM 270 N PHE A 252 -0.272 0.953 0.924 1.00 15.00 N ATOM 271 CA PHE A 252 1.088 0.634 0.492 1.00 15.00 C ATOM 272 C PHE A 252 1.161 -0.751 -0.092 1.00 15.00 C ATOM 273 O PHE A 252 1.010 -1.748 0.620 1.00 15.00 O ATOM 274 CB PHE A 252 2.069 0.727 1.658 1.00 15.00 C ATOM 275 CG PHE A 252 2.477 2.140 1.975 1.00 15.00 C ATOM 276 CD1 PHE A 252 3.110 2.913 1.018 1.00 15.00 C ATOM 277 CD2 PHE A 252 2.218 2.699 3.219 1.00 15.00 C ATOM 278 CE1 PHE A 252 3.475 4.215 1.291 1.00 15.00 C ATOM 279 CE2 PHE A 252 2.586 4.001 3.498 1.00 15.00 C ATOM 280 CZ PHE A 252 3.213 4.759 2.531 1.00 15.00 C ATOM 0 H PHE A 252 -0.470 0.702 1.892 1.00 15.00 H new ATOM 0 HA PHE A 252 1.360 1.363 -0.271 1.00 15.00 H new ATOM 0 HB2 PHE A 252 1.616 0.279 2.542 1.00 15.00 H new ATOM 0 HB3 PHE A 252 2.959 0.142 1.424 1.00 15.00 H new ATOM 0 HD1 PHE A 252 3.321 2.492 0.046 1.00 15.00 H new ATOM 0 HD2 PHE A 252 1.723 2.110 3.977 1.00 15.00 H new ATOM 0 HE1 PHE A 252 3.966 4.808 0.534 1.00 15.00 H new ATOM 0 HE2 PHE A 252 2.383 4.424 4.471 1.00 15.00 H new ATOM 0 HZ PHE A 252 3.499 5.778 2.745 1.00 15.00 H new ATOM 290 N LEU A 253 1.384 -0.813 -1.392 1.00 15.00 N ATOM 291 CA LEU A 253 1.403 -2.080 -2.088 1.00 15.00 C ATOM 292 C LEU A 253 2.771 -2.488 -2.580 1.00 15.00 C ATOM 293 O LEU A 253 3.535 -1.706 -3.146 1.00 15.00 O ATOM 294 CB LEU A 253 0.366 -2.127 -3.215 1.00 15.00 C ATOM 295 CG LEU A 253 -1.003 -2.667 -2.783 1.00 15.00 C ATOM 296 CD1 LEU A 253 -1.039 -4.157 -3.055 1.00 15.00 C ATOM 297 CD2 LEU A 253 -1.245 -2.368 -1.312 1.00 15.00 C ATOM 0 H LEU A 253 1.554 0.000 -1.984 1.00 15.00 H new ATOM 0 HA LEU A 253 1.124 -2.822 -1.340 1.00 15.00 H new ATOM 0 HB2 LEU A 253 0.238 -1.123 -3.619 1.00 15.00 H new ATOM 0 HB3 LEU A 253 0.751 -2.748 -4.023 1.00 15.00 H new ATOM 0 HG LEU A 253 -1.797 -2.181 -3.349 1.00 15.00 H new ATOM 0 HD11 LEU A 253 -2.006 -4.559 -2.754 1.00 15.00 H new ATOM 0 HD12 LEU A 253 -0.887 -4.336 -4.119 1.00 15.00 H new ATOM 0 HD13 LEU A 253 -0.249 -4.650 -2.488 1.00 15.00 H new ATOM 0 HD21 LEU A 253 -2.220 -2.756 -1.017 1.00 15.00 H new ATOM 0 HD22 LEU A 253 -0.469 -2.843 -0.712 1.00 15.00 H new ATOM 0 HD23 LEU A 253 -1.220 -1.290 -1.151 1.00 15.00 H new ATOM 309 N HIS A 254 3.032 -3.755 -2.345 1.00 15.00 N ATOM 310 CA HIS A 254 4.236 -4.433 -2.786 1.00 15.00 C ATOM 311 C HIS A 254 3.864 -5.841 -3.147 1.00 15.00 C ATOM 312 O HIS A 254 3.683 -6.671 -2.254 1.00 15.00 O ATOM 313 CB HIS A 254 5.304 -4.482 -1.677 1.00 15.00 C ATOM 314 CG HIS A 254 6.423 -5.472 -1.913 1.00 15.00 C ATOM 315 ND1 HIS A 254 6.452 -6.734 -1.343 1.00 15.00 N ATOM 316 CD2 HIS A 254 7.542 -5.387 -2.668 1.00 15.00 C ATOM 317 CE1 HIS A 254 7.535 -7.377 -1.747 1.00 15.00 C ATOM 318 NE2 HIS A 254 8.213 -6.578 -2.549 1.00 15.00 N ATOM 0 H HIS A 254 2.396 -4.361 -1.827 1.00 15.00 H new ATOM 0 HA HIS A 254 4.652 -3.889 -3.634 1.00 15.00 H new ATOM 0 HB2 HIS A 254 5.736 -3.488 -1.565 1.00 15.00 H new ATOM 0 HB3 HIS A 254 4.816 -4.726 -0.733 1.00 15.00 H new ATOM 0 HD2 HIS A 254 7.851 -4.536 -3.257 1.00 15.00 H new ATOM 0 HE1 HIS A 254 7.816 -8.382 -1.469 1.00 15.00 H new ATOM 0 HE2 HIS A 254 9.095 -6.809 -3.007 1.00 15.00 H new ATOM 327 N THR A 255 3.706 -6.151 -4.409 1.00 15.00 N ATOM 328 CA THR A 255 3.444 -7.528 -4.692 1.00 15.00 C ATOM 329 C THR A 255 4.687 -8.216 -5.217 1.00 15.00 C ATOM 330 O THR A 255 4.955 -8.272 -6.416 1.00 15.00 O ATOM 331 CB THR A 255 2.295 -7.669 -5.709 1.00 15.00 C ATOM 332 OG1 THR A 255 2.412 -6.652 -6.714 1.00 15.00 O ATOM 333 CG2 THR A 255 0.943 -7.556 -5.019 1.00 15.00 C ATOM 0 H THR A 255 3.751 -5.514 -5.205 1.00 15.00 H new ATOM 0 HA THR A 255 3.146 -8.009 -3.760 1.00 15.00 H new ATOM 0 HB THR A 255 2.364 -8.653 -6.173 1.00 15.00 H new ATOM 0 HG1 THR A 255 3.318 -6.663 -7.087 1.00 15.00 H new ATOM 0 HG21 THR A 255 0.148 -7.659 -5.757 1.00 15.00 H new ATOM 0 HG22 THR A 255 0.849 -8.344 -4.272 1.00 15.00 H new ATOM 0 HG23 THR A 255 0.863 -6.584 -4.532 1.00 15.00 H new ATOM 341 N GLN A 256 5.458 -8.698 -4.264 1.00 15.00 N ATOM 342 CA GLN A 256 6.238 -9.904 -4.376 1.00 15.00 C ATOM 343 C GLN A 256 5.494 -11.017 -3.645 1.00 15.00 C ATOM 344 O GLN A 256 5.529 -12.182 -4.033 1.00 15.00 O ATOM 345 CB GLN A 256 7.634 -9.681 -3.797 1.00 15.00 C ATOM 346 CG GLN A 256 8.542 -10.887 -3.848 1.00 15.00 C ATOM 347 CD GLN A 256 9.972 -10.534 -3.503 1.00 15.00 C ATOM 348 OE1 GLN A 256 10.369 -10.565 -2.340 1.00 15.00 O ATOM 349 NE2 GLN A 256 10.755 -10.191 -4.515 1.00 15.00 N ATOM 0 H GLN A 256 5.559 -8.240 -3.358 1.00 15.00 H new ATOM 0 HA GLN A 256 6.367 -10.187 -5.421 1.00 15.00 H new ATOM 0 HB2 GLN A 256 8.110 -8.863 -4.338 1.00 15.00 H new ATOM 0 HB3 GLN A 256 7.535 -9.362 -2.759 1.00 15.00 H new ATOM 0 HG2 GLN A 256 8.178 -11.645 -3.154 1.00 15.00 H new ATOM 0 HG3 GLN A 256 8.507 -11.325 -4.845 1.00 15.00 H new ATOM 0 HE21 GLN A 256 10.384 -10.179 -5.465 1.00 15.00 H new ATOM 0 HE22 GLN A 256 11.729 -9.939 -4.344 1.00 15.00 H new ATOM 358 N THR A 257 4.844 -10.617 -2.539 1.00 15.00 N ATOM 359 CA THR A 257 4.162 -11.524 -1.644 1.00 15.00 C ATOM 360 C THR A 257 2.843 -10.952 -1.181 1.00 15.00 C ATOM 361 O THR A 257 2.338 -11.231 -0.095 1.00 15.00 O ATOM 362 CB THR A 257 5.004 -11.787 -0.418 1.00 15.00 C ATOM 363 OG1 THR A 257 5.503 -10.541 0.102 1.00 15.00 O ATOM 364 CG2 THR A 257 6.163 -12.720 -0.715 1.00 15.00 C ATOM 0 H THR A 257 4.786 -9.640 -2.251 1.00 15.00 H new ATOM 0 HA THR A 257 3.989 -12.447 -2.197 1.00 15.00 H new ATOM 0 HB THR A 257 4.370 -12.274 0.323 1.00 15.00 H new ATOM 0 HG1 THR A 257 6.048 -10.714 0.898 1.00 15.00 H new ATOM 0 HG21 THR A 257 6.742 -12.882 0.194 1.00 15.00 H new ATOM 0 HG22 THR A 257 5.779 -13.674 -1.075 1.00 15.00 H new ATOM 0 HG23 THR A 257 6.802 -12.275 -1.478 1.00 15.00 H new ATOM 372 N GLY A 258 2.317 -10.189 -2.063 1.00 15.00 N ATOM 373 CA GLY A 258 1.047 -9.500 -1.870 1.00 15.00 C ATOM 374 C GLY A 258 0.976 -8.640 -0.613 1.00 15.00 C ATOM 375 O GLY A 258 0.321 -9.013 0.361 1.00 15.00 O ATOM 0 H GLY A 258 2.748 -10.005 -2.969 1.00 15.00 H new ATOM 0 HA2 GLY A 258 0.856 -8.869 -2.738 1.00 15.00 H new ATOM 0 HA3 GLY A 258 0.249 -10.241 -1.833 1.00 15.00 H new ATOM 379 N VAL A 259 1.650 -7.494 -0.620 1.00 15.00 N ATOM 380 CA VAL A 259 1.479 -6.523 0.461 1.00 15.00 C ATOM 381 C VAL A 259 0.421 -5.512 0.127 1.00 15.00 C ATOM 382 O VAL A 259 0.586 -4.718 -0.787 1.00 15.00 O ATOM 383 CB VAL A 259 2.770 -5.761 0.831 1.00 15.00 C ATOM 384 CG1 VAL A 259 2.475 -4.612 1.786 1.00 15.00 C ATOM 385 CG2 VAL A 259 3.720 -6.720 1.477 1.00 15.00 C ATOM 0 H VAL A 259 2.309 -7.216 -1.347 1.00 15.00 H new ATOM 0 HA VAL A 259 1.183 -7.123 1.321 1.00 15.00 H new ATOM 0 HB VAL A 259 3.207 -5.341 -0.075 1.00 15.00 H new ATOM 0 HG11 VAL A 259 3.403 -4.094 2.029 1.00 15.00 H new ATOM 0 HG12 VAL A 259 1.783 -3.915 1.314 1.00 15.00 H new ATOM 0 HG13 VAL A 259 2.028 -5.004 2.700 1.00 15.00 H new ATOM 0 HG21 VAL A 259 4.638 -6.198 1.745 1.00 15.00 H new ATOM 0 HG22 VAL A 259 3.263 -7.135 2.375 1.00 15.00 H new ATOM 0 HG23 VAL A 259 3.951 -7.527 0.782 1.00 15.00 H new ATOM 395 N SER A 260 -0.639 -5.548 0.900 1.00 15.00 N ATOM 396 CA SER A 260 -1.699 -4.545 0.825 1.00 15.00 C ATOM 397 C SER A 260 -2.088 -4.124 2.228 1.00 15.00 C ATOM 398 O SER A 260 -2.733 -4.874 2.960 1.00 15.00 O ATOM 399 CB SER A 260 -2.930 -5.032 0.033 1.00 15.00 C ATOM 400 OG SER A 260 -3.279 -6.366 0.374 1.00 15.00 O ATOM 0 H SER A 260 -0.800 -6.270 1.602 1.00 15.00 H new ATOM 0 HA SER A 260 -1.309 -3.688 0.276 1.00 15.00 H new ATOM 0 HB2 SER A 260 -3.775 -4.373 0.232 1.00 15.00 H new ATOM 0 HB3 SER A 260 -2.723 -4.972 -1.035 1.00 15.00 H new ATOM 0 HG SER A 260 -3.240 -6.476 1.347 1.00 15.00 H new ATOM 406 N THR A 261 -1.642 -2.942 2.617 1.00 15.00 N ATOM 407 CA THR A 261 -1.762 -2.524 4.008 1.00 15.00 C ATOM 408 C THR A 261 -1.897 -1.009 4.160 1.00 15.00 C ATOM 409 O THR A 261 -1.411 -0.242 3.323 1.00 15.00 O ATOM 410 CB THR A 261 -0.565 -3.025 4.842 1.00 15.00 C ATOM 411 OG1 THR A 261 -0.730 -2.651 6.213 1.00 15.00 O ATOM 412 CG2 THR A 261 0.747 -2.466 4.311 1.00 15.00 C ATOM 0 H THR A 261 -1.199 -2.261 2.001 1.00 15.00 H new ATOM 0 HA THR A 261 -2.680 -2.976 4.383 1.00 15.00 H new ATOM 0 HB THR A 261 -0.532 -4.112 4.764 1.00 15.00 H new ATOM 0 HG1 THR A 261 -0.960 -3.443 6.743 1.00 15.00 H new ATOM 0 HG21 THR A 261 1.573 -2.836 4.919 1.00 15.00 H new ATOM 0 HG22 THR A 261 0.886 -2.783 3.278 1.00 15.00 H new ATOM 0 HG23 THR A 261 0.723 -1.377 4.356 1.00 15.00 H new ATOM 420 N TRP A 262 -2.593 -0.595 5.220 1.00 15.00 N ATOM 421 CA TRP A 262 -2.666 0.811 5.600 1.00 15.00 C ATOM 422 C TRP A 262 -1.310 1.326 6.066 1.00 15.00 C ATOM 423 O TRP A 262 -0.950 2.475 5.818 1.00 15.00 O ATOM 424 CB TRP A 262 -3.641 1.025 6.760 1.00 15.00 C ATOM 425 CG TRP A 262 -5.092 0.864 6.439 1.00 15.00 C ATOM 426 CD1 TRP A 262 -5.973 0.018 7.054 1.00 15.00 C ATOM 427 CD2 TRP A 262 -5.847 1.569 5.448 1.00 15.00 C ATOM 428 NE1 TRP A 262 -7.220 0.178 6.536 1.00 15.00 N ATOM 429 CE2 TRP A 262 -7.171 1.113 5.548 1.00 15.00 C ATOM 430 CE3 TRP A 262 -5.543 2.545 4.488 1.00 15.00 C ATOM 431 CZ2 TRP A 262 -8.179 1.593 4.742 1.00 15.00 C ATOM 432 CZ3 TRP A 262 -6.564 3.010 3.678 1.00 15.00 C ATOM 433 CH2 TRP A 262 -7.862 2.528 3.823 1.00 15.00 C ATOM 0 H TRP A 262 -3.116 -1.221 5.832 1.00 15.00 H new ATOM 0 HA TRP A 262 -3.001 1.348 4.713 1.00 15.00 H new ATOM 0 HB2 TRP A 262 -3.386 0.325 7.556 1.00 15.00 H new ATOM 0 HB3 TRP A 262 -3.487 2.028 7.157 1.00 15.00 H new ATOM 0 HD1 TRP A 262 -5.715 -0.678 7.839 1.00 15.00 H new ATOM 0 HE1 TRP A 262 -8.056 -0.321 6.839 1.00 15.00 H new ATOM 0 HE3 TRP A 262 -4.537 2.924 4.383 1.00 15.00 H new ATOM 0 HZ2 TRP A 262 -9.192 1.232 4.843 1.00 15.00 H new ATOM 0 HZ3 TRP A 262 -6.352 3.755 2.925 1.00 15.00 H new ATOM 0 HH2 TRP A 262 -8.639 2.915 3.180 1.00 15.00 H new ATOM 444 N HIS A 263 -0.577 0.479 6.785 1.00 15.00 N ATOM 445 CA HIS A 263 0.615 0.928 7.493 1.00 15.00 C ATOM 446 C HIS A 263 1.792 1.079 6.545 1.00 15.00 C ATOM 447 O HIS A 263 2.026 0.225 5.689 1.00 15.00 O ATOM 448 CB HIS A 263 0.971 -0.030 8.654 1.00 15.00 C ATOM 449 CG HIS A 263 1.898 -1.168 8.305 1.00 15.00 C ATOM 450 ND1 HIS A 263 3.270 -1.089 8.451 1.00 15.00 N ATOM 451 CD2 HIS A 263 1.649 -2.416 7.837 1.00 15.00 C ATOM 452 CE1 HIS A 263 3.818 -2.237 8.091 1.00 15.00 C ATOM 453 NE2 HIS A 263 2.855 -3.057 7.715 1.00 15.00 N ATOM 0 H HIS A 263 -0.787 -0.514 6.891 1.00 15.00 H new ATOM 0 HA HIS A 263 0.394 1.907 7.918 1.00 15.00 H new ATOM 0 HB2 HIS A 263 1.427 0.553 9.454 1.00 15.00 H new ATOM 0 HB3 HIS A 263 0.046 -0.448 9.051 1.00 15.00 H new ATOM 0 HD1 HIS A 263 3.781 -0.272 8.785 1.00 15.00 H new ATOM 0 HD2 HIS A 263 0.679 -2.829 7.603 1.00 15.00 H new ATOM 0 HE1 HIS A 263 4.874 -2.465 8.103 1.00 15.00 H new ATOM 462 N ASP A 264 2.528 2.166 6.713 1.00 15.00 N ATOM 463 CA ASP A 264 3.778 2.360 5.998 1.00 15.00 C ATOM 464 C ASP A 264 4.705 1.187 6.300 1.00 15.00 C ATOM 465 O ASP A 264 4.921 0.842 7.455 1.00 15.00 O ATOM 466 CB ASP A 264 4.419 3.684 6.420 1.00 15.00 C ATOM 467 CG ASP A 264 5.590 4.078 5.546 1.00 15.00 C ATOM 468 OD1 ASP A 264 6.572 3.315 5.484 1.00 15.00 O ATOM 469 OD2 ASP A 264 5.535 5.159 4.921 1.00 15.00 O1- ATOM 0 H ASP A 264 2.279 2.930 7.341 1.00 15.00 H new ATOM 0 HA ASP A 264 3.593 2.402 4.925 1.00 15.00 H new ATOM 0 HB2 ASP A 264 3.667 4.472 6.388 1.00 15.00 H new ATOM 0 HB3 ASP A 264 4.754 3.606 7.454 1.00 15.00 H new ATOM 474 N PRO A 265 5.242 0.535 5.277 1.00 15.00 N ATOM 475 CA PRO A 265 6.049 -0.666 5.460 1.00 15.00 C ATOM 476 C PRO A 265 7.447 -0.370 5.970 1.00 15.00 C ATOM 477 O PRO A 265 8.168 -1.269 6.410 1.00 15.00 O ATOM 478 CB PRO A 265 6.079 -1.284 4.072 1.00 15.00 C ATOM 479 CG PRO A 265 5.933 -0.128 3.141 1.00 15.00 C ATOM 480 CD PRO A 265 5.109 0.906 3.860 1.00 15.00 C ATOM 0 HA PRO A 265 5.630 -1.327 6.219 1.00 15.00 H new ATOM 0 HB2 PRO A 265 7.012 -1.819 3.896 1.00 15.00 H new ATOM 0 HB3 PRO A 265 5.270 -2.003 3.941 1.00 15.00 H new ATOM 0 HG2 PRO A 265 6.908 0.275 2.869 1.00 15.00 H new ATOM 0 HG3 PRO A 265 5.446 -0.436 2.216 1.00 15.00 H new ATOM 0 HD2 PRO A 265 5.480 1.914 3.674 1.00 15.00 H new ATOM 0 HD3 PRO A 265 4.068 0.884 3.536 1.00 15.00 H new ATOM 488 N ARG A 266 7.830 0.885 5.887 1.00 15.00 N ATOM 489 CA ARG A 266 9.090 1.342 6.436 1.00 15.00 C ATOM 490 C ARG A 266 8.952 1.445 7.943 1.00 15.00 C ATOM 491 O ARG A 266 9.921 1.660 8.671 1.00 15.00 O ATOM 492 CB ARG A 266 9.405 2.694 5.839 1.00 15.00 C ATOM 493 CG ARG A 266 10.827 3.184 6.055 1.00 15.00 C ATOM 494 CD ARG A 266 11.828 2.443 5.190 1.00 15.00 C ATOM 495 NE ARG A 266 12.999 3.271 4.910 1.00 15.00 N ATOM 496 CZ ARG A 266 14.207 2.795 4.620 1.00 15.00 C ATOM 497 NH1 ARG A 266 14.434 1.487 4.633 1.00 15.00 N1+ ATOM 498 NH2 ARG A 266 15.191 3.635 4.328 1.00 15.00 N ATOM 0 H ARG A 266 7.279 1.617 5.438 1.00 15.00 H new ATOM 0 HA ARG A 266 9.897 0.648 6.201 1.00 15.00 H new ATOM 0 HB2 ARG A 266 9.211 2.654 4.767 1.00 15.00 H new ATOM 0 HB3 ARG A 266 8.718 3.428 6.260 1.00 15.00 H new ATOM 0 HG2 ARG A 266 10.879 4.250 5.835 1.00 15.00 H new ATOM 0 HG3 ARG A 266 11.096 3.062 7.104 1.00 15.00 H new ATOM 0 HD2 ARG A 266 12.139 1.527 5.692 1.00 15.00 H new ATOM 0 HD3 ARG A 266 11.355 2.148 4.253 1.00 15.00 H new ATOM 0 HE ARG A 266 12.882 4.284 4.939 1.00 15.00 H new ATOM 0 HH11 ARG A 266 13.680 0.841 4.866 1.00 15.00 H new ATOM 0 HH12 ARG A 266 15.362 1.128 4.410 1.00 15.00 H new ATOM 0 HH21 ARG A 266 15.020 4.640 4.327 1.00 15.00 H new ATOM 0 HH22 ARG A 266 16.119 3.275 4.105 1.00 15.00 H new ATOM 574 N ASP B 211 -3.416 -4.788 -7.430 1.00 15.00 N ATOM 575 CA ASP B 211 -4.423 -5.823 -7.645 1.00 15.00 C ATOM 576 C ASP B 211 -5.494 -5.884 -6.518 1.00 15.00 C ATOM 577 O ASP B 211 -6.573 -6.437 -6.744 1.00 15.00 O ATOM 578 CB ASP B 211 -3.746 -7.193 -7.785 1.00 15.00 C ATOM 579 CG ASP B 211 -4.724 -8.319 -8.081 1.00 15.00 C ATOM 580 OD1 ASP B 211 -5.243 -8.938 -7.126 1.00 15.00 O ATOM 581 OD2 ASP B 211 -4.972 -8.602 -9.272 1.00 15.00 O1- ATOM 0 HA ASP B 211 -4.945 -5.560 -8.565 1.00 15.00 H new ATOM 0 HB2 ASP B 211 -3.006 -7.145 -8.583 1.00 15.00 H new ATOM 0 HB3 ASP B 211 -3.208 -7.421 -6.865 1.00 15.00 H new ATOM 586 N PRO B 212 -5.250 -5.339 -5.291 1.00 15.00 N ATOM 587 CA PRO B 212 -6.138 -5.534 -4.160 1.00 15.00 C ATOM 588 C PRO B 212 -7.187 -4.435 -4.049 1.00 15.00 C ATOM 589 O PRO B 212 -7.008 -3.333 -4.567 1.00 15.00 O ATOM 590 CB PRO B 212 -5.166 -5.447 -2.988 1.00 15.00 C ATOM 591 CG PRO B 212 -4.188 -4.460 -3.387 1.00 15.00 C ATOM 592 CD PRO B 212 -4.152 -4.443 -4.888 1.00 15.00 C ATOM 0 HA PRO B 212 -6.707 -6.461 -4.223 1.00 15.00 H new ATOM 0 HB2 PRO B 212 -5.677 -5.149 -2.072 1.00 15.00 H new ATOM 0 HB3 PRO B 212 -4.697 -6.411 -2.792 1.00 15.00 H new ATOM 0 HG2 PRO B 212 -4.455 -3.477 -2.999 1.00 15.00 H new ATOM 0 HG3 PRO B 212 -3.206 -4.707 -2.983 1.00 15.00 H new ATOM 0 HD2 PRO B 212 -4.298 -3.436 -5.278 1.00 15.00 H new ATOM 0 HD3 PRO B 212 -3.192 -4.795 -5.266 1.00 15.00 H new ATOM 600 N GLY B 213 -8.253 -4.723 -3.333 1.00 15.00 N ATOM 601 CA GLY B 213 -9.258 -3.722 -3.083 1.00 15.00 C ATOM 602 C GLY B 213 -8.937 -2.956 -1.823 1.00 15.00 C ATOM 603 O GLY B 213 -8.163 -3.427 -0.986 1.00 15.00 O ATOM 0 H GLY B 213 -8.442 -5.636 -2.918 1.00 15.00 H new ATOM 0 HA2 GLY B 213 -9.315 -3.036 -3.928 1.00 15.00 H new ATOM 0 HA3 GLY B 213 -10.236 -4.195 -2.989 1.00 15.00 H new ATOM 621 N PRO B 215 -9.541 -0.957 1.830 1.00 15.00 N ATOM 622 CA PRO B 215 -10.245 -1.280 3.069 1.00 15.00 C ATOM 623 C PRO B 215 -11.139 -0.141 3.547 1.00 15.00 C ATOM 624 O PRO B 215 -10.718 1.007 3.662 1.00 15.00 O ATOM 625 CB PRO B 215 -9.083 -1.505 4.070 1.00 15.00 C ATOM 626 CG PRO B 215 -7.834 -1.428 3.247 1.00 15.00 C ATOM 627 CD PRO B 215 -8.181 -0.519 2.107 1.00 15.00 C ATOM 0 HA PRO B 215 -10.914 -2.133 2.954 1.00 15.00 H new ATOM 0 HB2 PRO B 215 -9.086 -0.747 4.853 1.00 15.00 H new ATOM 0 HB3 PRO B 215 -9.170 -2.473 4.563 1.00 15.00 H new ATOM 0 HG2 PRO B 215 -7.001 -1.033 3.828 1.00 15.00 H new ATOM 0 HG3 PRO B 215 -7.534 -2.413 2.890 1.00 15.00 H new ATOM 0 HD2 PRO B 215 -8.132 0.534 2.385 1.00 15.00 H new ATOM 0 HD3 PRO B 215 -7.519 -0.654 1.252 1.00 15.00 H new ATOM 635 N PHE B 216 -12.396 -0.475 3.779 1.00 15.00 N ATOM 636 CA PHE B 216 -13.372 0.487 4.255 1.00 15.00 C ATOM 637 C PHE B 216 -13.529 0.366 5.760 1.00 15.00 C ATOM 638 O PHE B 216 -13.981 -0.660 6.268 1.00 15.00 O ATOM 639 CB PHE B 216 -14.721 0.268 3.565 1.00 15.00 C ATOM 640 CG PHE B 216 -14.659 0.413 2.072 1.00 15.00 C ATOM 641 CD1 PHE B 216 -14.503 -0.699 1.261 1.00 15.00 C ATOM 642 CD2 PHE B 216 -14.756 1.660 1.479 1.00 15.00 C ATOM 643 CE1 PHE B 216 -14.447 -0.569 -0.113 1.00 15.00 C ATOM 644 CE2 PHE B 216 -14.700 1.796 0.106 1.00 15.00 C ATOM 645 CZ PHE B 216 -14.547 0.679 -0.691 1.00 15.00 C ATOM 0 H PHE B 216 -12.767 -1.415 3.643 1.00 15.00 H new ATOM 0 HA PHE B 216 -13.019 1.490 4.014 1.00 15.00 H new ATOM 0 HB2 PHE B 216 -15.089 -0.728 3.811 1.00 15.00 H new ATOM 0 HB3 PHE B 216 -15.443 0.981 3.962 1.00 15.00 H new ATOM 0 HD1 PHE B 216 -14.424 -1.679 1.708 1.00 15.00 H new ATOM 0 HD2 PHE B 216 -14.877 2.537 2.098 1.00 15.00 H new ATOM 0 HE1 PHE B 216 -14.325 -1.444 -0.734 1.00 15.00 H new ATOM 0 HE2 PHE B 216 -14.776 2.775 -0.344 1.00 15.00 H new ATOM 0 HZ PHE B 216 -14.506 0.783 -1.765 1.00 15.00 H new