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 120:sc= -1.51! USER MOD Set 1.2: A 263 HIS : no HE2:sc= -1.83! K(o=-3.3!,f=1.6) USER MOD Set 2.1: A 254 HIS : no HD1:sc= -2.04 K(o=-2,f=-0.24) USER MOD Set 2.2: A 256 GLN : amide:sc= 0 K(o=-2,f=-0.86) USER MOD Single : A 240 TYR OH : rot 180:sc= 0 USER MOD Single : A 242 GLN : amide:sc= 0 X(o=0,f=-0.5) USER MOD Single : A 244 THR OG1 : rot 48:sc= 0.0958 USER MOD Single : A 245 THR OG1 : rot -145:sc= 1.68 USER MOD Single : A 247 GLN : amide:sc= -1.08! K(o=-1.1!,f=0.0085) USER MOD Single : A 249 GLN : amide:sc= 0.738 K(o=0.74,f=0) USER MOD Single : A 251 TYR OH : rot 70:sc= -0.0563 USER MOD Single : A 255 THR OG1 : rot 180:sc= 0 USER MOD Single : A 257 THR OG1 : rot -49:sc= 0.11 USER MOD Single : A 260 SER OG : rot 43:sc= 0.0717 USER MOD ----------------------------------------------------------------- ATOM 16 N LEU A 236 10.160 4.431 1.312 1.00 15.00 N ATOM 17 CA LEU A 236 10.065 3.029 1.691 1.00 15.00 C ATOM 18 C LEU A 236 11.292 2.278 1.211 1.00 15.00 C ATOM 19 O LEU A 236 12.114 2.822 0.470 1.00 15.00 O ATOM 20 CB LEU A 236 8.821 2.349 1.074 1.00 15.00 C ATOM 21 CG LEU A 236 7.470 3.045 1.273 1.00 15.00 C ATOM 22 CD1 LEU A 236 7.282 3.434 2.724 1.00 15.00 C ATOM 23 CD2 LEU A 236 7.332 4.252 0.359 1.00 15.00 C ATOM 0 HA LEU A 236 9.987 2.997 2.778 1.00 15.00 H new ATOM 0 HB2 LEU A 236 8.991 2.242 0.003 1.00 15.00 H new ATOM 0 HB3 LEU A 236 8.747 1.343 1.487 1.00 15.00 H new ATOM 0 HG LEU A 236 6.683 2.340 1.004 1.00 15.00 H new ATOM 0 HD11 LEU A 236 6.318 3.927 2.847 1.00 15.00 H new ATOM 0 HD12 LEU A 236 7.315 2.540 3.347 1.00 15.00 H new ATOM 0 HD13 LEU A 236 8.078 4.115 3.024 1.00 15.00 H new ATOM 0 HD21 LEU A 236 6.363 4.724 0.524 1.00 15.00 H new ATOM 0 HD22 LEU A 236 8.126 4.966 0.577 1.00 15.00 H new ATOM 0 HD23 LEU A 236 7.408 3.932 -0.680 1.00 15.00 H new ATOM 35 N PRO A 237 11.425 1.012 1.619 1.00 15.00 N ATOM 36 CA PRO A 237 12.355 0.095 0.971 1.00 15.00 C ATOM 37 C PRO A 237 11.850 -0.235 -0.422 1.00 15.00 C ATOM 38 O PRO A 237 10.648 -0.184 -0.688 1.00 15.00 O ATOM 39 CB PRO A 237 12.326 -1.156 1.863 1.00 15.00 C ATOM 40 CG PRO A 237 11.666 -0.737 3.135 1.00 15.00 C ATOM 41 CD PRO A 237 10.766 0.414 2.793 1.00 15.00 C ATOM 0 HA PRO A 237 13.360 0.504 0.862 1.00 15.00 H new ATOM 0 HB2 PRO A 237 11.773 -1.964 1.384 1.00 15.00 H new ATOM 0 HB3 PRO A 237 13.334 -1.526 2.050 1.00 15.00 H new ATOM 0 HG2 PRO A 237 11.095 -1.560 3.565 1.00 15.00 H new ATOM 0 HG3 PRO A 237 12.408 -0.442 3.877 1.00 15.00 H new ATOM 0 HD2 PRO A 237 9.754 0.081 2.562 1.00 15.00 H new ATOM 0 HD3 PRO A 237 10.687 1.123 3.617 1.00 15.00 H new ATOM 49 N GLU A 238 12.764 -0.591 -1.298 1.00 15.00 N ATOM 50 CA GLU A 238 12.436 -0.743 -2.707 1.00 15.00 C ATOM 51 C GLU A 238 11.546 -1.960 -2.929 1.00 15.00 C ATOM 52 O GLU A 238 11.906 -3.090 -2.589 1.00 15.00 O ATOM 53 CB GLU A 238 13.716 -0.857 -3.535 1.00 15.00 C ATOM 54 CG GLU A 238 13.468 -1.019 -5.024 1.00 15.00 C ATOM 55 CD GLU A 238 14.750 -1.015 -5.822 1.00 15.00 C ATOM 56 OE1 GLU A 238 15.023 -0.010 -6.510 1.00 15.00 O ATOM 57 OE2 GLU A 238 15.498 -2.013 -5.760 1.00 15.00 O1- ATOM 0 H GLU A 238 13.739 -0.781 -1.065 1.00 15.00 H new ATOM 0 HA GLU A 238 11.886 0.141 -3.030 1.00 15.00 H new ATOM 0 HB2 GLU A 238 14.324 0.033 -3.372 1.00 15.00 H new ATOM 0 HB3 GLU A 238 14.295 -1.709 -3.177 1.00 15.00 H new ATOM 0 HG2 GLU A 238 12.935 -1.953 -5.202 1.00 15.00 H new ATOM 0 HG3 GLU A 238 12.823 -0.212 -5.373 1.00 15.00 H new ATOM 64 N GLY A 239 10.373 -1.704 -3.498 1.00 15.00 N ATOM 65 CA GLY A 239 9.395 -2.747 -3.717 1.00 15.00 C ATOM 66 C GLY A 239 7.986 -2.270 -3.424 1.00 15.00 C ATOM 67 O GLY A 239 7.012 -2.851 -3.904 1.00 15.00 O ATOM 0 H GLY A 239 10.082 -0.779 -3.814 1.00 15.00 H new ATOM 0 HA2 GLY A 239 9.455 -3.090 -4.750 1.00 15.00 H new ATOM 0 HA3 GLY A 239 9.628 -3.602 -3.083 1.00 15.00 H new ATOM 71 N TYR A 240 7.874 -1.212 -2.627 1.00 15.00 N ATOM 72 CA TYR A 240 6.572 -0.654 -2.273 1.00 15.00 C ATOM 73 C TYR A 240 6.235 0.516 -3.176 1.00 15.00 C ATOM 74 O TYR A 240 7.029 1.443 -3.323 1.00 15.00 O ATOM 75 CB TYR A 240 6.557 -0.151 -0.822 1.00 15.00 C ATOM 76 CG TYR A 240 6.948 -1.186 0.199 1.00 15.00 C ATOM 77 CD1 TYR A 240 8.249 -1.271 0.660 1.00 15.00 C ATOM 78 CD2 TYR A 240 6.019 -2.082 0.691 1.00 15.00 C ATOM 79 CE1 TYR A 240 8.620 -2.226 1.578 1.00 15.00 C ATOM 80 CE2 TYR A 240 6.374 -3.039 1.615 1.00 15.00 C ATOM 81 CZ TYR A 240 7.680 -3.112 2.056 1.00 15.00 C ATOM 82 OH TYR A 240 8.042 -4.078 2.967 1.00 15.00 O ATOM 0 H TYR A 240 8.668 -0.723 -2.214 1.00 15.00 H new ATOM 0 HA TYR A 240 5.838 -1.451 -2.392 1.00 15.00 H new ATOM 0 HB2 TYR A 240 7.234 0.699 -0.738 1.00 15.00 H new ATOM 0 HB3 TYR A 240 5.557 0.214 -0.587 1.00 15.00 H new ATOM 0 HD1 TYR A 240 8.988 -0.574 0.292 1.00 15.00 H new ATOM 0 HD2 TYR A 240 4.997 -2.031 0.345 1.00 15.00 H new ATOM 0 HE1 TYR A 240 9.642 -2.281 1.922 1.00 15.00 H new ATOM 0 HE2 TYR A 240 5.634 -3.729 1.993 1.00 15.00 H new ATOM 0 HH TYR A 240 7.258 -4.618 3.200 1.00 15.00 H new ATOM 92 N GLU A 241 5.058 0.485 -3.761 1.00 15.00 N ATOM 93 CA GLU A 241 4.568 1.618 -4.515 1.00 15.00 C ATOM 94 C GLU A 241 3.548 2.381 -3.675 1.00 15.00 C ATOM 95 O GLU A 241 2.621 1.790 -3.112 1.00 15.00 O ATOM 96 CB GLU A 241 3.980 1.166 -5.857 1.00 15.00 C ATOM 97 CG GLU A 241 2.961 0.044 -5.754 1.00 15.00 C ATOM 98 CD GLU A 241 2.650 -0.571 -7.104 1.00 15.00 C ATOM 99 OE1 GLU A 241 1.958 0.078 -7.917 1.00 15.00 O ATOM 100 OE2 GLU A 241 3.106 -1.702 -7.369 1.00 15.00 O1- ATOM 0 H GLU A 241 4.422 -0.312 -3.729 1.00 15.00 H new ATOM 0 HA GLU A 241 5.396 2.289 -4.743 1.00 15.00 H new ATOM 0 HB2 GLU A 241 3.510 2.023 -6.340 1.00 15.00 H new ATOM 0 HB3 GLU A 241 4.794 0.842 -6.505 1.00 15.00 H new ATOM 0 HG2 GLU A 241 3.339 -0.728 -5.083 1.00 15.00 H new ATOM 0 HG3 GLU A 241 2.042 0.429 -5.311 1.00 15.00 H new ATOM 107 N GLN A 242 3.719 3.694 -3.594 1.00 15.00 N ATOM 108 CA GLN A 242 2.886 4.516 -2.731 1.00 15.00 C ATOM 109 C GLN A 242 1.661 4.990 -3.493 1.00 15.00 C ATOM 110 O GLN A 242 1.767 5.722 -4.478 1.00 15.00 O ATOM 111 CB GLN A 242 3.687 5.711 -2.209 1.00 15.00 C ATOM 112 CG GLN A 242 2.911 6.598 -1.244 1.00 15.00 C ATOM 113 CD GLN A 242 3.749 7.732 -0.693 1.00 15.00 C ATOM 114 OE1 GLN A 242 4.658 8.227 -1.357 1.00 15.00 O ATOM 115 NE2 GLN A 242 3.454 8.147 0.529 1.00 15.00 N ATOM 0 H GLN A 242 4.427 4.211 -4.116 1.00 15.00 H new ATOM 0 HA GLN A 242 2.559 3.920 -1.879 1.00 15.00 H new ATOM 0 HB2 GLN A 242 4.584 5.345 -1.710 1.00 15.00 H new ATOM 0 HB3 GLN A 242 4.017 6.313 -3.056 1.00 15.00 H new ATOM 0 HG2 GLN A 242 2.040 7.009 -1.755 1.00 15.00 H new ATOM 0 HG3 GLN A 242 2.539 5.992 -0.418 1.00 15.00 H new ATOM 0 HE21 GLN A 242 2.692 7.709 1.046 1.00 15.00 H new ATOM 0 HE22 GLN A 242 3.989 8.905 0.953 1.00 15.00 H new ATOM 124 N ARG A 243 0.501 4.551 -3.039 1.00 15.00 N ATOM 125 CA ARG A 243 -0.735 4.814 -3.744 1.00 15.00 C ATOM 126 C ARG A 243 -1.501 5.954 -3.095 1.00 15.00 C ATOM 127 O ARG A 243 -1.437 6.149 -1.886 1.00 15.00 O ATOM 128 CB ARG A 243 -1.596 3.558 -3.775 1.00 15.00 C ATOM 129 CG ARG A 243 -2.482 3.489 -4.995 1.00 15.00 C ATOM 130 CD ARG A 243 -2.358 2.140 -5.664 1.00 15.00 C ATOM 131 NE ARG A 243 -2.396 2.253 -7.114 1.00 15.00 N ATOM 132 CZ ARG A 243 -1.390 1.887 -7.903 1.00 15.00 C ATOM 133 NH1 ARG A 243 -0.315 1.316 -7.375 1.00 15.00 N1+ ATOM 134 NH2 ARG A 243 -1.460 2.070 -9.213 1.00 15.00 N ATOM 0 H ARG A 243 0.392 4.009 -2.182 1.00 15.00 H new ATOM 0 HA ARG A 243 -0.489 5.106 -4.765 1.00 15.00 H new ATOM 0 HB2 ARG A 243 -0.951 2.680 -3.749 1.00 15.00 H new ATOM 0 HB3 ARG A 243 -2.216 3.525 -2.879 1.00 15.00 H new ATOM 0 HG2 ARG A 243 -3.519 3.666 -4.709 1.00 15.00 H new ATOM 0 HG3 ARG A 243 -2.206 4.276 -5.697 1.00 15.00 H new ATOM 0 HD2 ARG A 243 -1.424 1.668 -5.360 1.00 15.00 H new ATOM 0 HD3 ARG A 243 -3.167 1.491 -5.328 1.00 15.00 H new ATOM 0 HE ARG A 243 -3.238 2.632 -7.548 1.00 15.00 H new ATOM 0 HH11 ARG A 243 -0.263 1.160 -6.368 1.00 15.00 H new ATOM 0 HH12 ARG A 243 0.459 1.033 -7.976 1.00 15.00 H new ATOM 0 HH21 ARG A 243 -2.291 2.495 -9.625 1.00 15.00 H new ATOM 0 HH22 ARG A 243 -0.683 1.786 -9.810 1.00 15.00 H new ATOM 148 N THR A 244 -2.247 6.670 -3.912 1.00 15.00 N ATOM 149 CA THR A 244 -3.024 7.810 -3.469 1.00 15.00 C ATOM 150 C THR A 244 -4.458 7.664 -3.961 1.00 15.00 C ATOM 151 O THR A 244 -4.777 7.963 -5.113 1.00 15.00 O ATOM 152 CB THR A 244 -2.413 9.129 -3.980 1.00 15.00 C ATOM 153 OG1 THR A 244 -2.030 8.981 -5.357 1.00 15.00 O ATOM 154 CG2 THR A 244 -1.202 9.533 -3.146 1.00 15.00 C ATOM 0 H THR A 244 -2.332 6.476 -4.910 1.00 15.00 H new ATOM 0 HA THR A 244 -3.014 7.840 -2.379 1.00 15.00 H new ATOM 0 HB THR A 244 -3.164 9.914 -3.890 1.00 15.00 H new ATOM 0 HG1 THR A 244 -2.764 8.567 -5.858 1.00 15.00 H new ATOM 0 HG21 THR A 244 -0.791 10.467 -3.529 1.00 15.00 H new ATOM 0 HG22 THR A 244 -1.504 9.669 -2.108 1.00 15.00 H new ATOM 0 HG23 THR A 244 -0.443 8.752 -3.204 1.00 15.00 H new ATOM 162 N THR A 245 -5.311 7.179 -3.085 1.00 15.00 N ATOM 163 CA THR A 245 -6.643 6.756 -3.460 1.00 15.00 C ATOM 164 C THR A 245 -7.653 7.888 -3.361 1.00 15.00 C ATOM 165 O THR A 245 -7.519 8.792 -2.531 1.00 15.00 O ATOM 166 CB THR A 245 -7.088 5.623 -2.533 1.00 15.00 C ATOM 167 OG1 THR A 245 -5.956 4.845 -2.160 1.00 15.00 O ATOM 168 CG2 THR A 245 -8.122 4.723 -3.191 1.00 15.00 C ATOM 0 H THR A 245 -5.101 7.067 -2.093 1.00 15.00 H new ATOM 0 HA THR A 245 -6.604 6.425 -4.498 1.00 15.00 H new ATOM 0 HB THR A 245 -7.548 6.074 -1.654 1.00 15.00 H new ATOM 0 HG1 THR A 245 -6.218 3.904 -2.080 1.00 15.00 H new ATOM 0 HG21 THR A 245 -8.410 3.932 -2.498 1.00 15.00 H new ATOM 0 HG22 THR A 245 -9.001 5.311 -3.456 1.00 15.00 H new ATOM 0 HG23 THR A 245 -7.698 4.279 -4.092 1.00 15.00 H new ATOM 176 N VAL A 246 -8.674 7.819 -4.213 1.00 15.00 N ATOM 177 CA VAL A 246 -9.818 8.721 -4.140 1.00 15.00 C ATOM 178 C VAL A 246 -10.538 8.565 -2.803 1.00 15.00 C ATOM 179 O VAL A 246 -11.285 9.442 -2.372 1.00 15.00 O ATOM 180 CB VAL A 246 -10.817 8.455 -5.284 1.00 15.00 C ATOM 181 CG1 VAL A 246 -10.249 8.925 -6.615 1.00 15.00 C ATOM 182 CG2 VAL A 246 -11.181 6.976 -5.356 1.00 15.00 C ATOM 0 H VAL A 246 -8.730 7.138 -4.970 1.00 15.00 H new ATOM 0 HA VAL A 246 -9.436 9.738 -4.235 1.00 15.00 H new ATOM 0 HB VAL A 246 -11.724 9.022 -5.075 1.00 15.00 H new ATOM 0 HG11 VAL A 246 -10.970 8.728 -7.408 1.00 15.00 H new ATOM 0 HG12 VAL A 246 -10.046 9.995 -6.567 1.00 15.00 H new ATOM 0 HG13 VAL A 246 -9.323 8.389 -6.825 1.00 15.00 H new ATOM 0 HG21 VAL A 246 -11.887 6.814 -6.171 1.00 15.00 H new ATOM 0 HG22 VAL A 246 -10.281 6.388 -5.534 1.00 15.00 H new ATOM 0 HG23 VAL A 246 -11.636 6.667 -4.415 1.00 15.00 H new ATOM 192 N GLN A 247 -10.298 7.421 -2.176 1.00 15.00 N ATOM 193 CA GLN A 247 -10.782 7.120 -0.829 1.00 15.00 C ATOM 194 C GLN A 247 -10.296 8.152 0.184 1.00 15.00 C ATOM 195 O GLN A 247 -10.870 8.300 1.263 1.00 15.00 O ATOM 196 CB GLN A 247 -10.278 5.741 -0.401 1.00 15.00 C ATOM 197 CG GLN A 247 -10.819 4.596 -1.231 1.00 15.00 C ATOM 198 CD GLN A 247 -12.245 4.236 -0.873 1.00 15.00 C ATOM 199 OE1 GLN A 247 -13.026 3.822 -1.729 1.00 15.00 O ATOM 200 NE2 GLN A 247 -12.583 4.354 0.402 1.00 15.00 N ATOM 0 H GLN A 247 -9.755 6.664 -2.591 1.00 15.00 H new ATOM 0 HA GLN A 247 -11.871 7.142 -0.855 1.00 15.00 H new ATOM 0 HB2 GLN A 247 -9.189 5.732 -0.456 1.00 15.00 H new ATOM 0 HB3 GLN A 247 -10.546 5.577 0.643 1.00 15.00 H new ATOM 0 HG2 GLN A 247 -10.770 4.864 -2.287 1.00 15.00 H new ATOM 0 HG3 GLN A 247 -10.183 3.722 -1.094 1.00 15.00 H new ATOM 0 HE21 GLN A 247 -11.904 4.702 1.079 1.00 15.00 H new ATOM 0 HE22 GLN A 247 -13.522 4.097 0.707 1.00 15.00 H new ATOM 209 N GLY A 248 -9.213 8.833 -0.157 1.00 15.00 N ATOM 210 CA GLY A 248 -8.592 9.756 0.771 1.00 15.00 C ATOM 211 C GLY A 248 -7.636 9.023 1.680 1.00 15.00 C ATOM 212 O GLY A 248 -7.320 9.474 2.782 1.00 15.00 O ATOM 0 H GLY A 248 -8.751 8.763 -1.064 1.00 15.00 H new ATOM 0 HA2 GLY A 248 -8.059 10.531 0.221 1.00 15.00 H new ATOM 0 HA3 GLY A 248 -9.358 10.256 1.365 1.00 15.00 H new ATOM 216 N GLN A 249 -7.182 7.878 1.191 1.00 15.00 N ATOM 217 CA GLN A 249 -6.334 6.976 1.945 1.00 15.00 C ATOM 218 C GLN A 249 -5.128 6.602 1.092 1.00 15.00 C ATOM 219 O GLN A 249 -5.214 6.604 -0.134 1.00 15.00 O ATOM 220 CB GLN A 249 -7.100 5.701 2.299 1.00 15.00 C ATOM 221 CG GLN A 249 -8.537 5.922 2.734 1.00 15.00 C ATOM 222 CD GLN A 249 -8.690 6.004 4.235 1.00 15.00 C ATOM 223 OE1 GLN A 249 -8.599 7.077 4.831 1.00 15.00 O ATOM 224 NE2 GLN A 249 -8.938 4.864 4.854 1.00 15.00 N ATOM 0 H GLN A 249 -7.396 7.549 0.250 1.00 15.00 H new ATOM 0 HA GLN A 249 -6.015 7.470 2.863 1.00 15.00 H new ATOM 0 HB2 GLN A 249 -7.095 5.039 1.433 1.00 15.00 H new ATOM 0 HB3 GLN A 249 -6.568 5.185 3.098 1.00 15.00 H new ATOM 0 HG2 GLN A 249 -8.910 6.842 2.285 1.00 15.00 H new ATOM 0 HG3 GLN A 249 -9.156 5.109 2.354 1.00 15.00 H new ATOM 0 HE21 GLN A 249 -9.005 3.998 4.320 1.00 15.00 H new ATOM 0 HE22 GLN A 249 -9.062 4.850 5.866 1.00 15.00 H new ATOM 233 N VAL A 250 -4.004 6.322 1.723 1.00 15.00 N ATOM 234 CA VAL A 250 -2.847 5.826 0.998 1.00 15.00 C ATOM 235 C VAL A 250 -2.575 4.360 1.351 1.00 15.00 C ATOM 236 O VAL A 250 -2.139 4.041 2.460 1.00 15.00 O ATOM 237 CB VAL A 250 -1.586 6.686 1.254 1.00 15.00 C ATOM 238 CG1 VAL A 250 -1.752 8.068 0.638 1.00 15.00 C ATOM 239 CG2 VAL A 250 -1.281 6.812 2.742 1.00 15.00 C ATOM 0 H VAL A 250 -3.866 6.428 2.728 1.00 15.00 H new ATOM 0 HA VAL A 250 -3.080 5.897 -0.065 1.00 15.00 H new ATOM 0 HB VAL A 250 -0.744 6.180 0.781 1.00 15.00 H new ATOM 0 HG11 VAL A 250 -0.857 8.660 0.827 1.00 15.00 H new ATOM 0 HG12 VAL A 250 -1.903 7.971 -0.437 1.00 15.00 H new ATOM 0 HG13 VAL A 250 -2.615 8.563 1.083 1.00 15.00 H new ATOM 0 HG21 VAL A 250 -0.389 7.423 2.880 1.00 15.00 H new ATOM 0 HG22 VAL A 250 -2.124 7.282 3.248 1.00 15.00 H new ATOM 0 HG23 VAL A 250 -1.111 5.821 3.164 1.00 15.00 H new ATOM 249 N TYR A 251 -2.861 3.458 0.418 1.00 15.00 N ATOM 250 CA TYR A 251 -2.618 2.042 0.658 1.00 15.00 C ATOM 251 C TYR A 251 -1.300 1.595 0.024 1.00 15.00 C ATOM 252 O TYR A 251 -1.069 1.782 -1.172 1.00 15.00 O ATOM 253 CB TYR A 251 -3.812 1.157 0.216 1.00 15.00 C ATOM 254 CG TYR A 251 -4.250 1.208 -1.249 1.00 15.00 C ATOM 255 CD1 TYR A 251 -5.250 2.073 -1.693 1.00 15.00 C ATOM 256 CD2 TYR A 251 -3.712 0.334 -2.186 1.00 15.00 C ATOM 257 CE1 TYR A 251 -5.680 2.056 -3.005 1.00 15.00 C ATOM 258 CE2 TYR A 251 -4.132 0.321 -3.479 1.00 15.00 C ATOM 259 CZ TYR A 251 -5.121 1.176 -3.894 1.00 15.00 C ATOM 260 OH TYR A 251 -5.536 1.164 -5.206 1.00 15.00 O ATOM 0 H TYR A 251 -3.255 3.678 -0.497 1.00 15.00 H new ATOM 0 HA TYR A 251 -2.524 1.906 1.735 1.00 15.00 H new ATOM 0 HB2 TYR A 251 -3.564 0.122 0.453 1.00 15.00 H new ATOM 0 HB3 TYR A 251 -4.671 1.428 0.829 1.00 15.00 H new ATOM 0 HD1 TYR A 251 -5.696 2.769 -0.998 1.00 15.00 H new ATOM 0 HD2 TYR A 251 -2.939 -0.354 -1.878 1.00 15.00 H new ATOM 0 HE1 TYR A 251 -6.455 2.735 -3.330 1.00 15.00 H new ATOM 0 HE2 TYR A 251 -3.685 -0.366 -4.183 1.00 15.00 H new ATOM 0 HH TYR A 251 -5.231 1.981 -5.653 1.00 15.00 H new ATOM 270 N PHE A 252 -0.437 0.999 0.847 1.00 15.00 N ATOM 271 CA PHE A 252 0.909 0.617 0.422 1.00 15.00 C ATOM 272 C PHE A 252 0.938 -0.782 -0.141 1.00 15.00 C ATOM 273 O PHE A 252 0.722 -1.755 0.584 1.00 15.00 O ATOM 274 CB PHE A 252 1.894 0.691 1.584 1.00 15.00 C ATOM 275 CG PHE A 252 2.412 2.080 1.822 1.00 15.00 C ATOM 276 CD1 PHE A 252 2.246 2.704 3.050 1.00 15.00 C ATOM 277 CD2 PHE A 252 3.047 2.776 0.806 1.00 15.00 C ATOM 278 CE1 PHE A 252 2.703 3.988 3.257 1.00 15.00 C ATOM 279 CE2 PHE A 252 3.511 4.061 1.012 1.00 15.00 C ATOM 280 CZ PHE A 252 3.337 4.669 2.238 1.00 15.00 C ATOM 0 H PHE A 252 -0.649 0.769 1.818 1.00 15.00 H new ATOM 0 HA PHE A 252 1.201 1.324 -0.355 1.00 15.00 H new ATOM 0 HB2 PHE A 252 1.407 0.330 2.490 1.00 15.00 H new ATOM 0 HB3 PHE A 252 2.733 0.024 1.386 1.00 15.00 H new ATOM 0 HD1 PHE A 252 1.753 2.177 3.854 1.00 15.00 H new ATOM 0 HD2 PHE A 252 3.181 2.309 -0.158 1.00 15.00 H new ATOM 0 HE1 PHE A 252 2.565 4.461 4.218 1.00 15.00 H new ATOM 0 HE2 PHE A 252 4.010 4.589 0.213 1.00 15.00 H new ATOM 0 HZ PHE A 252 3.696 5.675 2.400 1.00 15.00 H new ATOM 290 N LEU A 253 1.206 -0.882 -1.435 1.00 15.00 N ATOM 291 CA LEU A 253 1.268 -2.174 -2.089 1.00 15.00 C ATOM 292 C LEU A 253 2.661 -2.567 -2.510 1.00 15.00 C ATOM 293 O LEU A 253 3.420 -1.800 -3.103 1.00 15.00 O ATOM 294 CB LEU A 253 0.281 -2.284 -3.254 1.00 15.00 C ATOM 295 CG LEU A 253 -1.089 -2.838 -2.856 1.00 15.00 C ATOM 296 CD1 LEU A 253 -1.089 -4.345 -3.060 1.00 15.00 C ATOM 297 CD2 LEU A 253 -1.380 -2.488 -1.410 1.00 15.00 C ATOM 0 H LEU A 253 1.383 -0.086 -2.048 1.00 15.00 H new ATOM 0 HA LEU A 253 0.963 -2.894 -1.330 1.00 15.00 H new ATOM 0 HB2 LEU A 253 0.148 -1.298 -3.699 1.00 15.00 H new ATOM 0 HB3 LEU A 253 0.712 -2.925 -4.023 1.00 15.00 H new ATOM 0 HG LEU A 253 -1.869 -2.397 -3.477 1.00 15.00 H new ATOM 0 HD11 LEU A 253 -2.061 -4.750 -2.779 1.00 15.00 H new ATOM 0 HD12 LEU A 253 -0.891 -4.570 -4.108 1.00 15.00 H new ATOM 0 HD13 LEU A 253 -0.315 -4.796 -2.439 1.00 15.00 H new ATOM 0 HD21 LEU A 253 -2.356 -2.884 -1.129 1.00 15.00 H new ATOM 0 HD22 LEU A 253 -0.614 -2.924 -0.769 1.00 15.00 H new ATOM 0 HD23 LEU A 253 -1.380 -1.405 -1.291 1.00 15.00 H new ATOM 309 N HIS A 254 2.949 -3.807 -2.198 1.00 15.00 N ATOM 310 CA HIS A 254 4.213 -4.440 -2.502 1.00 15.00 C ATOM 311 C HIS A 254 3.938 -5.861 -2.898 1.00 15.00 C ATOM 312 O HIS A 254 3.712 -6.708 -2.023 1.00 15.00 O ATOM 313 CB HIS A 254 5.127 -4.435 -1.272 1.00 15.00 C ATOM 314 CG HIS A 254 6.342 -5.315 -1.381 1.00 15.00 C ATOM 315 ND1 HIS A 254 6.659 -6.265 -0.435 1.00 15.00 N ATOM 316 CD2 HIS A 254 7.300 -5.407 -2.332 1.00 15.00 C ATOM 317 CE1 HIS A 254 7.748 -6.906 -0.801 1.00 15.00 C ATOM 318 NE2 HIS A 254 8.164 -6.403 -1.949 1.00 15.00 N ATOM 0 H HIS A 254 2.295 -4.421 -1.713 1.00 15.00 H new ATOM 0 HA HIS A 254 4.708 -3.896 -3.307 1.00 15.00 H new ATOM 0 HB2 HIS A 254 5.453 -3.412 -1.084 1.00 15.00 H new ATOM 0 HB3 HIS A 254 4.546 -4.749 -0.405 1.00 15.00 H new ATOM 0 HD2 HIS A 254 7.372 -4.807 -3.227 1.00 15.00 H new ATOM 0 HE1 HIS A 254 8.222 -7.708 -0.255 1.00 15.00 H new ATOM 0 HE2 HIS A 254 8.990 -6.704 -2.466 1.00 15.00 H new ATOM 327 N THR A 255 3.906 -6.167 -4.174 1.00 15.00 N ATOM 328 CA THR A 255 3.663 -7.543 -4.485 1.00 15.00 C ATOM 329 C THR A 255 4.978 -8.294 -4.634 1.00 15.00 C ATOM 330 O THR A 255 5.593 -8.375 -5.693 1.00 15.00 O ATOM 331 CB THR A 255 2.760 -7.721 -5.731 1.00 15.00 C ATOM 332 OG1 THR A 255 2.581 -9.115 -6.011 1.00 15.00 O ATOM 333 CG2 THR A 255 3.332 -7.013 -6.954 1.00 15.00 C ATOM 0 H THR A 255 4.036 -5.529 -4.959 1.00 15.00 H new ATOM 0 HA THR A 255 3.112 -7.974 -3.649 1.00 15.00 H new ATOM 0 HB THR A 255 1.795 -7.266 -5.507 1.00 15.00 H new ATOM 0 HG1 THR A 255 2.008 -9.219 -6.799 1.00 15.00 H new ATOM 0 HG21 THR A 255 2.668 -7.163 -7.805 1.00 15.00 H new ATOM 0 HG22 THR A 255 3.422 -5.946 -6.748 1.00 15.00 H new ATOM 0 HG23 THR A 255 4.316 -7.422 -7.185 1.00 15.00 H new ATOM 341 N GLN A 256 5.422 -8.771 -3.490 1.00 15.00 N ATOM 342 CA GLN A 256 6.246 -9.952 -3.361 1.00 15.00 C ATOM 343 C GLN A 256 5.356 -11.106 -2.932 1.00 15.00 C ATOM 344 O GLN A 256 5.425 -12.218 -3.445 1.00 15.00 O ATOM 345 CB GLN A 256 7.341 -9.714 -2.320 1.00 15.00 C ATOM 346 CG GLN A 256 8.028 -10.978 -1.835 1.00 15.00 C ATOM 347 CD GLN A 256 9.056 -10.706 -0.759 1.00 15.00 C ATOM 348 OE1 GLN A 256 9.635 -9.623 -0.694 1.00 15.00 O ATOM 349 NE2 GLN A 256 9.293 -11.692 0.087 1.00 15.00 N ATOM 0 H GLN A 256 5.211 -8.331 -2.594 1.00 15.00 H new ATOM 0 HA GLN A 256 6.725 -10.184 -4.312 1.00 15.00 H new ATOM 0 HB2 GLN A 256 8.091 -9.047 -2.745 1.00 15.00 H new ATOM 0 HB3 GLN A 256 6.906 -9.200 -1.463 1.00 15.00 H new ATOM 0 HG2 GLN A 256 7.279 -11.669 -1.450 1.00 15.00 H new ATOM 0 HG3 GLN A 256 8.512 -11.470 -2.678 1.00 15.00 H new ATOM 0 HE21 GLN A 256 8.789 -12.574 -0.004 1.00 15.00 H new ATOM 0 HE22 GLN A 256 9.980 -11.571 0.831 1.00 15.00 H new ATOM 358 N THR A 257 4.513 -10.786 -1.958 1.00 15.00 N ATOM 359 CA THR A 257 3.731 -11.749 -1.229 1.00 15.00 C ATOM 360 C THR A 257 2.368 -11.183 -1.013 1.00 15.00 C ATOM 361 O THR A 257 1.602 -11.550 -0.123 1.00 15.00 O ATOM 362 CB THR A 257 4.445 -12.002 0.079 1.00 15.00 C ATOM 363 OG1 THR A 257 3.903 -13.124 0.788 1.00 15.00 O ATOM 364 CG2 THR A 257 4.464 -10.757 0.957 1.00 15.00 C ATOM 0 H THR A 257 4.358 -9.825 -1.654 1.00 15.00 H new ATOM 0 HA THR A 257 3.622 -12.691 -1.767 1.00 15.00 H new ATOM 0 HB THR A 257 5.476 -12.250 -0.174 1.00 15.00 H new ATOM 0 HG1 THR A 257 2.928 -13.039 0.839 1.00 15.00 H new ATOM 0 HG21 THR A 257 4.985 -10.977 1.889 1.00 15.00 H new ATOM 0 HG22 THR A 257 4.979 -9.951 0.434 1.00 15.00 H new ATOM 0 HG23 THR A 257 3.441 -10.451 1.177 1.00 15.00 H new ATOM 372 N GLY A 258 2.113 -10.308 -1.912 1.00 15.00 N ATOM 373 CA GLY A 258 0.911 -9.517 -1.911 1.00 15.00 C ATOM 374 C GLY A 258 0.735 -8.719 -0.631 1.00 15.00 C ATOM 375 O GLY A 258 -0.091 -9.069 0.211 1.00 15.00 O ATOM 0 H GLY A 258 2.739 -10.107 -2.692 1.00 15.00 H new ATOM 0 HA2 GLY A 258 0.930 -8.834 -2.760 1.00 15.00 H new ATOM 0 HA3 GLY A 258 0.050 -10.172 -2.047 1.00 15.00 H new ATOM 379 N VAL A 259 1.512 -7.654 -0.470 1.00 15.00 N ATOM 380 CA VAL A 259 1.235 -6.708 0.617 1.00 15.00 C ATOM 381 C VAL A 259 0.283 -5.619 0.186 1.00 15.00 C ATOM 382 O VAL A 259 0.587 -4.813 -0.684 1.00 15.00 O ATOM 383 CB VAL A 259 2.496 -6.022 1.204 1.00 15.00 C ATOM 384 CG1 VAL A 259 2.102 -4.907 2.168 1.00 15.00 C ATOM 385 CG2 VAL A 259 3.302 -7.057 1.938 1.00 15.00 C ATOM 0 H VAL A 259 2.315 -7.423 -1.055 1.00 15.00 H new ATOM 0 HA VAL A 259 0.790 -7.330 1.394 1.00 15.00 H new ATOM 0 HB VAL A 259 3.080 -5.585 0.394 1.00 15.00 H new ATOM 0 HG11 VAL A 259 3.001 -4.438 2.569 1.00 15.00 H new ATOM 0 HG12 VAL A 259 1.509 -4.161 1.639 1.00 15.00 H new ATOM 0 HG13 VAL A 259 1.514 -5.324 2.986 1.00 15.00 H new ATOM 0 HG21 VAL A 259 4.194 -6.593 2.358 1.00 15.00 H new ATOM 0 HG22 VAL A 259 2.702 -7.483 2.742 1.00 15.00 H new ATOM 0 HG23 VAL A 259 3.596 -7.847 1.247 1.00 15.00 H new ATOM 395 N SER A 260 -0.870 -5.639 0.828 1.00 15.00 N ATOM 396 CA SER A 260 -1.843 -4.553 0.753 1.00 15.00 C ATOM 397 C SER A 260 -2.175 -4.123 2.167 1.00 15.00 C ATOM 398 O SER A 260 -2.767 -4.883 2.934 1.00 15.00 O ATOM 399 CB SER A 260 -3.126 -4.937 -0.019 1.00 15.00 C ATOM 400 OG SER A 260 -3.624 -6.202 0.387 1.00 15.00 O ATOM 0 H SER A 260 -1.165 -6.414 1.423 1.00 15.00 H new ATOM 0 HA SER A 260 -1.399 -3.732 0.190 1.00 15.00 H new ATOM 0 HB2 SER A 260 -3.890 -4.176 0.143 1.00 15.00 H new ATOM 0 HB3 SER A 260 -2.916 -4.955 -1.088 1.00 15.00 H new ATOM 0 HG SER A 260 -3.577 -6.274 1.363 1.00 15.00 H new ATOM 406 N THR A 261 -1.770 -2.924 2.534 1.00 15.00 N ATOM 407 CA THR A 261 -1.804 -2.559 3.945 1.00 15.00 C ATOM 408 C THR A 261 -2.028 -1.066 4.187 1.00 15.00 C ATOM 409 O THR A 261 -1.666 -0.217 3.365 1.00 15.00 O ATOM 410 CB THR A 261 -0.520 -3.020 4.668 1.00 15.00 C ATOM 411 OG1 THR A 261 -0.685 -2.882 6.083 1.00 15.00 O ATOM 412 CG2 THR A 261 0.694 -2.222 4.210 1.00 15.00 C ATOM 0 H THR A 261 -1.423 -2.203 1.902 1.00 15.00 H new ATOM 0 HA THR A 261 -2.667 -3.080 4.361 1.00 15.00 H new ATOM 0 HB THR A 261 -0.349 -4.067 4.418 1.00 15.00 H new ATOM 0 HG1 THR A 261 -0.586 -3.758 6.511 1.00 15.00 H new ATOM 0 HG21 THR A 261 1.580 -2.572 4.739 1.00 15.00 H new ATOM 0 HG22 THR A 261 0.834 -2.357 3.138 1.00 15.00 H new ATOM 0 HG23 THR A 261 0.537 -1.165 4.425 1.00 15.00 H new ATOM 420 N TRP A 262 -2.661 -0.778 5.327 1.00 15.00 N ATOM 421 CA TRP A 262 -2.937 0.587 5.758 1.00 15.00 C ATOM 422 C TRP A 262 -1.689 1.299 6.289 1.00 15.00 C ATOM 423 O TRP A 262 -1.659 2.529 6.353 1.00 15.00 O ATOM 424 CB TRP A 262 -4.006 0.596 6.862 1.00 15.00 C ATOM 425 CG TRP A 262 -5.421 0.520 6.366 1.00 15.00 C ATOM 426 CD1 TRP A 262 -6.433 -0.271 6.849 1.00 15.00 C ATOM 427 CD2 TRP A 262 -5.987 1.266 5.290 1.00 15.00 C ATOM 428 NE1 TRP A 262 -7.586 -0.034 6.163 1.00 15.00 N ATOM 429 CE2 TRP A 262 -7.339 0.894 5.197 1.00 15.00 C ATOM 430 CE3 TRP A 262 -5.491 2.216 4.394 1.00 15.00 C ATOM 431 CZ2 TRP A 262 -8.189 1.436 4.260 1.00 15.00 C ATOM 432 CZ3 TRP A 262 -6.349 2.743 3.453 1.00 15.00 C ATOM 433 CH2 TRP A 262 -7.690 2.346 3.402 1.00 15.00 C ATOM 0 H TRP A 262 -2.996 -1.490 5.976 1.00 15.00 H new ATOM 0 HA TRP A 262 -3.291 1.121 4.876 1.00 15.00 H new ATOM 0 HB2 TRP A 262 -3.824 -0.245 7.531 1.00 15.00 H new ATOM 0 HB3 TRP A 262 -3.891 1.505 7.453 1.00 15.00 H new ATOM 0 HD1 TRP A 262 -6.330 -0.980 7.657 1.00 15.00 H new ATOM 0 HE1 TRP A 262 -8.486 -0.478 6.343 1.00 15.00 H new ATOM 0 HE3 TRP A 262 -4.459 2.530 4.438 1.00 15.00 H new ATOM 0 HZ2 TRP A 262 -9.227 1.140 4.214 1.00 15.00 H new ATOM 0 HZ3 TRP A 262 -5.982 3.472 2.746 1.00 15.00 H new ATOM 0 HH2 TRP A 262 -8.340 2.780 2.657 1.00 15.00 H new ATOM 444 N HIS A 263 -0.676 0.543 6.705 1.00 15.00 N ATOM 445 CA HIS A 263 0.484 1.150 7.365 1.00 15.00 C ATOM 446 C HIS A 263 1.664 1.282 6.413 1.00 15.00 C ATOM 447 O HIS A 263 1.897 0.419 5.568 1.00 15.00 O ATOM 448 CB HIS A 263 0.905 0.344 8.614 1.00 15.00 C ATOM 449 CG HIS A 263 1.770 -0.857 8.342 1.00 15.00 C ATOM 450 ND1 HIS A 263 3.138 -0.878 8.561 1.00 15.00 N ATOM 451 CD2 HIS A 263 1.455 -2.084 7.870 1.00 15.00 C ATOM 452 CE1 HIS A 263 3.615 -2.064 8.226 1.00 15.00 C ATOM 453 NE2 HIS A 263 2.615 -2.809 7.807 1.00 15.00 N ATOM 0 H HIS A 263 -0.630 -0.471 6.602 1.00 15.00 H new ATOM 0 HA HIS A 263 0.182 2.149 7.679 1.00 15.00 H new ATOM 0 HB2 HIS A 263 1.438 1.009 9.293 1.00 15.00 H new ATOM 0 HB3 HIS A 263 0.005 0.013 9.133 1.00 15.00 H new ATOM 0 HD1 HIS A 263 3.690 -0.101 8.924 1.00 15.00 H new ATOM 0 HD2 HIS A 263 0.470 -2.429 7.593 1.00 15.00 H new ATOM 0 HE1 HIS A 263 4.649 -2.369 8.286 1.00 15.00 H new ATOM 462 N ASP A 264 2.406 2.366 6.574 1.00 15.00 N ATOM 463 CA ASP A 264 3.675 2.542 5.884 1.00 15.00 C ATOM 464 C ASP A 264 4.612 1.413 6.301 1.00 15.00 C ATOM 465 O ASP A 264 4.839 1.207 7.480 1.00 15.00 O ATOM 466 CB ASP A 264 4.265 3.910 6.248 1.00 15.00 C ATOM 467 CG ASP A 264 5.545 4.242 5.514 1.00 15.00 C ATOM 468 OD1 ASP A 264 5.530 5.178 4.684 1.00 15.00 O ATOM 469 OD2 ASP A 264 6.572 3.589 5.775 1.00 15.00 O1- ATOM 0 H ASP A 264 2.149 3.144 7.182 1.00 15.00 H new ATOM 0 HA ASP A 264 3.536 2.508 4.803 1.00 15.00 H new ATOM 0 HB2 ASP A 264 3.525 4.682 6.035 1.00 15.00 H new ATOM 0 HB3 ASP A 264 4.455 3.938 7.321 1.00 15.00 H new ATOM 474 N PRO A 265 5.141 0.629 5.359 1.00 15.00 N ATOM 475 CA PRO A 265 5.946 -0.544 5.694 1.00 15.00 C ATOM 476 C PRO A 265 7.305 -0.209 6.256 1.00 15.00 C ATOM 477 O PRO A 265 7.987 -1.069 6.811 1.00 15.00 O ATOM 478 CB PRO A 265 6.095 -1.293 4.373 1.00 15.00 C ATOM 479 CG PRO A 265 5.164 -0.620 3.420 1.00 15.00 C ATOM 480 CD PRO A 265 4.983 0.780 3.912 1.00 15.00 C ATOM 0 HA PRO A 265 5.460 -1.124 6.478 1.00 15.00 H new ATOM 0 HB2 PRO A 265 7.123 -1.250 4.012 1.00 15.00 H new ATOM 0 HB3 PRO A 265 5.842 -2.347 4.490 1.00 15.00 H new ATOM 0 HG2 PRO A 265 5.574 -0.625 2.410 1.00 15.00 H new ATOM 0 HG3 PRO A 265 4.208 -1.142 3.379 1.00 15.00 H new ATOM 0 HD2 PRO A 265 5.726 1.457 3.491 1.00 15.00 H new ATOM 0 HD3 PRO A 265 4.003 1.179 3.650 1.00 15.00 H new ATOM 488 N ARG A 266 7.705 1.028 6.097 1.00 15.00 N ATOM 489 CA ARG A 266 8.939 1.489 6.676 1.00 15.00 C ATOM 490 C ARG A 266 8.689 1.787 8.141 1.00 15.00 C ATOM 491 O ARG A 266 9.607 2.045 8.920 1.00 15.00 O ATOM 492 CB ARG A 266 9.400 2.722 5.934 1.00 15.00 C ATOM 493 CG ARG A 266 10.846 3.104 6.196 1.00 15.00 C ATOM 494 CD ARG A 266 11.829 2.076 5.661 1.00 15.00 C ATOM 495 NE ARG A 266 13.195 2.361 6.100 1.00 15.00 N ATOM 496 CZ ARG A 266 14.288 1.803 5.575 1.00 15.00 C ATOM 497 NH1 ARG A 266 14.191 0.960 4.558 1.00 15.00 N1+ ATOM 498 NH2 ARG A 266 15.480 2.105 6.068 1.00 15.00 N ATOM 0 H ARG A 266 7.192 1.734 5.570 1.00 15.00 H new ATOM 0 HA ARG A 266 9.721 0.734 6.596 1.00 15.00 H new ATOM 0 HB2 ARG A 266 9.267 2.559 4.864 1.00 15.00 H new ATOM 0 HB3 ARG A 266 8.759 3.559 6.211 1.00 15.00 H new ATOM 0 HG2 ARG A 266 11.051 4.071 5.736 1.00 15.00 H new ATOM 0 HG3 ARG A 266 10.998 3.222 7.269 1.00 15.00 H new ATOM 0 HD2 ARG A 266 11.537 1.082 5.999 1.00 15.00 H new ATOM 0 HD3 ARG A 266 11.790 2.067 4.572 1.00 15.00 H new ATOM 0 HE ARG A 266 13.321 3.031 6.858 1.00 15.00 H new ATOM 0 HH11 ARG A 266 13.276 0.733 4.170 1.00 15.00 H new ATOM 0 HH12 ARG A 266 15.032 0.538 4.163 1.00 15.00 H new ATOM 0 HH21 ARG A 266 15.559 2.761 6.845 1.00 15.00 H new ATOM 0 HH22 ARG A 266 16.318 1.681 5.671 1.00 15.00 H new ATOM 574 N ASP B 211 -3.647 -4.611 -7.668 1.00 15.00 N ATOM 575 CA ASP B 211 -4.550 -5.730 -7.853 1.00 15.00 C ATOM 576 C ASP B 211 -5.617 -5.828 -6.734 1.00 15.00 C ATOM 577 O ASP B 211 -6.677 -6.408 -6.968 1.00 15.00 O ATOM 578 CB ASP B 211 -3.767 -7.039 -7.944 1.00 15.00 C ATOM 579 CG ASP B 211 -4.557 -8.136 -8.626 1.00 15.00 C ATOM 580 OD1 ASP B 211 -5.285 -8.876 -7.937 1.00 15.00 O ATOM 581 OD2 ASP B 211 -4.452 -8.254 -9.866 1.00 15.00 O1- ATOM 0 HA ASP B 211 -5.079 -5.555 -8.790 1.00 15.00 H new ATOM 0 HB2 ASP B 211 -2.840 -6.868 -8.492 1.00 15.00 H new ATOM 0 HB3 ASP B 211 -3.489 -7.364 -6.941 1.00 15.00 H new ATOM 586 N PRO B 212 -5.381 -5.294 -5.497 1.00 15.00 N ATOM 587 CA PRO B 212 -6.338 -5.414 -4.409 1.00 15.00 C ATOM 588 C PRO B 212 -7.292 -4.217 -4.341 1.00 15.00 C ATOM 589 O PRO B 212 -6.992 -3.134 -4.850 1.00 15.00 O ATOM 590 CB PRO B 212 -5.416 -5.435 -3.192 1.00 15.00 C ATOM 591 CG PRO B 212 -4.350 -4.521 -3.523 1.00 15.00 C ATOM 592 CD PRO B 212 -4.201 -4.540 -5.026 1.00 15.00 C ATOM 0 HA PRO B 212 -6.991 -6.282 -4.504 1.00 15.00 H new ATOM 0 HB2 PRO B 212 -5.942 -5.120 -2.291 1.00 15.00 H new ATOM 0 HB3 PRO B 212 -5.033 -6.438 -3.003 1.00 15.00 H new ATOM 0 HG2 PRO B 212 -4.581 -3.516 -3.171 1.00 15.00 H new ATOM 0 HG3 PRO B 212 -3.420 -4.822 -3.040 1.00 15.00 H new ATOM 0 HD2 PRO B 212 -4.183 -3.531 -5.437 1.00 15.00 H new ATOM 0 HD3 PRO B 212 -3.272 -5.024 -5.328 1.00 15.00 H new ATOM 600 N GLY B 213 -8.416 -4.413 -3.677 1.00 15.00 N ATOM 601 CA GLY B 213 -9.391 -3.355 -3.518 1.00 15.00 C ATOM 602 C GLY B 213 -9.123 -2.542 -2.269 1.00 15.00 C ATOM 603 O GLY B 213 -8.452 -3.018 -1.351 1.00 15.00 O ATOM 0 H GLY B 213 -8.675 -5.297 -3.239 1.00 15.00 H new ATOM 0 HA2 GLY B 213 -9.368 -2.703 -4.391 1.00 15.00 H new ATOM 0 HA3 GLY B 213 -10.392 -3.784 -3.467 1.00 15.00 H new ATOM 621 N PRO B 215 -9.814 -0.661 1.248 1.00 15.00 N ATOM 622 CA PRO B 215 -10.550 -1.075 2.450 1.00 15.00 C ATOM 623 C PRO B 215 -11.307 0.050 3.155 1.00 15.00 C ATOM 624 O PRO B 215 -10.816 1.155 3.340 1.00 15.00 O ATOM 625 CB PRO B 215 -9.401 -1.547 3.386 1.00 15.00 C ATOM 626 CG PRO B 215 -8.179 -1.564 2.533 1.00 15.00 C ATOM 627 CD PRO B 215 -8.403 -0.464 1.552 1.00 15.00 C ATOM 0 HA PRO B 215 -11.315 -1.809 2.198 1.00 15.00 H new ATOM 0 HB2 PRO B 215 -9.280 -0.871 4.232 1.00 15.00 H new ATOM 0 HB3 PRO B 215 -9.608 -2.536 3.795 1.00 15.00 H new ATOM 0 HG2 PRO B 215 -7.279 -1.394 3.123 1.00 15.00 H new ATOM 0 HG3 PRO B 215 -8.056 -2.525 2.033 1.00 15.00 H new ATOM 0 HD2 PRO B 215 -8.205 0.519 1.979 1.00 15.00 H new ATOM 0 HD3 PRO B 215 -7.771 -0.561 0.669 1.00 15.00 H new ATOM 635 N PHE B 216 -12.535 -0.270 3.546 1.00 15.00 N ATOM 636 CA PHE B 216 -13.325 0.597 4.407 1.00 15.00 C ATOM 637 C PHE B 216 -13.184 0.119 5.845 1.00 15.00 C ATOM 638 O PHE B 216 -13.893 0.571 6.744 1.00 15.00 O ATOM 639 CB PHE B 216 -14.800 0.571 3.985 1.00 15.00 C ATOM 640 CG PHE B 216 -15.057 1.145 2.621 1.00 15.00 C ATOM 641 CD1 PHE B 216 -15.036 0.335 1.495 1.00 15.00 C ATOM 642 CD2 PHE B 216 -15.328 2.495 2.466 1.00 15.00 C ATOM 643 CE1 PHE B 216 -15.277 0.863 0.241 1.00 15.00 C ATOM 644 CE2 PHE B 216 -15.570 3.028 1.215 1.00 15.00 C ATOM 645 CZ PHE B 216 -15.545 2.210 0.102 1.00 15.00 C ATOM 0 H PHE B 216 -13.007 -1.133 3.276 1.00 15.00 H new ATOM 0 HA PHE B 216 -12.965 1.622 4.321 1.00 15.00 H new ATOM 0 HB2 PHE B 216 -15.155 -0.459 4.007 1.00 15.00 H new ATOM 0 HB3 PHE B 216 -15.386 1.126 4.717 1.00 15.00 H new ATOM 0 HD1 PHE B 216 -14.829 -0.720 1.600 1.00 15.00 H new ATOM 0 HD2 PHE B 216 -15.350 3.138 3.333 1.00 15.00 H new ATOM 0 HE1 PHE B 216 -15.256 0.223 -0.629 1.00 15.00 H new ATOM 0 HE2 PHE B 216 -15.778 4.082 1.107 1.00 15.00 H new ATOM 0 HZ PHE B 216 -15.735 2.624 -0.877 1.00 15.00 H new