USER MOD reduce.3.24.130724 H: found=0, std=0, add=437, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 436 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 122 GLN :FLIP amide:sc= 0 F(o=-3.2,f=-2.6) USER MOD Set 1.2: A 123 HIS : no HD1:sc= -2.64 K(o=-2.6,f=-3.9!) USER MOD Single : A 113 THR OG1 : rot 180:sc= 0 USER MOD Single : A 117 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 120 MET CE :methyl -133:sc= -2.03 (180deg=-6.88!) USER MOD Single : A 125 GLN : amide:sc= -0.0428 X(o=-0.043,f=-0.49) USER MOD Single : A 133 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 135 HIS :FLIP no HD1:sc= -0.723 F(o=-1.8,f=-0.72) USER MOD Single : A 144 THR OG1 : rot 180:sc= 0 USER MOD Single : A 151 THR OG1 : rot 180:sc= -0.0959 USER MOD Single : A 153 SER OG : rot 180:sc= 0 USER MOD Single : A 154 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 159 THR OG1 : rot 180:sc= -0.0742 USER MOD ----------------------------------------------------------------- ATOM 66 N ARG A 109 1.253 10.155 -2.257 1.00 0.00 N ATOM 67 CA ARG A 109 -0.023 9.573 -2.652 1.00 0.00 C ATOM 68 C ARG A 109 -0.552 8.634 -1.571 1.00 0.00 C ATOM 69 O ARG A 109 0.218 7.938 -0.909 1.00 0.00 O ATOM 70 CB ARG A 109 0.124 8.815 -3.973 1.00 0.00 C ATOM 71 CG ARG A 109 -0.062 9.690 -5.201 1.00 0.00 C ATOM 72 CD ARG A 109 -1.523 9.762 -5.618 1.00 0.00 C ATOM 73 NE ARG A 109 -1.679 10.275 -6.977 1.00 0.00 N ATOM 74 CZ ARG A 109 -2.849 10.632 -7.497 1.00 0.00 C ATOM 75 NH1 ARG A 109 -3.957 10.532 -6.776 1.00 0.00 N ATOM 76 NH2 ARG A 109 -2.911 11.090 -8.741 1.00 0.00 N ATOM 0 HA ARG A 109 -0.737 10.385 -2.784 1.00 0.00 H new ATOM 0 HB2 ARG A 109 1.112 8.356 -4.011 1.00 0.00 H new ATOM 0 HB3 ARG A 109 -0.605 8.005 -4.001 1.00 0.00 H new ATOM 0 HG2 ARG A 109 0.308 10.694 -4.993 1.00 0.00 H new ATOM 0 HG3 ARG A 109 0.533 9.295 -6.024 1.00 0.00 H new ATOM 0 HD2 ARG A 109 -1.968 8.769 -5.552 1.00 0.00 H new ATOM 0 HD3 ARG A 109 -2.067 10.402 -4.924 1.00 0.00 H new ATOM 0 HE ARG A 109 -0.845 10.364 -7.558 1.00 0.00 H new ATOM 0 HH11 ARG A 109 -3.913 10.180 -5.820 1.00 0.00 H new ATOM 0 HH12 ARG A 109 -4.853 10.807 -7.178 1.00 0.00 H new ATOM 0 HH21 ARG A 109 -2.061 11.168 -9.299 1.00 0.00 H new ATOM 0 HH22 ARG A 109 -3.809 11.364 -9.139 1.00 0.00 H new ATOM 90 N ARG A 110 -1.869 8.621 -1.397 1.00 0.00 N ATOM 91 CA ARG A 110 -2.500 7.770 -0.396 1.00 0.00 C ATOM 92 C ARG A 110 -2.213 6.298 -0.676 1.00 0.00 C ATOM 93 O ARG A 110 -2.173 5.871 -1.831 1.00 0.00 O ATOM 94 CB ARG A 110 -4.011 8.010 -0.369 1.00 0.00 C ATOM 95 CG ARG A 110 -4.402 9.453 -0.647 1.00 0.00 C ATOM 96 CD ARG A 110 -5.762 9.784 -0.052 1.00 0.00 C ATOM 97 NE ARG A 110 -6.849 9.513 -0.990 1.00 0.00 N ATOM 98 CZ ARG A 110 -8.111 9.330 -0.617 1.00 0.00 C ATOM 99 NH1 ARG A 110 -8.443 9.390 0.665 1.00 0.00 N ATOM 100 NH2 ARG A 110 -9.045 9.088 -1.528 1.00 0.00 N ATOM 0 H ARG A 110 -2.520 9.191 -1.937 1.00 0.00 H new ATOM 0 HA ARG A 110 -2.082 8.026 0.577 1.00 0.00 H new ATOM 0 HB2 ARG A 110 -4.486 7.365 -1.108 1.00 0.00 H new ATOM 0 HB3 ARG A 110 -4.400 7.718 0.607 1.00 0.00 H new ATOM 0 HG2 ARG A 110 -3.649 10.122 -0.231 1.00 0.00 H new ATOM 0 HG3 ARG A 110 -4.422 9.625 -1.723 1.00 0.00 H new ATOM 0 HD2 ARG A 110 -5.912 9.200 0.856 1.00 0.00 H new ATOM 0 HD3 ARG A 110 -5.786 10.835 0.237 1.00 0.00 H new ATOM 0 HE ARG A 110 -6.627 9.462 -1.984 1.00 0.00 H new ATOM 0 HH11 ARG A 110 -7.729 9.577 1.369 1.00 0.00 H new ATOM 0 HH12 ARG A 110 -9.413 9.249 0.948 1.00 0.00 H new ATOM 0 HH21 ARG A 110 -8.794 9.042 -2.516 1.00 0.00 H new ATOM 0 HH22 ARG A 110 -10.014 8.948 -1.241 1.00 0.00 H new ATOM 114 N LEU A 111 -2.014 5.527 0.387 1.00 0.00 N ATOM 115 CA LEU A 111 -1.731 4.101 0.256 1.00 0.00 C ATOM 116 C LEU A 111 -2.811 3.405 -0.564 1.00 0.00 C ATOM 117 O LEU A 111 -2.530 2.560 -1.415 1.00 0.00 O ATOM 118 CB LEU A 111 -1.627 3.454 1.639 1.00 0.00 C ATOM 119 CG LEU A 111 -0.866 2.129 1.702 1.00 0.00 C ATOM 120 CD1 LEU A 111 0.544 2.296 1.160 1.00 0.00 C ATOM 121 CD2 LEU A 111 -0.832 1.602 3.130 1.00 0.00 C ATOM 0 H LEU A 111 -2.043 5.864 1.349 1.00 0.00 H new ATOM 0 HA LEU A 111 -0.779 3.990 -0.263 1.00 0.00 H new ATOM 0 HB2 LEU A 111 -1.144 4.161 2.314 1.00 0.00 H new ATOM 0 HB3 LEU A 111 -2.636 3.290 2.019 1.00 0.00 H new ATOM 0 HG LEU A 111 -1.388 1.402 1.079 1.00 0.00 H new ATOM 0 HD11 LEU A 111 1.070 1.343 1.213 1.00 0.00 H new ATOM 0 HD12 LEU A 111 0.498 2.628 0.123 1.00 0.00 H new ATOM 0 HD13 LEU A 111 1.077 3.038 1.755 1.00 0.00 H new ATOM 0 HD21 LEU A 111 -0.287 0.659 3.157 1.00 0.00 H new ATOM 0 HD22 LEU A 111 -0.334 2.327 3.774 1.00 0.00 H new ATOM 0 HD23 LEU A 111 -1.851 1.442 3.483 1.00 0.00 H new ATOM 133 N PRO A 112 -4.076 3.766 -0.306 1.00 0.00 N ATOM 134 CA PRO A 112 -5.224 3.191 -1.012 1.00 0.00 C ATOM 135 C PRO A 112 -5.088 3.300 -2.527 1.00 0.00 C ATOM 136 O PRO A 112 -5.394 2.358 -3.259 1.00 0.00 O ATOM 137 CB PRO A 112 -6.404 4.032 -0.519 1.00 0.00 C ATOM 138 CG PRO A 112 -5.973 4.543 0.812 1.00 0.00 C ATOM 139 CD PRO A 112 -4.485 4.767 0.695 1.00 0.00 C ATOM 0 HA PRO A 112 -5.331 2.125 -0.813 1.00 0.00 H new ATOM 0 HB2 PRO A 112 -6.622 4.850 -1.206 1.00 0.00 H new ATOM 0 HB3 PRO A 112 -7.311 3.433 -0.439 1.00 0.00 H new ATOM 0 HG2 PRO A 112 -6.491 5.469 1.063 1.00 0.00 H new ATOM 0 HG3 PRO A 112 -6.201 3.826 1.600 1.00 0.00 H new ATOM 0 HD2 PRO A 112 -4.254 5.781 0.369 1.00 0.00 H new ATOM 0 HD3 PRO A 112 -3.978 4.615 1.648 1.00 0.00 H new ATOM 147 N THR A 113 -4.627 4.457 -2.993 1.00 0.00 N ATOM 148 CA THR A 113 -4.451 4.691 -4.421 1.00 0.00 C ATOM 149 C THR A 113 -3.306 3.852 -4.978 1.00 0.00 C ATOM 150 O THR A 113 -3.426 3.250 -6.045 1.00 0.00 O ATOM 151 CB THR A 113 -4.174 6.177 -4.717 1.00 0.00 C ATOM 152 OG1 THR A 113 -5.170 6.994 -4.092 1.00 0.00 O ATOM 153 CG2 THR A 113 -4.164 6.437 -6.216 1.00 0.00 C ATOM 0 H THR A 113 -4.369 5.247 -2.402 1.00 0.00 H new ATOM 0 HA THR A 113 -5.382 4.399 -4.906 1.00 0.00 H new ATOM 0 HB THR A 113 -3.193 6.429 -4.314 1.00 0.00 H new ATOM 0 HG1 THR A 113 -4.986 7.937 -4.283 1.00 0.00 H new ATOM 0 HG21 THR A 113 -3.967 7.493 -6.401 1.00 0.00 H new ATOM 0 HG22 THR A 113 -3.386 5.835 -6.685 1.00 0.00 H new ATOM 0 HG23 THR A 113 -5.133 6.170 -6.638 1.00 0.00 H new ATOM 161 N VAL A 114 -2.195 3.814 -4.248 1.00 0.00 N ATOM 162 CA VAL A 114 -1.030 3.046 -4.668 1.00 0.00 C ATOM 163 C VAL A 114 -1.355 1.560 -4.760 1.00 0.00 C ATOM 164 O VAL A 114 -0.837 0.852 -5.626 1.00 0.00 O ATOM 165 CB VAL A 114 0.152 3.245 -3.700 1.00 0.00 C ATOM 166 CG1 VAL A 114 1.374 2.480 -4.185 1.00 0.00 C ATOM 167 CG2 VAL A 114 0.467 4.724 -3.540 1.00 0.00 C ATOM 0 H VAL A 114 -2.078 4.307 -3.363 1.00 0.00 H new ATOM 0 HA VAL A 114 -0.747 3.413 -5.654 1.00 0.00 H new ATOM 0 HB VAL A 114 -0.130 2.850 -2.724 1.00 0.00 H new ATOM 0 HG11 VAL A 114 2.199 2.632 -3.489 1.00 0.00 H new ATOM 0 HG12 VAL A 114 1.139 1.417 -4.242 1.00 0.00 H new ATOM 0 HG13 VAL A 114 1.661 2.841 -5.172 1.00 0.00 H new ATOM 0 HG21 VAL A 114 1.304 4.845 -2.853 1.00 0.00 H new ATOM 0 HG22 VAL A 114 0.729 5.147 -4.510 1.00 0.00 H new ATOM 0 HG23 VAL A 114 -0.406 5.241 -3.143 1.00 0.00 H new ATOM 177 N LEU A 115 -2.214 1.091 -3.862 1.00 0.00 N ATOM 178 CA LEU A 115 -2.608 -0.313 -3.841 1.00 0.00 C ATOM 179 C LEU A 115 -3.463 -0.656 -5.056 1.00 0.00 C ATOM 180 O LEU A 115 -3.232 -1.664 -5.726 1.00 0.00 O ATOM 181 CB LEU A 115 -3.378 -0.628 -2.557 1.00 0.00 C ATOM 182 CG LEU A 115 -2.538 -1.091 -1.367 1.00 0.00 C ATOM 183 CD1 LEU A 115 -3.302 -0.897 -0.066 1.00 0.00 C ATOM 184 CD2 LEU A 115 -2.130 -2.547 -1.537 1.00 0.00 C ATOM 0 H LEU A 115 -2.651 1.662 -3.139 1.00 0.00 H new ATOM 0 HA LEU A 115 -1.703 -0.919 -3.873 1.00 0.00 H new ATOM 0 HB2 LEU A 115 -3.931 0.263 -2.261 1.00 0.00 H new ATOM 0 HB3 LEU A 115 -4.114 -1.401 -2.779 1.00 0.00 H new ATOM 0 HG LEU A 115 -1.634 -0.484 -1.327 1.00 0.00 H new ATOM 0 HD11 LEU A 115 -2.688 -1.232 0.770 1.00 0.00 H new ATOM 0 HD12 LEU A 115 -3.543 0.159 0.061 1.00 0.00 H new ATOM 0 HD13 LEU A 115 -4.224 -1.478 -0.095 1.00 0.00 H new ATOM 0 HD21 LEU A 115 -1.533 -2.860 -0.681 1.00 0.00 H new ATOM 0 HD22 LEU A 115 -3.022 -3.169 -1.604 1.00 0.00 H new ATOM 0 HD23 LEU A 115 -1.542 -2.656 -2.449 1.00 0.00 H new ATOM 196 N LEU A 116 -4.450 0.188 -5.338 1.00 0.00 N ATOM 197 CA LEU A 116 -5.337 -0.024 -6.475 1.00 0.00 C ATOM 198 C LEU A 116 -4.560 0.006 -7.787 1.00 0.00 C ATOM 199 O LEU A 116 -4.837 -0.767 -8.705 1.00 0.00 O ATOM 200 CB LEU A 116 -6.436 1.040 -6.495 1.00 0.00 C ATOM 201 CG LEU A 116 -7.418 1.013 -5.324 1.00 0.00 C ATOM 202 CD1 LEU A 116 -8.480 2.089 -5.493 1.00 0.00 C ATOM 203 CD2 LEU A 116 -8.063 -0.360 -5.200 1.00 0.00 C ATOM 0 H LEU A 116 -4.656 1.026 -4.794 1.00 0.00 H new ATOM 0 HA LEU A 116 -5.794 -1.008 -6.368 1.00 0.00 H new ATOM 0 HB2 LEU A 116 -5.963 2.022 -6.524 1.00 0.00 H new ATOM 0 HB3 LEU A 116 -7.002 0.932 -7.420 1.00 0.00 H new ATOM 0 HG LEU A 116 -6.865 1.217 -4.407 1.00 0.00 H new ATOM 0 HD11 LEU A 116 -9.170 2.055 -4.650 1.00 0.00 H new ATOM 0 HD12 LEU A 116 -8.003 3.068 -5.532 1.00 0.00 H new ATOM 0 HD13 LEU A 116 -9.029 1.916 -6.419 1.00 0.00 H new ATOM 0 HD21 LEU A 116 -8.759 -0.361 -4.361 1.00 0.00 H new ATOM 0 HD22 LEU A 116 -8.602 -0.593 -6.119 1.00 0.00 H new ATOM 0 HD23 LEU A 116 -7.291 -1.111 -5.031 1.00 0.00 H new ATOM 215 N LYS A 117 -3.583 0.904 -7.869 1.00 0.00 N ATOM 216 CA LYS A 117 -2.762 1.034 -9.066 1.00 0.00 C ATOM 217 C LYS A 117 -1.818 -0.154 -9.210 1.00 0.00 C ATOM 218 O LYS A 117 -1.619 -0.674 -10.309 1.00 0.00 O ATOM 219 CB LYS A 117 -1.957 2.335 -9.019 1.00 0.00 C ATOM 220 CG LYS A 117 -0.921 2.449 -10.123 1.00 0.00 C ATOM 221 CD LYS A 117 0.422 1.886 -9.687 1.00 0.00 C ATOM 222 CE LYS A 117 1.451 1.969 -10.804 1.00 0.00 C ATOM 223 NZ LYS A 117 2.032 3.334 -10.923 1.00 0.00 N ATOM 0 H LYS A 117 -3.341 1.552 -7.120 1.00 0.00 H new ATOM 0 HA LYS A 117 -3.426 1.055 -9.930 1.00 0.00 H new ATOM 0 HB2 LYS A 117 -2.643 3.179 -9.087 1.00 0.00 H new ATOM 0 HB3 LYS A 117 -1.456 2.408 -8.053 1.00 0.00 H new ATOM 0 HG2 LYS A 117 -1.270 1.916 -11.007 1.00 0.00 H new ATOM 0 HG3 LYS A 117 -0.804 3.495 -10.407 1.00 0.00 H new ATOM 0 HD2 LYS A 117 0.783 2.435 -8.817 1.00 0.00 H new ATOM 0 HD3 LYS A 117 0.300 0.847 -9.380 1.00 0.00 H new ATOM 0 HE2 LYS A 117 2.249 1.250 -10.617 1.00 0.00 H new ATOM 0 HE3 LYS A 117 0.985 1.689 -11.749 1.00 0.00 H new ATOM 0 HZ1 LYS A 117 2.729 3.349 -11.695 1.00 0.00 H new ATOM 0 HZ2 LYS A 117 1.275 4.017 -11.127 1.00 0.00 H new ATOM 0 HZ3 LYS A 117 2.499 3.591 -10.030 1.00 0.00 H new ATOM 237 N LEU A 118 -1.238 -0.583 -8.094 1.00 0.00 N ATOM 238 CA LEU A 118 -0.315 -1.712 -8.095 1.00 0.00 C ATOM 239 C LEU A 118 -1.073 -3.035 -8.149 1.00 0.00 C ATOM 240 O LEU A 118 -0.489 -4.104 -7.970 1.00 0.00 O ATOM 241 CB LEU A 118 0.574 -1.671 -6.851 1.00 0.00 C ATOM 242 CG LEU A 118 1.661 -0.596 -6.837 1.00 0.00 C ATOM 243 CD1 LEU A 118 2.447 -0.647 -5.536 1.00 0.00 C ATOM 244 CD2 LEU A 118 2.592 -0.763 -8.031 1.00 0.00 C ATOM 0 H LEU A 118 -1.391 -0.165 -7.176 1.00 0.00 H new ATOM 0 HA LEU A 118 0.311 -1.637 -8.984 1.00 0.00 H new ATOM 0 HB2 LEU A 118 -0.063 -1.526 -5.979 1.00 0.00 H new ATOM 0 HB3 LEU A 118 1.052 -2.644 -6.739 1.00 0.00 H new ATOM 0 HG LEU A 118 1.180 0.380 -6.909 1.00 0.00 H new ATOM 0 HD11 LEU A 118 3.216 0.125 -5.545 1.00 0.00 H new ATOM 0 HD12 LEU A 118 1.773 -0.478 -4.697 1.00 0.00 H new ATOM 0 HD13 LEU A 118 2.917 -1.625 -5.433 1.00 0.00 H new ATOM 0 HD21 LEU A 118 3.359 0.011 -8.005 1.00 0.00 H new ATOM 0 HD22 LEU A 118 3.064 -1.744 -7.990 1.00 0.00 H new ATOM 0 HD23 LEU A 118 2.019 -0.675 -8.954 1.00 0.00 H new ATOM 256 N ARG A 119 -2.375 -2.955 -8.401 1.00 0.00 N ATOM 257 CA ARG A 119 -3.213 -4.145 -8.481 1.00 0.00 C ATOM 258 C ARG A 119 -3.092 -4.980 -7.209 1.00 0.00 C ATOM 259 O ARG A 119 -3.309 -6.192 -7.228 1.00 0.00 O ATOM 260 CB ARG A 119 -2.824 -4.988 -9.696 1.00 0.00 C ATOM 261 CG ARG A 119 -3.055 -4.285 -11.024 1.00 0.00 C ATOM 262 CD ARG A 119 -4.485 -4.465 -11.508 1.00 0.00 C ATOM 263 NE ARG A 119 -4.817 -3.539 -12.587 1.00 0.00 N ATOM 264 CZ ARG A 119 -6.032 -3.432 -13.115 1.00 0.00 C ATOM 265 NH1 ARG A 119 -7.023 -4.188 -12.665 1.00 0.00 N ATOM 266 NH2 ARG A 119 -6.257 -2.565 -14.095 1.00 0.00 N ATOM 0 H ARG A 119 -2.873 -2.078 -8.553 1.00 0.00 H new ATOM 0 HA ARG A 119 -4.249 -3.823 -8.588 1.00 0.00 H new ATOM 0 HB2 ARG A 119 -1.772 -5.260 -9.617 1.00 0.00 H new ATOM 0 HB3 ARG A 119 -3.395 -5.916 -9.682 1.00 0.00 H new ATOM 0 HG2 ARG A 119 -2.837 -3.222 -10.917 1.00 0.00 H new ATOM 0 HG3 ARG A 119 -2.365 -4.679 -11.770 1.00 0.00 H new ATOM 0 HD2 ARG A 119 -4.625 -5.489 -11.853 1.00 0.00 H new ATOM 0 HD3 ARG A 119 -5.172 -4.313 -10.675 1.00 0.00 H new ATOM 0 HE ARG A 119 -4.077 -2.942 -12.955 1.00 0.00 H new ATOM 0 HH11 ARG A 119 -6.854 -4.854 -11.911 1.00 0.00 H new ATOM 0 HH12 ARG A 119 -7.954 -4.104 -13.072 1.00 0.00 H new ATOM 0 HH21 ARG A 119 -5.497 -1.980 -14.443 1.00 0.00 H new ATOM 0 HH22 ARG A 119 -7.190 -2.484 -14.500 1.00 0.00 H new ATOM 280 N MET A 120 -2.744 -4.325 -6.107 1.00 0.00 N ATOM 281 CA MET A 120 -2.595 -5.007 -4.827 1.00 0.00 C ATOM 282 C MET A 120 -3.944 -5.164 -4.134 1.00 0.00 C ATOM 283 O MET A 120 -4.196 -6.164 -3.464 1.00 0.00 O ATOM 284 CB MET A 120 -1.630 -4.236 -3.923 1.00 0.00 C ATOM 285 CG MET A 120 -0.168 -4.436 -4.284 1.00 0.00 C ATOM 286 SD MET A 120 0.928 -3.319 -3.388 1.00 0.00 S ATOM 287 CE MET A 120 0.888 -4.046 -1.751 1.00 0.00 C ATOM 0 H MET A 120 -2.560 -3.322 -6.074 1.00 0.00 H new ATOM 0 HA MET A 120 -2.187 -6.000 -5.018 1.00 0.00 H new ATOM 0 HB2 MET A 120 -1.867 -3.173 -3.976 1.00 0.00 H new ATOM 0 HB3 MET A 120 -1.786 -4.547 -2.890 1.00 0.00 H new ATOM 0 HG2 MET A 120 0.117 -5.466 -4.071 1.00 0.00 H new ATOM 0 HG3 MET A 120 -0.038 -4.284 -5.356 1.00 0.00 H new ATOM 0 HE1 MET A 120 0.729 -3.263 -1.009 1.00 0.00 H new ATOM 0 HE2 MET A 120 0.075 -4.770 -1.694 1.00 0.00 H new ATOM 0 HE3 MET A 120 1.835 -4.547 -1.552 1.00 0.00 H new ATOM 297 N ALA A 121 -4.809 -4.168 -4.300 1.00 0.00 N ATOM 298 CA ALA A 121 -6.133 -4.196 -3.692 1.00 0.00 C ATOM 299 C ALA A 121 -7.223 -4.296 -4.755 1.00 0.00 C ATOM 300 O ALA A 121 -6.968 -4.086 -5.939 1.00 0.00 O ATOM 301 CB ALA A 121 -6.345 -2.961 -2.830 1.00 0.00 C ATOM 0 H ALA A 121 -4.616 -3.332 -4.851 1.00 0.00 H new ATOM 0 HA ALA A 121 -6.196 -5.081 -3.059 1.00 0.00 H new ATOM 0 HB1 ALA A 121 -7.338 -2.996 -2.382 1.00 0.00 H new ATOM 0 HB2 ALA A 121 -5.593 -2.934 -2.042 1.00 0.00 H new ATOM 0 HB3 ALA A 121 -6.256 -2.067 -3.447 1.00 0.00 H new ATOM 307 N GLN A 122 -8.437 -4.619 -4.321 1.00 0.00 N ATOM 308 CA GLN A 122 -9.565 -4.747 -5.236 1.00 0.00 C ATOM 309 C GLN A 122 -10.145 -3.380 -5.581 1.00 0.00 C ATOM 310 O GLN A 122 -10.004 -2.900 -6.706 1.00 0.00 O ATOM 311 CB GLN A 122 -10.649 -5.634 -4.621 1.00 0.00 C ATOM 312 CG GLN A 122 -11.463 -6.402 -5.650 1.00 0.00 C ATOM 313 CD GLN A 122 -12.234 -7.556 -5.040 1.00 0.00 C ATOM 314 OE1 GLN A 122 -13.450 -7.281 -4.584 1.00 0.00 O flip ATOM 315 NE2 GLN A 122 -11.742 -8.683 -4.981 1.00 0.00 N flip ATOM 0 H GLN A 122 -8.664 -4.797 -3.343 1.00 0.00 H new ATOM 0 HA GLN A 122 -9.204 -5.210 -6.155 1.00 0.00 H new ATOM 0 HB2 GLN A 122 -10.182 -6.343 -3.937 1.00 0.00 H new ATOM 0 HB3 GLN A 122 -11.321 -5.014 -4.028 1.00 0.00 H new ATOM 0 HG2 GLN A 122 -12.161 -5.721 -6.138 1.00 0.00 H new ATOM 0 HG3 GLN A 122 -10.797 -6.784 -6.424 1.00 0.00 H new ATOM 0 HE21 GLN A 122 -10.803 -8.849 -5.344 1.00 0.00 H new ATOM 0 HE22 GLN A 122 -12.273 -9.450 -4.569 1.00 0.00 H new ATOM 324 N HIS A 123 -10.798 -2.756 -4.605 1.00 0.00 N ATOM 325 CA HIS A 123 -11.400 -1.442 -4.806 1.00 0.00 C ATOM 326 C HIS A 123 -10.997 -0.484 -3.689 1.00 0.00 C ATOM 327 O HIS A 123 -10.321 -0.873 -2.736 1.00 0.00 O ATOM 328 CB HIS A 123 -12.924 -1.560 -4.869 1.00 0.00 C ATOM 329 CG HIS A 123 -13.489 -2.552 -3.898 1.00 0.00 C ATOM 330 ND1 HIS A 123 -14.032 -2.190 -2.684 1.00 0.00 N ATOM 331 CD2 HIS A 123 -13.593 -3.899 -3.970 1.00 0.00 C ATOM 332 CE1 HIS A 123 -14.445 -3.273 -2.049 1.00 0.00 C ATOM 333 NE2 HIS A 123 -14.191 -4.323 -2.809 1.00 0.00 N ATOM 0 H HIS A 123 -10.924 -3.139 -3.668 1.00 0.00 H new ATOM 0 HA HIS A 123 -11.035 -1.043 -5.752 1.00 0.00 H new ATOM 0 HB2 HIS A 123 -13.364 -0.582 -4.674 1.00 0.00 H new ATOM 0 HB3 HIS A 123 -13.217 -1.846 -5.879 1.00 0.00 H new ATOM 0 HD2 HIS A 123 -13.267 -4.524 -4.788 1.00 0.00 H new ATOM 0 HE1 HIS A 123 -14.911 -3.296 -1.075 1.00 0.00 H new ATOM 0 HE2 HIS A 123 -14.404 -5.292 -2.572 1.00 0.00 H new ATOM 341 N LEU A 124 -11.417 0.771 -3.813 1.00 0.00 N ATOM 342 CA LEU A 124 -11.099 1.785 -2.815 1.00 0.00 C ATOM 343 C LEU A 124 -11.518 1.329 -1.422 1.00 0.00 C ATOM 344 O LEU A 124 -10.771 1.484 -0.456 1.00 0.00 O ATOM 345 CB LEU A 124 -11.791 3.105 -3.162 1.00 0.00 C ATOM 346 CG LEU A 124 -11.430 4.303 -2.284 1.00 0.00 C ATOM 347 CD1 LEU A 124 -9.942 4.602 -2.375 1.00 0.00 C ATOM 348 CD2 LEU A 124 -12.247 5.523 -2.685 1.00 0.00 C ATOM 0 H LEU A 124 -11.978 1.110 -4.595 1.00 0.00 H new ATOM 0 HA LEU A 124 -10.019 1.936 -2.818 1.00 0.00 H new ATOM 0 HB2 LEU A 124 -11.556 3.354 -4.197 1.00 0.00 H new ATOM 0 HB3 LEU A 124 -12.869 2.952 -3.108 1.00 0.00 H new ATOM 0 HG LEU A 124 -11.667 4.056 -1.249 1.00 0.00 H new ATOM 0 HD11 LEU A 124 -9.704 5.458 -1.743 1.00 0.00 H new ATOM 0 HD12 LEU A 124 -9.375 3.734 -2.039 1.00 0.00 H new ATOM 0 HD13 LEU A 124 -9.679 4.829 -3.408 1.00 0.00 H new ATOM 0 HD21 LEU A 124 -11.977 6.367 -2.050 1.00 0.00 H new ATOM 0 HD22 LEU A 124 -12.041 5.772 -3.726 1.00 0.00 H new ATOM 0 HD23 LEU A 124 -13.308 5.305 -2.567 1.00 0.00 H new ATOM 360 N GLN A 125 -12.717 0.762 -1.327 1.00 0.00 N ATOM 361 CA GLN A 125 -13.235 0.281 -0.051 1.00 0.00 C ATOM 362 C GLN A 125 -12.373 -0.855 0.493 1.00 0.00 C ATOM 363 O GLN A 125 -12.152 -0.956 1.699 1.00 0.00 O ATOM 364 CB GLN A 125 -14.681 -0.191 -0.209 1.00 0.00 C ATOM 365 CG GLN A 125 -15.506 -0.058 1.061 1.00 0.00 C ATOM 366 CD GLN A 125 -15.387 -1.270 1.965 1.00 0.00 C ATOM 367 OE1 GLN A 125 -14.587 -1.284 2.901 1.00 0.00 O ATOM 368 NE2 GLN A 125 -16.183 -2.296 1.689 1.00 0.00 N ATOM 0 H GLN A 125 -13.347 0.625 -2.117 1.00 0.00 H new ATOM 0 HA GLN A 125 -13.206 1.107 0.659 1.00 0.00 H new ATOM 0 HB2 GLN A 125 -15.157 0.383 -1.004 1.00 0.00 H new ATOM 0 HB3 GLN A 125 -14.682 -1.234 -0.525 1.00 0.00 H new ATOM 0 HG2 GLN A 125 -15.186 0.830 1.606 1.00 0.00 H new ATOM 0 HG3 GLN A 125 -16.553 0.091 0.796 1.00 0.00 H new ATOM 0 HE21 GLN A 125 -16.831 -2.242 0.903 1.00 0.00 H new ATOM 0 HE22 GLN A 125 -16.146 -3.139 2.263 1.00 0.00 H new ATOM 377 N ALA A 126 -11.891 -1.707 -0.405 1.00 0.00 N ATOM 378 CA ALA A 126 -11.052 -2.834 -0.016 1.00 0.00 C ATOM 379 C ALA A 126 -9.679 -2.362 0.451 1.00 0.00 C ATOM 380 O ALA A 126 -9.199 -2.770 1.508 1.00 0.00 O ATOM 381 CB ALA A 126 -10.910 -3.812 -1.173 1.00 0.00 C ATOM 0 H ALA A 126 -12.067 -1.638 -1.407 1.00 0.00 H new ATOM 0 HA ALA A 126 -11.536 -3.343 0.818 1.00 0.00 H new ATOM 0 HB1 ALA A 126 -10.281 -4.648 -0.868 1.00 0.00 H new ATOM 0 HB2 ALA A 126 -11.894 -4.184 -1.458 1.00 0.00 H new ATOM 0 HB3 ALA A 126 -10.453 -3.306 -2.023 1.00 0.00 H new ATOM 387 N ALA A 127 -9.054 -1.500 -0.344 1.00 0.00 N ATOM 388 CA ALA A 127 -7.737 -0.972 -0.011 1.00 0.00 C ATOM 389 C ALA A 127 -7.784 -0.150 1.274 1.00 0.00 C ATOM 390 O ALA A 127 -6.902 -0.260 2.125 1.00 0.00 O ATOM 391 CB ALA A 127 -7.200 -0.130 -1.158 1.00 0.00 C ATOM 0 H ALA A 127 -9.438 -1.153 -1.223 1.00 0.00 H new ATOM 0 HA ALA A 127 -7.066 -1.815 0.151 1.00 0.00 H new ATOM 0 HB1 ALA A 127 -6.216 0.258 -0.895 1.00 0.00 H new ATOM 0 HB2 ALA A 127 -7.120 -0.745 -2.054 1.00 0.00 H new ATOM 0 HB3 ALA A 127 -7.879 0.702 -1.348 1.00 0.00 H new ATOM 397 N VAL A 128 -8.818 0.675 1.405 1.00 0.00 N ATOM 398 CA VAL A 128 -8.980 1.515 2.586 1.00 0.00 C ATOM 399 C VAL A 128 -9.164 0.670 3.841 1.00 0.00 C ATOM 400 O VAL A 128 -8.556 0.938 4.877 1.00 0.00 O ATOM 401 CB VAL A 128 -10.184 2.464 2.438 1.00 0.00 C ATOM 402 CG1 VAL A 128 -10.366 3.296 3.698 1.00 0.00 C ATOM 403 CG2 VAL A 128 -10.010 3.359 1.220 1.00 0.00 C ATOM 0 H VAL A 128 -9.556 0.780 0.708 1.00 0.00 H new ATOM 0 HA VAL A 128 -8.070 2.107 2.681 1.00 0.00 H new ATOM 0 HB VAL A 128 -11.082 1.863 2.295 1.00 0.00 H new ATOM 0 HG11 VAL A 128 -11.221 3.960 3.575 1.00 0.00 H new ATOM 0 HG12 VAL A 128 -10.539 2.636 4.548 1.00 0.00 H new ATOM 0 HG13 VAL A 128 -9.469 3.889 3.875 1.00 0.00 H new ATOM 0 HG21 VAL A 128 -10.870 4.023 1.131 1.00 0.00 H new ATOM 0 HG22 VAL A 128 -9.103 3.953 1.332 1.00 0.00 H new ATOM 0 HG23 VAL A 128 -9.933 2.743 0.324 1.00 0.00 H new ATOM 413 N ALA A 129 -10.008 -0.353 3.741 1.00 0.00 N ATOM 414 CA ALA A 129 -10.270 -1.239 4.867 1.00 0.00 C ATOM 415 C ALA A 129 -9.013 -2.000 5.272 1.00 0.00 C ATOM 416 O ALA A 129 -8.696 -2.110 6.457 1.00 0.00 O ATOM 417 CB ALA A 129 -11.391 -2.210 4.524 1.00 0.00 C ATOM 0 H ALA A 129 -10.521 -0.588 2.891 1.00 0.00 H new ATOM 0 HA ALA A 129 -10.580 -0.627 5.714 1.00 0.00 H new ATOM 0 HB1 ALA A 129 -11.577 -2.866 5.374 1.00 0.00 H new ATOM 0 HB2 ALA A 129 -12.298 -1.652 4.292 1.00 0.00 H new ATOM 0 HB3 ALA A 129 -11.102 -2.808 3.660 1.00 0.00 H new ATOM 423 N PHE A 130 -8.301 -2.526 4.282 1.00 0.00 N ATOM 424 CA PHE A 130 -7.077 -3.279 4.535 1.00 0.00 C ATOM 425 C PHE A 130 -6.059 -2.425 5.285 1.00 0.00 C ATOM 426 O PHE A 130 -5.384 -2.901 6.197 1.00 0.00 O ATOM 427 CB PHE A 130 -6.475 -3.773 3.218 1.00 0.00 C ATOM 428 CG PHE A 130 -7.286 -4.849 2.555 1.00 0.00 C ATOM 429 CD1 PHE A 130 -7.783 -5.913 3.290 1.00 0.00 C ATOM 430 CD2 PHE A 130 -7.551 -4.797 1.196 1.00 0.00 C ATOM 431 CE1 PHE A 130 -8.530 -6.906 2.683 1.00 0.00 C ATOM 432 CE2 PHE A 130 -8.297 -5.786 0.584 1.00 0.00 C ATOM 433 CZ PHE A 130 -8.787 -6.842 1.328 1.00 0.00 C ATOM 0 H PHE A 130 -8.550 -2.445 3.296 1.00 0.00 H new ATOM 0 HA PHE A 130 -7.330 -4.139 5.155 1.00 0.00 H new ATOM 0 HB2 PHE A 130 -6.376 -2.930 2.534 1.00 0.00 H new ATOM 0 HB3 PHE A 130 -5.470 -4.150 3.406 1.00 0.00 H new ATOM 0 HD1 PHE A 130 -7.585 -5.968 4.350 1.00 0.00 H new ATOM 0 HD2 PHE A 130 -7.170 -3.974 0.609 1.00 0.00 H new ATOM 0 HE1 PHE A 130 -8.912 -7.730 3.268 1.00 0.00 H new ATOM 0 HE2 PHE A 130 -8.497 -5.734 -0.476 1.00 0.00 H new ATOM 0 HZ PHE A 130 -9.370 -7.616 0.851 1.00 0.00 H new ATOM 443 N VAL A 131 -5.953 -1.159 4.890 1.00 0.00 N ATOM 444 CA VAL A 131 -5.017 -0.238 5.525 1.00 0.00 C ATOM 445 C VAL A 131 -5.360 -0.031 6.995 1.00 0.00 C ATOM 446 O VAL A 131 -4.502 -0.162 7.867 1.00 0.00 O ATOM 447 CB VAL A 131 -5.007 1.128 4.814 1.00 0.00 C ATOM 448 CG1 VAL A 131 -4.103 2.107 5.549 1.00 0.00 C ATOM 449 CG2 VAL A 131 -4.570 0.973 3.365 1.00 0.00 C ATOM 0 H VAL A 131 -6.503 -0.749 4.135 1.00 0.00 H new ATOM 0 HA VAL A 131 -4.027 -0.688 5.447 1.00 0.00 H new ATOM 0 HB VAL A 131 -6.021 1.528 4.823 1.00 0.00 H new ATOM 0 HG11 VAL A 131 -4.109 3.066 5.032 1.00 0.00 H new ATOM 0 HG12 VAL A 131 -4.465 2.242 6.568 1.00 0.00 H new ATOM 0 HG13 VAL A 131 -3.086 1.715 5.574 1.00 0.00 H new ATOM 0 HG21 VAL A 131 -4.569 1.949 2.879 1.00 0.00 H new ATOM 0 HG22 VAL A 131 -3.566 0.550 3.331 1.00 0.00 H new ATOM 0 HG23 VAL A 131 -5.261 0.309 2.845 1.00 0.00 H new ATOM 459 N GLU A 132 -6.621 0.292 7.264 1.00 0.00 N ATOM 460 CA GLU A 132 -7.078 0.517 8.629 1.00 0.00 C ATOM 461 C GLU A 132 -7.046 -0.779 9.434 1.00 0.00 C ATOM 462 O GLU A 132 -7.062 -0.757 10.664 1.00 0.00 O ATOM 463 CB GLU A 132 -8.495 1.096 8.629 1.00 0.00 C ATOM 464 CG GLU A 132 -8.574 2.513 8.088 1.00 0.00 C ATOM 465 CD GLU A 132 -9.933 3.148 8.310 1.00 0.00 C ATOM 466 OE1 GLU A 132 -10.850 2.882 7.505 1.00 0.00 O ATOM 467 OE2 GLU A 132 -10.080 3.909 9.289 1.00 0.00 O ATOM 0 H GLU A 132 -7.344 0.404 6.554 1.00 0.00 H new ATOM 0 HA GLU A 132 -6.402 1.232 9.097 1.00 0.00 H new ATOM 0 HB2 GLU A 132 -9.141 0.452 8.033 1.00 0.00 H new ATOM 0 HB3 GLU A 132 -8.884 1.083 9.647 1.00 0.00 H new ATOM 0 HG2 GLU A 132 -7.809 3.124 8.567 1.00 0.00 H new ATOM 0 HG3 GLU A 132 -8.352 2.503 7.021 1.00 0.00 H new ATOM 474 N GLN A 133 -7.000 -1.905 8.730 1.00 0.00 N ATOM 475 CA GLN A 133 -6.968 -3.210 9.379 1.00 0.00 C ATOM 476 C GLN A 133 -5.532 -3.690 9.564 1.00 0.00 C ATOM 477 O GLN A 133 -5.288 -4.870 9.812 1.00 0.00 O ATOM 478 CB GLN A 133 -7.757 -4.231 8.558 1.00 0.00 C ATOM 479 CG GLN A 133 -9.253 -4.199 8.824 1.00 0.00 C ATOM 480 CD GLN A 133 -9.928 -5.522 8.521 1.00 0.00 C ATOM 481 OE1 GLN A 133 -9.725 -6.512 9.226 1.00 0.00 O ATOM 482 NE2 GLN A 133 -10.737 -5.549 7.468 1.00 0.00 N ATOM 0 H GLN A 133 -6.984 -1.940 7.711 1.00 0.00 H new ATOM 0 HA GLN A 133 -7.429 -3.111 10.362 1.00 0.00 H new ATOM 0 HB2 GLN A 133 -7.581 -4.047 7.498 1.00 0.00 H new ATOM 0 HB3 GLN A 133 -7.379 -5.230 8.775 1.00 0.00 H new ATOM 0 HG2 GLN A 133 -9.427 -3.937 9.868 1.00 0.00 H new ATOM 0 HG3 GLN A 133 -9.709 -3.416 8.219 1.00 0.00 H new ATOM 0 HE21 GLN A 133 -10.877 -4.706 6.911 1.00 0.00 H new ATOM 0 HE22 GLN A 133 -11.218 -6.413 7.217 1.00 0.00 H new ATOM 491 N GLY A 134 -4.583 -2.765 9.440 1.00 0.00 N ATOM 492 CA GLY A 134 -3.183 -3.114 9.597 1.00 0.00 C ATOM 493 C GLY A 134 -2.796 -4.336 8.788 1.00 0.00 C ATOM 494 O GLY A 134 -1.869 -5.062 9.150 1.00 0.00 O ATOM 0 H GLY A 134 -4.759 -1.782 9.234 1.00 0.00 H new ATOM 0 HA2 GLY A 134 -2.565 -2.270 9.292 1.00 0.00 H new ATOM 0 HA3 GLY A 134 -2.974 -3.298 10.651 1.00 0.00 H new ATOM 498 N HIS A 135 -3.507 -4.565 7.688 1.00 0.00 N ATOM 499 CA HIS A 135 -3.232 -5.708 6.825 1.00 0.00 C ATOM 500 C HIS A 135 -2.064 -5.415 5.888 1.00 0.00 C ATOM 501 O HIS A 135 -1.517 -6.321 5.260 1.00 0.00 O ATOM 502 CB HIS A 135 -4.475 -6.070 6.011 1.00 0.00 C ATOM 503 CG HIS A 135 -5.401 -7.011 6.717 1.00 0.00 C ATOM 504 ND1 HIS A 135 -6.704 -6.882 7.061 1.00 0.00 N flip ATOM 505 CD2 HIS A 135 -5.013 -8.260 7.156 1.00 0.00 C flip ATOM 506 CE1 HIS A 135 -7.076 -8.042 7.694 1.00 0.00 C flip ATOM 507 NE2 HIS A 135 -6.038 -8.858 7.738 1.00 0.00 N flip ATOM 0 H HIS A 135 -4.277 -3.975 7.374 1.00 0.00 H new ATOM 0 HA HIS A 135 -2.962 -6.553 7.459 1.00 0.00 H new ATOM 0 HB2 HIS A 135 -5.017 -5.157 5.765 1.00 0.00 H new ATOM 0 HB3 HIS A 135 -4.163 -6.519 5.068 1.00 0.00 H new ATOM 0 HD2 HIS A 135 -4.026 -8.683 7.042 1.00 0.00 H new ATOM 0 HE1 HIS A 135 -8.058 -8.253 8.091 1.00 0.00 H new ATOM 0 HE2 HIS A 135 -6.029 -9.791 8.151 1.00 0.00 H new ATOM 515 N VAL A 136 -1.687 -4.144 5.801 1.00 0.00 N ATOM 516 CA VAL A 136 -0.585 -3.730 4.942 1.00 0.00 C ATOM 517 C VAL A 136 0.375 -2.807 5.685 1.00 0.00 C ATOM 518 O VAL A 136 -0.048 -1.948 6.457 1.00 0.00 O ATOM 519 CB VAL A 136 -1.095 -3.012 3.679 1.00 0.00 C ATOM 520 CG1 VAL A 136 0.032 -2.830 2.675 1.00 0.00 C ATOM 521 CG2 VAL A 136 -2.252 -3.782 3.059 1.00 0.00 C ATOM 0 H VAL A 136 -2.129 -3.382 6.316 1.00 0.00 H new ATOM 0 HA VAL A 136 -0.058 -4.637 4.647 1.00 0.00 H new ATOM 0 HB VAL A 136 -1.457 -2.025 3.966 1.00 0.00 H new ATOM 0 HG11 VAL A 136 -0.348 -2.321 1.789 1.00 0.00 H new ATOM 0 HG12 VAL A 136 0.826 -2.233 3.124 1.00 0.00 H new ATOM 0 HG13 VAL A 136 0.427 -3.805 2.391 1.00 0.00 H new ATOM 0 HG21 VAL A 136 -2.600 -3.260 2.167 1.00 0.00 H new ATOM 0 HG22 VAL A 136 -1.918 -4.783 2.786 1.00 0.00 H new ATOM 0 HG23 VAL A 136 -3.068 -3.855 3.778 1.00 0.00 H new ATOM 531 N ARG A 137 1.669 -2.993 5.445 1.00 0.00 N ATOM 532 CA ARG A 137 2.690 -2.177 6.093 1.00 0.00 C ATOM 533 C ARG A 137 3.632 -1.565 5.061 1.00 0.00 C ATOM 534 O ARG A 137 3.807 -2.104 3.967 1.00 0.00 O ATOM 535 CB ARG A 137 3.487 -3.017 7.092 1.00 0.00 C ATOM 536 CG ARG A 137 4.462 -3.982 6.436 1.00 0.00 C ATOM 537 CD ARG A 137 5.675 -4.233 7.318 1.00 0.00 C ATOM 538 NE ARG A 137 6.363 -5.470 6.962 1.00 0.00 N ATOM 539 CZ ARG A 137 7.476 -5.889 7.554 1.00 0.00 C ATOM 540 NH1 ARG A 137 8.024 -5.172 8.527 1.00 0.00 N ATOM 541 NH2 ARG A 137 8.043 -7.028 7.175 1.00 0.00 N ATOM 0 H ARG A 137 2.035 -3.700 4.808 1.00 0.00 H new ATOM 0 HA ARG A 137 2.189 -1.369 6.627 1.00 0.00 H new ATOM 0 HB2 ARG A 137 4.039 -2.351 7.755 1.00 0.00 H new ATOM 0 HB3 ARG A 137 2.793 -3.582 7.714 1.00 0.00 H new ATOM 0 HG2 ARG A 137 3.958 -4.927 6.231 1.00 0.00 H new ATOM 0 HG3 ARG A 137 4.786 -3.578 5.477 1.00 0.00 H new ATOM 0 HD2 ARG A 137 6.367 -3.395 7.230 1.00 0.00 H new ATOM 0 HD3 ARG A 137 5.362 -4.280 8.361 1.00 0.00 H new ATOM 0 HE ARG A 137 5.967 -6.044 6.218 1.00 0.00 H new ATOM 0 HH11 ARG A 137 7.591 -4.297 8.822 1.00 0.00 H new ATOM 0 HH12 ARG A 137 8.879 -5.496 8.980 1.00 0.00 H new ATOM 0 HH21 ARG A 137 7.624 -7.583 6.428 1.00 0.00 H new ATOM 0 HH22 ARG A 137 8.898 -7.349 7.630 1.00 0.00 H new ATOM 555 N VAL A 138 4.238 -0.436 5.415 1.00 0.00 N ATOM 556 CA VAL A 138 5.164 0.248 4.521 1.00 0.00 C ATOM 557 C VAL A 138 6.559 0.331 5.131 1.00 0.00 C ATOM 558 O VAL A 138 6.773 1.024 6.125 1.00 0.00 O ATOM 559 CB VAL A 138 4.675 1.670 4.189 1.00 0.00 C ATOM 560 CG1 VAL A 138 5.679 2.386 3.298 1.00 0.00 C ATOM 561 CG2 VAL A 138 3.305 1.622 3.530 1.00 0.00 C ATOM 0 H VAL A 138 4.104 0.024 6.315 1.00 0.00 H new ATOM 0 HA VAL A 138 5.208 -0.337 3.603 1.00 0.00 H new ATOM 0 HB VAL A 138 4.586 2.231 5.119 1.00 0.00 H new ATOM 0 HG11 VAL A 138 5.316 3.389 3.074 1.00 0.00 H new ATOM 0 HG12 VAL A 138 6.638 2.453 3.811 1.00 0.00 H new ATOM 0 HG13 VAL A 138 5.803 1.829 2.369 1.00 0.00 H new ATOM 0 HG21 VAL A 138 2.975 2.636 3.302 1.00 0.00 H new ATOM 0 HG22 VAL A 138 3.365 1.044 2.608 1.00 0.00 H new ATOM 0 HG23 VAL A 138 2.592 1.152 4.207 1.00 0.00 H new ATOM 571 N GLY A 139 7.506 -0.381 4.529 1.00 0.00 N ATOM 572 CA GLY A 139 8.869 -0.374 5.026 1.00 0.00 C ATOM 573 C GLY A 139 8.955 -0.764 6.488 1.00 0.00 C ATOM 574 O GLY A 139 8.152 -1.553 6.989 1.00 0.00 O ATOM 0 H GLY A 139 7.353 -0.963 3.705 1.00 0.00 H new ATOM 0 HA2 GLY A 139 9.472 -1.062 4.434 1.00 0.00 H new ATOM 0 HA3 GLY A 139 9.296 0.620 4.893 1.00 0.00 H new ATOM 578 N PRO A 140 9.948 -0.208 7.196 1.00 0.00 N ATOM 579 CA PRO A 140 10.160 -0.490 8.620 1.00 0.00 C ATOM 580 C PRO A 140 9.067 0.108 9.498 1.00 0.00 C ATOM 581 O PRO A 140 9.124 0.020 10.725 1.00 0.00 O ATOM 582 CB PRO A 140 11.507 0.174 8.915 1.00 0.00 C ATOM 583 CG PRO A 140 11.630 1.254 7.898 1.00 0.00 C ATOM 584 CD PRO A 140 10.941 0.740 6.663 1.00 0.00 C ATOM 0 HA PRO A 140 10.141 -1.559 8.832 1.00 0.00 H new ATOM 0 HB2 PRO A 140 11.535 0.578 9.927 1.00 0.00 H new ATOM 0 HB3 PRO A 140 12.326 -0.540 8.834 1.00 0.00 H new ATOM 0 HG2 PRO A 140 11.166 2.175 8.249 1.00 0.00 H new ATOM 0 HG3 PRO A 140 12.676 1.482 7.695 1.00 0.00 H new ATOM 0 HD2 PRO A 140 10.467 1.546 6.103 1.00 0.00 H new ATOM 0 HD3 PRO A 140 11.641 0.250 5.986 1.00 0.00 H new ATOM 592 N ASP A 141 8.071 0.718 8.863 1.00 0.00 N ATOM 593 CA ASP A 141 6.964 1.330 9.587 1.00 0.00 C ATOM 594 C ASP A 141 5.635 0.700 9.181 1.00 0.00 C ATOM 595 O ASP A 141 5.362 0.509 7.996 1.00 0.00 O ATOM 596 CB ASP A 141 6.927 2.837 9.328 1.00 0.00 C ATOM 597 CG ASP A 141 8.134 3.552 9.904 1.00 0.00 C ATOM 598 OD1 ASP A 141 9.228 3.439 9.314 1.00 0.00 O ATOM 599 OD2 ASP A 141 7.983 4.225 10.946 1.00 0.00 O ATOM 0 H ASP A 141 8.009 0.801 7.848 1.00 0.00 H new ATOM 0 HA ASP A 141 7.119 1.156 10.652 1.00 0.00 H new ATOM 0 HB2 ASP A 141 6.879 3.017 8.254 1.00 0.00 H new ATOM 0 HB3 ASP A 141 6.019 3.255 9.762 1.00 0.00 H new ATOM 604 N VAL A 142 4.811 0.378 10.173 1.00 0.00 N ATOM 605 CA VAL A 142 3.510 -0.231 9.920 1.00 0.00 C ATOM 606 C VAL A 142 2.425 0.830 9.778 1.00 0.00 C ATOM 607 O VAL A 142 2.068 1.502 10.746 1.00 0.00 O ATOM 608 CB VAL A 142 3.117 -1.205 11.046 1.00 0.00 C ATOM 609 CG1 VAL A 142 1.687 -1.688 10.860 1.00 0.00 C ATOM 610 CG2 VAL A 142 4.082 -2.379 11.097 1.00 0.00 C ATOM 0 H VAL A 142 5.021 0.529 11.160 1.00 0.00 H new ATOM 0 HA VAL A 142 3.597 -0.785 8.985 1.00 0.00 H new ATOM 0 HB VAL A 142 3.175 -0.675 11.997 1.00 0.00 H new ATOM 0 HG11 VAL A 142 1.427 -2.375 11.665 1.00 0.00 H new ATOM 0 HG12 VAL A 142 1.009 -0.834 10.879 1.00 0.00 H new ATOM 0 HG13 VAL A 142 1.598 -2.201 9.902 1.00 0.00 H new ATOM 0 HG21 VAL A 142 3.788 -3.057 11.899 1.00 0.00 H new ATOM 0 HG22 VAL A 142 4.059 -2.911 10.146 1.00 0.00 H new ATOM 0 HG23 VAL A 142 5.091 -2.012 11.283 1.00 0.00 H new ATOM 620 N VAL A 143 1.902 0.976 8.564 1.00 0.00 N ATOM 621 CA VAL A 143 0.856 1.954 8.295 1.00 0.00 C ATOM 622 C VAL A 143 -0.519 1.402 8.656 1.00 0.00 C ATOM 623 O VAL A 143 -0.875 0.289 8.267 1.00 0.00 O ATOM 624 CB VAL A 143 0.853 2.381 6.816 1.00 0.00 C ATOM 625 CG1 VAL A 143 -0.379 3.216 6.502 1.00 0.00 C ATOM 626 CG2 VAL A 143 2.125 3.146 6.480 1.00 0.00 C ATOM 0 H VAL A 143 2.186 0.429 7.752 1.00 0.00 H new ATOM 0 HA VAL A 143 1.070 2.824 8.916 1.00 0.00 H new ATOM 0 HB VAL A 143 0.821 1.484 6.198 1.00 0.00 H new ATOM 0 HG11 VAL A 143 -0.363 3.508 5.452 1.00 0.00 H new ATOM 0 HG12 VAL A 143 -1.276 2.630 6.702 1.00 0.00 H new ATOM 0 HG13 VAL A 143 -0.382 4.109 7.127 1.00 0.00 H new ATOM 0 HG21 VAL A 143 2.106 3.440 5.431 1.00 0.00 H new ATOM 0 HG22 VAL A 143 2.190 4.036 7.105 1.00 0.00 H new ATOM 0 HG23 VAL A 143 2.991 2.510 6.663 1.00 0.00 H new ATOM 636 N THR A 144 -1.290 2.187 9.402 1.00 0.00 N ATOM 637 CA THR A 144 -2.626 1.777 9.816 1.00 0.00 C ATOM 638 C THR A 144 -3.674 2.793 9.376 1.00 0.00 C ATOM 639 O THR A 144 -4.769 2.852 9.935 1.00 0.00 O ATOM 640 CB THR A 144 -2.711 1.598 11.343 1.00 0.00 C ATOM 641 OG1 THR A 144 -2.003 2.655 12.000 1.00 0.00 O ATOM 642 CG2 THR A 144 -2.131 0.256 11.763 1.00 0.00 C ATOM 0 H THR A 144 -1.012 3.111 9.732 1.00 0.00 H new ATOM 0 HA THR A 144 -2.826 0.820 9.334 1.00 0.00 H new ATOM 0 HB THR A 144 -3.761 1.629 11.633 1.00 0.00 H new ATOM 0 HG1 THR A 144 -2.063 2.535 12.971 1.00 0.00 H new ATOM 0 HG21 THR A 144 -2.202 0.152 12.846 1.00 0.00 H new ATOM 0 HG22 THR A 144 -2.690 -0.548 11.284 1.00 0.00 H new ATOM 0 HG23 THR A 144 -1.085 0.201 11.461 1.00 0.00 H new ATOM 650 N ASP A 145 -3.332 3.591 8.369 1.00 0.00 N ATOM 651 CA ASP A 145 -4.245 4.604 7.854 1.00 0.00 C ATOM 652 C ASP A 145 -4.065 4.782 6.349 1.00 0.00 C ATOM 653 O ASP A 145 -2.949 4.780 5.828 1.00 0.00 O ATOM 654 CB ASP A 145 -4.018 5.937 8.568 1.00 0.00 C ATOM 655 CG ASP A 145 -5.216 6.861 8.463 1.00 0.00 C ATOM 656 OD1 ASP A 145 -5.290 7.625 7.476 1.00 0.00 O ATOM 657 OD2 ASP A 145 -6.076 6.822 9.365 1.00 0.00 O ATOM 0 H ASP A 145 -2.430 3.555 7.894 1.00 0.00 H new ATOM 0 HA ASP A 145 -5.265 4.269 8.044 1.00 0.00 H new ATOM 0 HB2 ASP A 145 -3.798 5.750 9.619 1.00 0.00 H new ATOM 0 HB3 ASP A 145 -3.144 6.430 8.142 1.00 0.00 H new ATOM 662 N PRO A 146 -5.187 4.938 5.632 1.00 0.00 N ATOM 663 CA PRO A 146 -5.180 5.119 4.178 1.00 0.00 C ATOM 664 C PRO A 146 -4.612 6.473 3.766 1.00 0.00 C ATOM 665 O PRO A 146 -4.010 6.606 2.701 1.00 0.00 O ATOM 666 CB PRO A 146 -6.660 5.022 3.799 1.00 0.00 C ATOM 667 CG PRO A 146 -7.392 5.424 5.033 1.00 0.00 C ATOM 668 CD PRO A 146 -6.551 4.950 6.187 1.00 0.00 C ATOM 0 HA PRO A 146 -4.550 4.382 3.679 1.00 0.00 H new ATOM 0 HB2 PRO A 146 -6.899 5.681 2.964 1.00 0.00 H new ATOM 0 HB3 PRO A 146 -6.925 4.010 3.493 1.00 0.00 H new ATOM 0 HG2 PRO A 146 -7.531 6.504 5.070 1.00 0.00 H new ATOM 0 HG3 PRO A 146 -8.384 4.974 5.062 1.00 0.00 H new ATOM 0 HD2 PRO A 146 -6.630 5.619 7.044 1.00 0.00 H new ATOM 0 HD3 PRO A 146 -6.856 3.960 6.526 1.00 0.00 H new ATOM 676 N ALA A 147 -4.806 7.476 4.616 1.00 0.00 N ATOM 677 CA ALA A 147 -4.311 8.818 4.341 1.00 0.00 C ATOM 678 C ALA A 147 -2.790 8.833 4.239 1.00 0.00 C ATOM 679 O ALA A 147 -2.191 9.844 3.871 1.00 0.00 O ATOM 680 CB ALA A 147 -4.779 9.785 5.419 1.00 0.00 C ATOM 0 H ALA A 147 -5.303 7.384 5.502 1.00 0.00 H new ATOM 0 HA ALA A 147 -4.716 9.137 3.381 1.00 0.00 H new ATOM 0 HB1 ALA A 147 -4.402 10.784 5.200 1.00 0.00 H new ATOM 0 HB2 ALA A 147 -5.869 9.806 5.441 1.00 0.00 H new ATOM 0 HB3 ALA A 147 -4.402 9.459 6.389 1.00 0.00 H new ATOM 686 N PHE A 148 -2.169 7.706 4.570 1.00 0.00 N ATOM 687 CA PHE A 148 -0.716 7.588 4.518 1.00 0.00 C ATOM 688 C PHE A 148 -0.192 7.933 3.126 1.00 0.00 C ATOM 689 O PHE A 148 -0.575 7.310 2.135 1.00 0.00 O ATOM 690 CB PHE A 148 -0.282 6.173 4.902 1.00 0.00 C ATOM 691 CG PHE A 148 1.194 5.939 4.762 1.00 0.00 C ATOM 692 CD1 PHE A 148 2.094 6.589 5.591 1.00 0.00 C ATOM 693 CD2 PHE A 148 1.684 5.069 3.801 1.00 0.00 C ATOM 694 CE1 PHE A 148 3.453 6.377 5.464 1.00 0.00 C ATOM 695 CE2 PHE A 148 3.042 4.852 3.669 1.00 0.00 C ATOM 696 CZ PHE A 148 3.928 5.506 4.503 1.00 0.00 C ATOM 0 H PHE A 148 -2.649 6.860 4.877 1.00 0.00 H new ATOM 0 HA PHE A 148 -0.294 8.295 5.232 1.00 0.00 H new ATOM 0 HB2 PHE A 148 -0.576 5.979 5.934 1.00 0.00 H new ATOM 0 HB3 PHE A 148 -0.816 5.456 4.278 1.00 0.00 H new ATOM 0 HD1 PHE A 148 1.729 7.270 6.346 1.00 0.00 H new ATOM 0 HD2 PHE A 148 0.996 4.554 3.147 1.00 0.00 H new ATOM 0 HE1 PHE A 148 4.144 6.892 6.116 1.00 0.00 H new ATOM 0 HE2 PHE A 148 3.410 4.172 2.915 1.00 0.00 H new ATOM 0 HZ PHE A 148 4.990 5.337 4.404 1.00 0.00 H new ATOM 706 N LEU A 149 0.684 8.930 3.061 1.00 0.00 N ATOM 707 CA LEU A 149 1.261 9.359 1.792 1.00 0.00 C ATOM 708 C LEU A 149 2.469 8.503 1.426 1.00 0.00 C ATOM 709 O LEU A 149 3.288 8.169 2.282 1.00 0.00 O ATOM 710 CB LEU A 149 1.667 10.832 1.865 1.00 0.00 C ATOM 711 CG LEU A 149 0.522 11.841 1.940 1.00 0.00 C ATOM 712 CD1 LEU A 149 1.061 13.263 1.901 1.00 0.00 C ATOM 713 CD2 LEU A 149 -0.465 11.612 0.805 1.00 0.00 C ATOM 0 H LEU A 149 1.010 9.456 3.872 1.00 0.00 H new ATOM 0 HA LEU A 149 0.504 9.236 1.017 1.00 0.00 H new ATOM 0 HB2 LEU A 149 2.304 10.970 2.739 1.00 0.00 H new ATOM 0 HB3 LEU A 149 2.273 11.065 0.989 1.00 0.00 H new ATOM 0 HG LEU A 149 -0.002 11.698 2.885 1.00 0.00 H new ATOM 0 HD11 LEU A 149 0.232 13.968 1.955 1.00 0.00 H new ATOM 0 HD12 LEU A 149 1.729 13.422 2.748 1.00 0.00 H new ATOM 0 HD13 LEU A 149 1.609 13.419 0.972 1.00 0.00 H new ATOM 0 HD21 LEU A 149 -1.274 12.339 0.874 1.00 0.00 H new ATOM 0 HD22 LEU A 149 0.046 11.727 -0.151 1.00 0.00 H new ATOM 0 HD23 LEU A 149 -0.876 10.605 0.877 1.00 0.00 H new ATOM 725 N VAL A 150 2.575 8.153 0.147 1.00 0.00 N ATOM 726 CA VAL A 150 3.685 7.339 -0.333 1.00 0.00 C ATOM 727 C VAL A 150 4.304 7.941 -1.589 1.00 0.00 C ATOM 728 O VAL A 150 3.596 8.354 -2.509 1.00 0.00 O ATOM 729 CB VAL A 150 3.235 5.898 -0.636 1.00 0.00 C ATOM 730 CG1 VAL A 150 4.409 5.062 -1.120 1.00 0.00 C ATOM 731 CG2 VAL A 150 2.594 5.270 0.593 1.00 0.00 C ATOM 0 H VAL A 150 1.905 8.421 -0.574 1.00 0.00 H new ATOM 0 HA VAL A 150 4.430 7.319 0.463 1.00 0.00 H new ATOM 0 HB VAL A 150 2.490 5.929 -1.431 1.00 0.00 H new ATOM 0 HG11 VAL A 150 4.071 4.047 -1.329 1.00 0.00 H new ATOM 0 HG12 VAL A 150 4.819 5.502 -2.029 1.00 0.00 H new ATOM 0 HG13 VAL A 150 5.180 5.037 -0.350 1.00 0.00 H new ATOM 0 HG21 VAL A 150 2.282 4.252 0.361 1.00 0.00 H new ATOM 0 HG22 VAL A 150 3.315 5.251 1.410 1.00 0.00 H new ATOM 0 HG23 VAL A 150 1.725 5.857 0.890 1.00 0.00 H new ATOM 741 N THR A 151 5.633 7.989 -1.624 1.00 0.00 N ATOM 742 CA THR A 151 6.349 8.541 -2.767 1.00 0.00 C ATOM 743 C THR A 151 6.981 7.436 -3.606 1.00 0.00 C ATOM 744 O THR A 151 6.917 6.260 -3.248 1.00 0.00 O ATOM 745 CB THR A 151 7.447 9.523 -2.320 1.00 0.00 C ATOM 746 OG1 THR A 151 8.022 10.168 -3.463 1.00 0.00 O ATOM 747 CG2 THR A 151 8.534 8.801 -1.537 1.00 0.00 C ATOM 0 H THR A 151 6.235 7.652 -0.873 1.00 0.00 H new ATOM 0 HA THR A 151 5.616 9.077 -3.371 1.00 0.00 H new ATOM 0 HB THR A 151 6.992 10.272 -1.671 1.00 0.00 H new ATOM 0 HG1 THR A 151 8.718 10.792 -3.170 1.00 0.00 H new ATOM 0 HG21 THR A 151 9.298 9.516 -1.232 1.00 0.00 H new ATOM 0 HG22 THR A 151 8.098 8.337 -0.653 1.00 0.00 H new ATOM 0 HG23 THR A 151 8.985 8.033 -2.165 1.00 0.00 H new ATOM 755 N ARG A 152 7.593 7.822 -4.720 1.00 0.00 N ATOM 756 CA ARG A 152 8.236 6.863 -5.610 1.00 0.00 C ATOM 757 C ARG A 152 9.209 5.975 -4.839 1.00 0.00 C ATOM 758 O ARG A 152 9.165 4.749 -4.947 1.00 0.00 O ATOM 759 CB ARG A 152 8.976 7.594 -6.732 1.00 0.00 C ATOM 760 CG ARG A 152 8.068 8.433 -7.615 1.00 0.00 C ATOM 761 CD ARG A 152 7.365 7.581 -8.661 1.00 0.00 C ATOM 762 NE ARG A 152 6.795 8.390 -9.734 1.00 0.00 N ATOM 763 CZ ARG A 152 5.633 9.025 -9.637 1.00 0.00 C ATOM 764 NH1 ARG A 152 4.920 8.944 -8.522 1.00 0.00 N ATOM 765 NH2 ARG A 152 5.180 9.742 -10.658 1.00 0.00 N ATOM 0 H ARG A 152 7.657 8.792 -5.028 1.00 0.00 H new ATOM 0 HA ARG A 152 7.461 6.232 -6.046 1.00 0.00 H new ATOM 0 HB2 ARG A 152 9.738 8.238 -6.293 1.00 0.00 H new ATOM 0 HB3 ARG A 152 9.495 6.862 -7.351 1.00 0.00 H new ATOM 0 HG2 ARG A 152 7.326 8.940 -6.998 1.00 0.00 H new ATOM 0 HG3 ARG A 152 8.654 9.208 -8.109 1.00 0.00 H new ATOM 0 HD2 ARG A 152 8.073 6.867 -9.082 1.00 0.00 H new ATOM 0 HD3 ARG A 152 6.574 7.002 -8.185 1.00 0.00 H new ATOM 0 HE ARG A 152 7.318 8.472 -10.606 1.00 0.00 H new ATOM 0 HH11 ARG A 152 5.264 8.393 -7.736 1.00 0.00 H new ATOM 0 HH12 ARG A 152 4.028 9.433 -8.451 1.00 0.00 H new ATOM 0 HH21 ARG A 152 5.725 9.805 -11.518 1.00 0.00 H new ATOM 0 HH22 ARG A 152 4.287 10.229 -10.583 1.00 0.00 H new ATOM 779 N SER A 153 10.086 6.602 -4.061 1.00 0.00 N ATOM 780 CA SER A 153 11.072 5.869 -3.276 1.00 0.00 C ATOM 781 C SER A 153 10.391 5.007 -2.217 1.00 0.00 C ATOM 782 O SER A 153 10.982 4.063 -1.695 1.00 0.00 O ATOM 783 CB SER A 153 12.050 6.840 -2.611 1.00 0.00 C ATOM 784 OG SER A 153 13.042 6.142 -1.878 1.00 0.00 O ATOM 0 H SER A 153 10.134 7.616 -3.958 1.00 0.00 H new ATOM 0 HA SER A 153 11.625 5.215 -3.950 1.00 0.00 H new ATOM 0 HB2 SER A 153 12.524 7.461 -3.371 1.00 0.00 H new ATOM 0 HB3 SER A 153 11.506 7.510 -1.946 1.00 0.00 H new ATOM 0 HG SER A 153 13.655 6.784 -1.464 1.00 0.00 H new ATOM 790 N MET A 154 9.144 5.341 -1.904 1.00 0.00 N ATOM 791 CA MET A 154 8.381 4.600 -0.907 1.00 0.00 C ATOM 792 C MET A 154 7.423 3.618 -1.576 1.00 0.00 C ATOM 793 O MET A 154 6.924 2.692 -0.937 1.00 0.00 O ATOM 794 CB MET A 154 7.600 5.561 -0.010 1.00 0.00 C ATOM 795 CG MET A 154 7.199 4.957 1.326 1.00 0.00 C ATOM 796 SD MET A 154 6.835 6.208 2.573 1.00 0.00 S ATOM 797 CE MET A 154 8.128 5.880 3.768 1.00 0.00 C ATOM 0 H MET A 154 8.640 6.121 -2.327 1.00 0.00 H new ATOM 0 HA MET A 154 9.084 4.036 -0.295 1.00 0.00 H new ATOM 0 HB2 MET A 154 8.205 6.450 0.170 1.00 0.00 H new ATOM 0 HB3 MET A 154 6.703 5.887 -0.536 1.00 0.00 H new ATOM 0 HG2 MET A 154 6.323 4.324 1.186 1.00 0.00 H new ATOM 0 HG3 MET A 154 8.003 4.314 1.686 1.00 0.00 H new ATOM 0 HE1 MET A 154 8.037 6.575 4.603 1.00 0.00 H new ATOM 0 HE2 MET A 154 8.033 4.858 4.135 1.00 0.00 H new ATOM 0 HE3 MET A 154 9.102 6.007 3.295 1.00 0.00 H new ATOM 807 N GLU A 155 7.171 3.829 -2.864 1.00 0.00 N ATOM 808 CA GLU A 155 6.272 2.963 -3.617 1.00 0.00 C ATOM 809 C GLU A 155 6.791 1.528 -3.640 1.00 0.00 C ATOM 810 O GLU A 155 6.018 0.579 -3.772 1.00 0.00 O ATOM 811 CB GLU A 155 6.108 3.481 -5.048 1.00 0.00 C ATOM 812 CG GLU A 155 5.098 4.609 -5.175 1.00 0.00 C ATOM 813 CD GLU A 155 3.696 4.106 -5.462 1.00 0.00 C ATOM 814 OE1 GLU A 155 3.542 2.894 -5.720 1.00 0.00 O ATOM 815 OE2 GLU A 155 2.754 4.925 -5.431 1.00 0.00 O ATOM 0 H GLU A 155 7.576 4.591 -3.407 1.00 0.00 H new ATOM 0 HA GLU A 155 5.301 2.972 -3.122 1.00 0.00 H new ATOM 0 HB2 GLU A 155 7.075 3.828 -5.413 1.00 0.00 H new ATOM 0 HB3 GLU A 155 5.802 2.656 -5.691 1.00 0.00 H new ATOM 0 HG2 GLU A 155 5.090 5.190 -4.253 1.00 0.00 H new ATOM 0 HG3 GLU A 155 5.409 5.282 -5.974 1.00 0.00 H new ATOM 822 N ASP A 156 8.104 1.379 -3.512 1.00 0.00 N ATOM 823 CA ASP A 156 8.728 0.060 -3.517 1.00 0.00 C ATOM 824 C ASP A 156 8.797 -0.514 -2.105 1.00 0.00 C ATOM 825 O ASP A 156 9.016 -1.712 -1.921 1.00 0.00 O ATOM 826 CB ASP A 156 10.132 0.139 -4.118 1.00 0.00 C ATOM 827 CG ASP A 156 10.108 0.410 -5.610 1.00 0.00 C ATOM 828 OD1 ASP A 156 9.870 1.573 -5.998 1.00 0.00 O ATOM 829 OD2 ASP A 156 10.329 -0.541 -6.389 1.00 0.00 O ATOM 0 H ASP A 156 8.758 2.154 -3.403 1.00 0.00 H new ATOM 0 HA ASP A 156 8.116 -0.602 -4.129 1.00 0.00 H new ATOM 0 HB2 ASP A 156 10.695 0.927 -3.617 1.00 0.00 H new ATOM 0 HB3 ASP A 156 10.658 -0.797 -3.930 1.00 0.00 H new ATOM 834 N PHE A 157 8.610 0.348 -1.112 1.00 0.00 N ATOM 835 CA PHE A 157 8.653 -0.073 0.284 1.00 0.00 C ATOM 836 C PHE A 157 7.277 -0.536 0.755 1.00 0.00 C ATOM 837 O PHE A 157 6.991 -0.550 1.953 1.00 0.00 O ATOM 838 CB PHE A 157 9.148 1.072 1.169 1.00 0.00 C ATOM 839 CG PHE A 157 10.645 1.143 1.275 1.00 0.00 C ATOM 840 CD1 PHE A 157 11.354 0.146 1.926 1.00 0.00 C ATOM 841 CD2 PHE A 157 11.343 2.207 0.724 1.00 0.00 C ATOM 842 CE1 PHE A 157 12.731 0.210 2.025 1.00 0.00 C ATOM 843 CE2 PHE A 157 12.720 2.275 0.822 1.00 0.00 C ATOM 844 CZ PHE A 157 13.415 1.275 1.471 1.00 0.00 C ATOM 0 H PHE A 157 8.427 1.342 -1.247 1.00 0.00 H new ATOM 0 HA PHE A 157 9.346 -0.910 0.364 1.00 0.00 H new ATOM 0 HB2 PHE A 157 8.775 2.016 0.771 1.00 0.00 H new ATOM 0 HB3 PHE A 157 8.726 0.958 2.167 1.00 0.00 H new ATOM 0 HD1 PHE A 157 10.825 -0.689 2.360 1.00 0.00 H new ATOM 0 HD2 PHE A 157 10.805 2.991 0.213 1.00 0.00 H new ATOM 0 HE1 PHE A 157 13.273 -0.573 2.536 1.00 0.00 H new ATOM 0 HE2 PHE A 157 13.252 3.110 0.391 1.00 0.00 H new ATOM 0 HZ PHE A 157 14.491 1.325 1.546 1.00 0.00 H new ATOM 854 N VAL A 158 6.428 -0.914 -0.196 1.00 0.00 N ATOM 855 CA VAL A 158 5.083 -1.378 0.121 1.00 0.00 C ATOM 856 C VAL A 158 5.013 -2.901 0.118 1.00 0.00 C ATOM 857 O VAL A 158 5.301 -3.546 -0.891 1.00 0.00 O ATOM 858 CB VAL A 158 4.049 -0.826 -0.879 1.00 0.00 C ATOM 859 CG1 VAL A 158 2.683 -1.448 -0.633 1.00 0.00 C ATOM 860 CG2 VAL A 158 3.978 0.691 -0.786 1.00 0.00 C ATOM 0 H VAL A 158 6.648 -0.908 -1.192 1.00 0.00 H new ATOM 0 HA VAL A 158 4.847 -1.008 1.119 1.00 0.00 H new ATOM 0 HB VAL A 158 4.366 -1.092 -1.888 1.00 0.00 H new ATOM 0 HG11 VAL A 158 1.966 -1.046 -1.349 1.00 0.00 H new ATOM 0 HG12 VAL A 158 2.749 -2.529 -0.753 1.00 0.00 H new ATOM 0 HG13 VAL A 158 2.354 -1.215 0.380 1.00 0.00 H new ATOM 0 HG21 VAL A 158 3.243 1.065 -1.499 1.00 0.00 H new ATOM 0 HG22 VAL A 158 3.685 0.980 0.223 1.00 0.00 H new ATOM 0 HG23 VAL A 158 4.955 1.116 -1.016 1.00 0.00 H new ATOM 870 N THR A 159 4.625 -3.472 1.254 1.00 0.00 N ATOM 871 CA THR A 159 4.517 -4.919 1.385 1.00 0.00 C ATOM 872 C THR A 159 3.299 -5.307 2.216 1.00 0.00 C ATOM 873 O THR A 159 2.792 -4.507 3.000 1.00 0.00 O ATOM 874 CB THR A 159 5.779 -5.521 2.032 1.00 0.00 C ATOM 875 OG1 THR A 159 5.623 -6.936 2.186 1.00 0.00 O ATOM 876 CG2 THR A 159 6.046 -4.886 3.388 1.00 0.00 C ATOM 0 H THR A 159 4.380 -2.953 2.097 1.00 0.00 H new ATOM 0 HA THR A 159 4.408 -5.320 0.377 1.00 0.00 H new ATOM 0 HB THR A 159 6.628 -5.318 1.379 1.00 0.00 H new ATOM 0 HG1 THR A 159 6.430 -7.311 2.596 1.00 0.00 H new ATOM 0 HG21 THR A 159 6.942 -5.327 3.826 1.00 0.00 H new ATOM 0 HG22 THR A 159 6.192 -3.813 3.265 1.00 0.00 H new ATOM 0 HG23 THR A 159 5.196 -5.063 4.046 1.00 0.00 H new ATOM 884 N TRP A 160 2.836 -6.539 2.037 1.00 0.00 N ATOM 885 CA TRP A 160 1.677 -7.033 2.771 1.00 0.00 C ATOM 886 C TRP A 160 2.085 -7.556 4.144 1.00 0.00 C ATOM 887 O TRP A 160 3.073 -8.277 4.276 1.00 0.00 O ATOM 888 CB TRP A 160 0.977 -8.138 1.978 1.00 0.00 C ATOM 889 CG TRP A 160 0.108 -7.616 0.874 1.00 0.00 C ATOM 890 CD1 TRP A 160 0.416 -7.559 -0.455 1.00 0.00 C ATOM 891 CD2 TRP A 160 -1.212 -7.078 1.005 1.00 0.00 C ATOM 892 NE1 TRP A 160 -0.632 -7.017 -1.159 1.00 0.00 N ATOM 893 CE2 TRP A 160 -1.643 -6.715 -0.286 1.00 0.00 C ATOM 894 CE3 TRP A 160 -2.073 -6.868 2.086 1.00 0.00 C ATOM 895 CZ2 TRP A 160 -2.896 -6.153 -0.521 1.00 0.00 C ATOM 896 CZ3 TRP A 160 -3.315 -6.311 1.851 1.00 0.00 C ATOM 897 CH2 TRP A 160 -3.718 -5.960 0.555 1.00 0.00 C ATOM 0 H TRP A 160 3.245 -7.214 1.390 1.00 0.00 H new ATOM 0 HA TRP A 160 0.985 -6.202 2.910 1.00 0.00 H new ATOM 0 HB2 TRP A 160 1.729 -8.804 1.555 1.00 0.00 H new ATOM 0 HB3 TRP A 160 0.369 -8.735 2.658 1.00 0.00 H new ATOM 0 HD1 TRP A 160 1.347 -7.891 -0.889 1.00 0.00 H new ATOM 0 HE1 TRP A 160 -0.654 -6.864 -2.167 1.00 0.00 H new ATOM 0 HE3 TRP A 160 -1.772 -7.137 3.088 1.00 0.00 H new ATOM 0 HZ2 TRP A 160 -3.207 -5.879 -1.518 1.00 0.00 H new ATOM 0 HZ3 TRP A 160 -3.987 -6.143 2.680 1.00 0.00 H new ATOM 0 HH2 TRP A 160 -4.697 -5.529 0.403 1.00 0.00 H new ATOM 908 N VAL A 161 1.316 -7.189 5.165 1.00 0.00 N ATOM 909 CA VAL A 161 1.598 -7.624 6.528 1.00 0.00 C ATOM 910 C VAL A 161 1.454 -9.135 6.664 1.00 0.00 C ATOM 911 O VAL A 161 2.257 -9.788 7.333 1.00 0.00 O ATOM 912 CB VAL A 161 0.661 -6.937 7.540 1.00 0.00 C ATOM 913 CG1 VAL A 161 0.932 -7.445 8.949 1.00 0.00 C ATOM 914 CG2 VAL A 161 0.819 -5.426 7.471 1.00 0.00 C ATOM 0 H VAL A 161 0.494 -6.592 5.074 1.00 0.00 H new ATOM 0 HA VAL A 161 2.628 -7.340 6.745 1.00 0.00 H new ATOM 0 HB VAL A 161 -0.369 -7.184 7.281 1.00 0.00 H new ATOM 0 HG11 VAL A 161 0.261 -6.949 9.650 1.00 0.00 H new ATOM 0 HG12 VAL A 161 0.764 -8.521 8.986 1.00 0.00 H new ATOM 0 HG13 VAL A 161 1.965 -7.229 9.221 1.00 0.00 H new ATOM 0 HG21 VAL A 161 0.150 -4.957 8.192 1.00 0.00 H new ATOM 0 HG22 VAL A 161 1.849 -5.157 7.703 1.00 0.00 H new ATOM 0 HG23 VAL A 161 0.571 -5.080 6.468 1.00 0.00 H new