USER MOD reduce.3.24.130724 H: found=0, std=0, add=437, rem=0, adj=7 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 133 GLN : amide:sc= 0.271 X(o=-0.77,f=-0.43) USER MOD Set 1.2: A 135 HIS : no HD1:sc= -1.04 K(o=-0.77,f=-2.9) 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 -178:sc= -0.314 (180deg=-0.319) USER MOD Single : A 122 GLN : amide:sc= -0.0346 K(o=-0.035,f=-2.2!) USER MOD Single : A 123 HIS : no HD1:sc= -3.16 K(o=-3.2,f=-5!) USER MOD Single : A 125 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 144 THR OG1 : rot 180:sc= 0 USER MOD Single : A 151 THR OG1 : rot 180:sc= 0 USER MOD Single : A 153 SER OG : rot 180:sc= 0 USER MOD Single : A 154 MET CE :methyl 146:sc= -1.18 (180deg=-4.77!) USER MOD Single : A 159 THR OG1 : rot 180:sc= -0.197 USER MOD ----------------------------------------------------------------- ATOM 66 N ARG A 109 1.430 10.086 -2.302 1.00 0.00 N ATOM 67 CA ARG A 109 0.071 9.653 -2.603 1.00 0.00 C ATOM 68 C ARG A 109 -0.446 8.698 -1.531 1.00 0.00 C ATOM 69 O ARG A 109 0.333 8.014 -0.867 1.00 0.00 O ATOM 70 CB ARG A 109 0.022 8.974 -3.973 1.00 0.00 C ATOM 71 CG ARG A 109 0.577 9.831 -5.099 1.00 0.00 C ATOM 72 CD ARG A 109 0.545 9.095 -6.428 1.00 0.00 C ATOM 73 NE ARG A 109 0.909 9.963 -7.544 1.00 0.00 N ATOM 74 CZ ARG A 109 1.198 9.514 -8.760 1.00 0.00 C ATOM 75 NH1 ARG A 109 1.164 8.214 -9.016 1.00 0.00 N ATOM 76 NH2 ARG A 109 1.520 10.367 -9.724 1.00 0.00 N ATOM 0 HA ARG A 109 -0.570 10.535 -2.618 1.00 0.00 H new ATOM 0 HB2 ARG A 109 0.584 8.041 -3.927 1.00 0.00 H new ATOM 0 HB3 ARG A 109 -1.011 8.712 -4.202 1.00 0.00 H new ATOM 0 HG2 ARG A 109 -0.003 10.751 -5.177 1.00 0.00 H new ATOM 0 HG3 ARG A 109 1.602 10.120 -4.866 1.00 0.00 H new ATOM 0 HD2 ARG A 109 1.230 8.248 -6.390 1.00 0.00 H new ATOM 0 HD3 ARG A 109 -0.453 8.691 -6.594 1.00 0.00 H new ATOM 0 HE ARG A 109 0.943 10.969 -7.381 1.00 0.00 H new ATOM 0 HH11 ARG A 109 0.915 7.555 -8.278 1.00 0.00 H new ATOM 0 HH12 ARG A 109 1.386 7.872 -9.951 1.00 0.00 H new ATOM 0 HH21 ARG A 109 1.546 11.368 -9.531 1.00 0.00 H new ATOM 0 HH22 ARG A 109 1.742 10.021 -10.658 1.00 0.00 H new ATOM 90 N ARG A 110 -1.765 8.658 -1.367 1.00 0.00 N ATOM 91 CA ARG A 110 -2.385 7.789 -0.375 1.00 0.00 C ATOM 92 C ARG A 110 -2.071 6.323 -0.664 1.00 0.00 C ATOM 93 O ARG A 110 -1.965 5.916 -1.821 1.00 0.00 O ATOM 94 CB ARG A 110 -3.900 8.003 -0.355 1.00 0.00 C ATOM 95 CG ARG A 110 -4.317 9.430 -0.667 1.00 0.00 C ATOM 96 CD ARG A 110 -5.610 9.800 0.043 1.00 0.00 C ATOM 97 NE ARG A 110 -6.135 11.086 -0.408 1.00 0.00 N ATOM 98 CZ ARG A 110 -6.754 11.260 -1.571 1.00 0.00 C ATOM 99 NH1 ARG A 110 -6.926 10.234 -2.393 1.00 0.00 N ATOM 100 NH2 ARG A 110 -7.204 12.460 -1.912 1.00 0.00 N ATOM 0 H ARG A 110 -2.424 9.217 -1.909 1.00 0.00 H new ATOM 0 HA ARG A 110 -1.976 8.044 0.602 1.00 0.00 H new ATOM 0 HB2 ARG A 110 -4.363 7.332 -1.078 1.00 0.00 H new ATOM 0 HB3 ARG A 110 -4.284 7.727 0.627 1.00 0.00 H new ATOM 0 HG2 ARG A 110 -3.526 10.116 -0.365 1.00 0.00 H new ATOM 0 HG3 ARG A 110 -4.446 9.546 -1.743 1.00 0.00 H new ATOM 0 HD2 ARG A 110 -6.354 9.023 -0.132 1.00 0.00 H new ATOM 0 HD3 ARG A 110 -5.435 9.837 1.118 1.00 0.00 H new ATOM 0 HE ARG A 110 -6.020 11.895 0.203 1.00 0.00 H new ATOM 0 HH11 ARG A 110 -6.583 9.309 -2.133 1.00 0.00 H new ATOM 0 HH12 ARG A 110 -7.401 10.369 -3.285 1.00 0.00 H new ATOM 0 HH21 ARG A 110 -7.075 13.251 -1.281 1.00 0.00 H new ATOM 0 HH22 ARG A 110 -7.679 12.592 -2.805 1.00 0.00 H new ATOM 114 N LEU A 111 -1.922 5.536 0.397 1.00 0.00 N ATOM 115 CA LEU A 111 -1.620 4.116 0.257 1.00 0.00 C ATOM 116 C LEU A 111 -2.707 3.403 -0.540 1.00 0.00 C ATOM 117 O LEU A 111 -2.432 2.556 -1.391 1.00 0.00 O ATOM 118 CB LEU A 111 -1.474 3.468 1.636 1.00 0.00 C ATOM 119 CG LEU A 111 -0.697 2.153 1.681 1.00 0.00 C ATOM 120 CD1 LEU A 111 0.756 2.379 1.289 1.00 0.00 C ATOM 121 CD2 LEU A 111 -0.787 1.527 3.065 1.00 0.00 C ATOM 0 H LEU A 111 -2.005 5.857 1.362 1.00 0.00 H new ATOM 0 HA LEU A 111 -0.679 4.022 -0.284 1.00 0.00 H new ATOM 0 HB2 LEU A 111 -0.983 4.180 2.299 1.00 0.00 H new ATOM 0 HB3 LEU A 111 -2.471 3.292 2.040 1.00 0.00 H new ATOM 0 HG LEU A 111 -1.143 1.464 0.964 1.00 0.00 H new ATOM 0 HD11 LEU A 111 1.294 1.432 1.327 1.00 0.00 H new ATOM 0 HD12 LEU A 111 0.801 2.782 0.277 1.00 0.00 H new ATOM 0 HD13 LEU A 111 1.214 3.085 1.982 1.00 0.00 H new ATOM 0 HD21 LEU A 111 -0.228 0.591 3.078 1.00 0.00 H new ATOM 0 HD22 LEU A 111 -0.367 2.211 3.802 1.00 0.00 H new ATOM 0 HD23 LEU A 111 -1.831 1.329 3.308 1.00 0.00 H new ATOM 133 N PRO A 112 -3.972 3.754 -0.262 1.00 0.00 N ATOM 134 CA PRO A 112 -5.125 3.161 -0.945 1.00 0.00 C ATOM 135 C PRO A 112 -5.028 3.285 -2.462 1.00 0.00 C ATOM 136 O PRO A 112 -5.331 2.342 -3.193 1.00 0.00 O ATOM 137 CB PRO A 112 -6.307 3.977 -0.417 1.00 0.00 C ATOM 138 CG PRO A 112 -5.852 4.493 0.905 1.00 0.00 C ATOM 139 CD PRO A 112 -4.372 4.756 0.740 1.00 0.00 C ATOM 0 HA PRO A 112 -5.207 2.091 -0.752 1.00 0.00 H new ATOM 0 HB2 PRO A 112 -6.559 4.793 -1.095 1.00 0.00 H new ATOM 0 HB3 PRO A 112 -7.200 3.360 -0.315 1.00 0.00 H new ATOM 0 HG2 PRO A 112 -6.386 5.404 1.177 1.00 0.00 H new ATOM 0 HG3 PRO A 112 -6.037 3.766 1.696 1.00 0.00 H new ATOM 0 HD2 PRO A 112 -4.178 5.772 0.396 1.00 0.00 H new ATOM 0 HD3 PRO A 112 -3.831 4.628 1.678 1.00 0.00 H new ATOM 147 N THR A 113 -4.603 4.454 -2.930 1.00 0.00 N ATOM 148 CA THR A 113 -4.465 4.702 -4.359 1.00 0.00 C ATOM 149 C THR A 113 -3.317 3.891 -4.950 1.00 0.00 C ATOM 150 O THR A 113 -3.452 3.294 -6.019 1.00 0.00 O ATOM 151 CB THR A 113 -4.226 6.195 -4.651 1.00 0.00 C ATOM 152 OG1 THR A 113 -5.272 6.981 -4.066 1.00 0.00 O ATOM 153 CG2 THR A 113 -4.170 6.452 -6.149 1.00 0.00 C ATOM 0 H THR A 113 -4.348 5.245 -2.339 1.00 0.00 H new ATOM 0 HA THR A 113 -5.402 4.394 -4.824 1.00 0.00 H new ATOM 0 HB THR A 113 -3.269 6.480 -4.214 1.00 0.00 H new ATOM 0 HG1 THR A 113 -5.113 7.929 -4.254 1.00 0.00 H new ATOM 0 HG21 THR A 113 -4.000 7.513 -6.330 1.00 0.00 H new ATOM 0 HG22 THR A 113 -3.356 5.875 -6.587 1.00 0.00 H new ATOM 0 HG23 THR A 113 -5.114 6.152 -6.605 1.00 0.00 H new ATOM 161 N VAL A 114 -2.189 3.872 -4.248 1.00 0.00 N ATOM 162 CA VAL A 114 -1.019 3.132 -4.702 1.00 0.00 C ATOM 163 C VAL A 114 -1.317 1.640 -4.806 1.00 0.00 C ATOM 164 O VAL A 114 -0.805 0.953 -5.691 1.00 0.00 O ATOM 165 CB VAL A 114 0.179 3.339 -3.756 1.00 0.00 C ATOM 166 CG1 VAL A 114 1.385 2.550 -4.240 1.00 0.00 C ATOM 167 CG2 VAL A 114 0.512 4.819 -3.637 1.00 0.00 C ATOM 0 H VAL A 114 -2.061 4.361 -3.362 1.00 0.00 H new ATOM 0 HA VAL A 114 -0.765 3.519 -5.689 1.00 0.00 H new ATOM 0 HB VAL A 114 -0.092 2.969 -2.767 1.00 0.00 H new ATOM 0 HG11 VAL A 114 2.221 2.709 -3.559 1.00 0.00 H new ATOM 0 HG12 VAL A 114 1.138 1.489 -4.269 1.00 0.00 H new ATOM 0 HG13 VAL A 114 1.662 2.886 -5.239 1.00 0.00 H new ATOM 0 HG21 VAL A 114 1.361 4.948 -2.965 1.00 0.00 H new ATOM 0 HG22 VAL A 114 0.764 5.215 -4.621 1.00 0.00 H new ATOM 0 HG23 VAL A 114 -0.350 5.355 -3.240 1.00 0.00 H new ATOM 177 N LEU A 115 -2.149 1.144 -3.896 1.00 0.00 N ATOM 178 CA LEU A 115 -2.517 -0.268 -3.885 1.00 0.00 C ATOM 179 C LEU A 115 -3.412 -0.605 -5.073 1.00 0.00 C ATOM 180 O LEU A 115 -3.222 -1.626 -5.737 1.00 0.00 O ATOM 181 CB LEU A 115 -3.229 -0.619 -2.578 1.00 0.00 C ATOM 182 CG LEU A 115 -2.327 -0.966 -1.394 1.00 0.00 C ATOM 183 CD1 LEU A 115 -3.082 -0.811 -0.083 1.00 0.00 C ATOM 184 CD2 LEU A 115 -1.784 -2.380 -1.535 1.00 0.00 C ATOM 0 H LEU A 115 -2.581 1.698 -3.157 1.00 0.00 H new ATOM 0 HA LEU A 115 -1.604 -0.858 -3.963 1.00 0.00 H new ATOM 0 HB2 LEU A 115 -3.860 0.223 -2.294 1.00 0.00 H new ATOM 0 HB3 LEU A 115 -3.891 -1.464 -2.764 1.00 0.00 H new ATOM 0 HG LEU A 115 -1.485 -0.273 -1.388 1.00 0.00 H new ATOM 0 HD11 LEU A 115 -2.423 -1.062 0.748 1.00 0.00 H new ATOM 0 HD12 LEU A 115 -3.421 0.220 0.022 1.00 0.00 H new ATOM 0 HD13 LEU A 115 -3.943 -1.479 -0.078 1.00 0.00 H new ATOM 0 HD21 LEU A 115 -1.144 -2.610 -0.683 1.00 0.00 H new ATOM 0 HD22 LEU A 115 -2.613 -3.087 -1.567 1.00 0.00 H new ATOM 0 HD23 LEU A 115 -1.205 -2.457 -2.455 1.00 0.00 H new ATOM 196 N LEU A 116 -4.388 0.256 -5.336 1.00 0.00 N ATOM 197 CA LEU A 116 -5.312 0.051 -6.446 1.00 0.00 C ATOM 198 C LEU A 116 -4.567 0.020 -7.777 1.00 0.00 C ATOM 199 O LEU A 116 -4.825 -0.835 -8.625 1.00 0.00 O ATOM 200 CB LEU A 116 -6.370 1.156 -6.466 1.00 0.00 C ATOM 201 CG LEU A 116 -7.412 1.109 -5.348 1.00 0.00 C ATOM 202 CD1 LEU A 116 -8.322 2.324 -5.415 1.00 0.00 C ATOM 203 CD2 LEU A 116 -8.226 -0.175 -5.432 1.00 0.00 C ATOM 0 H LEU A 116 -4.560 1.104 -4.795 1.00 0.00 H new ATOM 0 HA LEU A 116 -5.804 -0.911 -6.304 1.00 0.00 H new ATOM 0 HB2 LEU A 116 -5.861 2.119 -6.421 1.00 0.00 H new ATOM 0 HB3 LEU A 116 -6.891 1.115 -7.423 1.00 0.00 H new ATOM 0 HG LEU A 116 -6.891 1.124 -4.391 1.00 0.00 H new ATOM 0 HD11 LEU A 116 -9.057 2.273 -4.612 1.00 0.00 H new ATOM 0 HD12 LEU A 116 -7.727 3.231 -5.305 1.00 0.00 H new ATOM 0 HD13 LEU A 116 -8.836 2.341 -6.376 1.00 0.00 H new ATOM 0 HD21 LEU A 116 -8.963 -0.192 -4.629 1.00 0.00 H new ATOM 0 HD22 LEU A 116 -8.737 -0.220 -6.394 1.00 0.00 H new ATOM 0 HD23 LEU A 116 -7.562 -1.034 -5.333 1.00 0.00 H new ATOM 215 N LYS A 117 -3.641 0.956 -7.952 1.00 0.00 N ATOM 216 CA LYS A 117 -2.854 1.034 -9.178 1.00 0.00 C ATOM 217 C LYS A 117 -1.852 -0.112 -9.256 1.00 0.00 C ATOM 218 O LYS A 117 -1.574 -0.634 -10.336 1.00 0.00 O ATOM 219 CB LYS A 117 -2.119 2.375 -9.251 1.00 0.00 C ATOM 220 CG LYS A 117 -1.129 2.463 -10.398 1.00 0.00 C ATOM 221 CD LYS A 117 0.248 1.970 -9.986 1.00 0.00 C ATOM 222 CE LYS A 117 1.342 2.586 -10.846 1.00 0.00 C ATOM 223 NZ LYS A 117 2.680 2.015 -10.533 1.00 0.00 N ATOM 0 H LYS A 117 -3.417 1.672 -7.261 1.00 0.00 H new ATOM 0 HA LYS A 117 -3.536 0.953 -10.024 1.00 0.00 H new ATOM 0 HB2 LYS A 117 -2.851 3.176 -9.352 1.00 0.00 H new ATOM 0 HB3 LYS A 117 -1.591 2.542 -8.312 1.00 0.00 H new ATOM 0 HG2 LYS A 117 -1.492 1.872 -11.239 1.00 0.00 H new ATOM 0 HG3 LYS A 117 -1.059 3.495 -10.741 1.00 0.00 H new ATOM 0 HD2 LYS A 117 0.425 2.216 -8.939 1.00 0.00 H new ATOM 0 HD3 LYS A 117 0.287 0.884 -10.069 1.00 0.00 H new ATOM 0 HE2 LYS A 117 1.113 2.420 -11.899 1.00 0.00 H new ATOM 0 HE3 LYS A 117 1.362 3.665 -10.691 1.00 0.00 H new ATOM 0 HZ1 LYS A 117 3.398 2.460 -11.140 1.00 0.00 H new ATOM 0 HZ2 LYS A 117 2.910 2.196 -9.535 1.00 0.00 H new ATOM 0 HZ3 LYS A 117 2.669 0.989 -10.705 1.00 0.00 H new ATOM 237 N LEU A 118 -1.314 -0.500 -8.105 1.00 0.00 N ATOM 238 CA LEU A 118 -0.343 -1.588 -8.043 1.00 0.00 C ATOM 239 C LEU A 118 -1.040 -2.944 -8.083 1.00 0.00 C ATOM 240 O LEU A 118 -0.429 -3.975 -7.802 1.00 0.00 O ATOM 241 CB LEU A 118 0.501 -1.472 -6.772 1.00 0.00 C ATOM 242 CG LEU A 118 1.698 -0.524 -6.844 1.00 0.00 C ATOM 243 CD1 LEU A 118 2.535 -0.624 -5.580 1.00 0.00 C ATOM 244 CD2 LEU A 118 2.544 -0.825 -8.073 1.00 0.00 C ATOM 0 H LEU A 118 -1.533 -0.078 -7.203 1.00 0.00 H new ATOM 0 HA LEU A 118 0.309 -1.510 -8.913 1.00 0.00 H new ATOM 0 HB2 LEU A 118 -0.147 -1.145 -5.959 1.00 0.00 H new ATOM 0 HB3 LEU A 118 0.865 -2.465 -6.510 1.00 0.00 H new ATOM 0 HG LEU A 118 1.324 0.497 -6.927 1.00 0.00 H new ATOM 0 HD11 LEU A 118 3.382 0.058 -5.650 1.00 0.00 H new ATOM 0 HD12 LEU A 118 1.925 -0.357 -4.717 1.00 0.00 H new ATOM 0 HD13 LEU A 118 2.899 -1.645 -5.465 1.00 0.00 H new ATOM 0 HD21 LEU A 118 3.392 -0.140 -8.108 1.00 0.00 H new ATOM 0 HD22 LEU A 118 2.908 -1.851 -8.022 1.00 0.00 H new ATOM 0 HD23 LEU A 118 1.939 -0.699 -8.971 1.00 0.00 H new ATOM 256 N ARG A 119 -2.321 -2.934 -8.436 1.00 0.00 N ATOM 257 CA ARG A 119 -3.101 -4.163 -8.515 1.00 0.00 C ATOM 258 C ARG A 119 -2.978 -4.968 -7.223 1.00 0.00 C ATOM 259 O ARG A 119 -3.150 -6.187 -7.221 1.00 0.00 O ATOM 260 CB ARG A 119 -2.640 -5.010 -9.702 1.00 0.00 C ATOM 261 CG ARG A 119 -3.215 -4.555 -11.033 1.00 0.00 C ATOM 262 CD ARG A 119 -4.679 -4.944 -11.172 1.00 0.00 C ATOM 263 NE ARG A 119 -5.130 -4.894 -12.560 1.00 0.00 N ATOM 264 CZ ARG A 119 -6.156 -5.596 -13.025 1.00 0.00 C ATOM 265 NH1 ARG A 119 -6.836 -6.398 -12.218 1.00 0.00 N ATOM 266 NH2 ARG A 119 -6.506 -5.497 -14.301 1.00 0.00 N ATOM 0 H ARG A 119 -2.841 -2.089 -8.672 1.00 0.00 H new ATOM 0 HA ARG A 119 -4.147 -3.892 -8.656 1.00 0.00 H new ATOM 0 HB2 ARG A 119 -1.552 -4.982 -9.757 1.00 0.00 H new ATOM 0 HB3 ARG A 119 -2.924 -6.048 -9.529 1.00 0.00 H new ATOM 0 HG2 ARG A 119 -3.115 -3.473 -11.123 1.00 0.00 H new ATOM 0 HG3 ARG A 119 -2.641 -4.997 -11.848 1.00 0.00 H new ATOM 0 HD2 ARG A 119 -4.825 -5.950 -10.780 1.00 0.00 H new ATOM 0 HD3 ARG A 119 -5.291 -4.274 -10.568 1.00 0.00 H new ATOM 0 HE ARG A 119 -4.629 -4.286 -13.208 1.00 0.00 H new ATOM 0 HH11 ARG A 119 -6.571 -6.477 -11.236 1.00 0.00 H new ATOM 0 HH12 ARG A 119 -7.624 -6.936 -12.579 1.00 0.00 H new ATOM 0 HH21 ARG A 119 -5.986 -4.881 -14.926 1.00 0.00 H new ATOM 0 HH22 ARG A 119 -7.295 -6.037 -14.657 1.00 0.00 H new ATOM 280 N MET A 120 -2.678 -4.279 -6.128 1.00 0.00 N ATOM 281 CA MET A 120 -2.532 -4.929 -4.831 1.00 0.00 C ATOM 282 C MET A 120 -3.895 -5.191 -4.199 1.00 0.00 C ATOM 283 O MET A 120 -4.117 -6.240 -3.593 1.00 0.00 O ATOM 284 CB MET A 120 -1.680 -4.068 -3.897 1.00 0.00 C ATOM 285 CG MET A 120 -0.222 -3.976 -4.317 1.00 0.00 C ATOM 286 SD MET A 120 0.794 -5.276 -3.588 1.00 0.00 S ATOM 287 CE MET A 120 1.201 -4.539 -2.006 1.00 0.00 C ATOM 0 H MET A 120 -2.531 -3.270 -6.113 1.00 0.00 H new ATOM 0 HA MET A 120 -2.033 -5.885 -4.986 1.00 0.00 H new ATOM 0 HB2 MET A 120 -2.102 -3.064 -3.856 1.00 0.00 H new ATOM 0 HB3 MET A 120 -1.734 -4.478 -2.888 1.00 0.00 H new ATOM 0 HG2 MET A 120 -0.156 -4.035 -5.403 1.00 0.00 H new ATOM 0 HG3 MET A 120 0.175 -3.004 -4.026 1.00 0.00 H new ATOM 0 HE1 MET A 120 1.857 -5.209 -1.451 1.00 0.00 H new ATOM 0 HE2 MET A 120 1.707 -3.587 -2.167 1.00 0.00 H new ATOM 0 HE3 MET A 120 0.287 -4.372 -1.436 1.00 0.00 H new ATOM 297 N ALA A 121 -4.803 -4.232 -4.342 1.00 0.00 N ATOM 298 CA ALA A 121 -6.144 -4.360 -3.786 1.00 0.00 C ATOM 299 C ALA A 121 -7.184 -4.513 -4.890 1.00 0.00 C ATOM 300 O ALA A 121 -6.844 -4.566 -6.071 1.00 0.00 O ATOM 301 CB ALA A 121 -6.472 -3.158 -2.912 1.00 0.00 C ATOM 0 H ALA A 121 -4.634 -3.357 -4.839 1.00 0.00 H new ATOM 0 HA ALA A 121 -6.170 -5.260 -3.171 1.00 0.00 H new ATOM 0 HB1 ALA A 121 -7.477 -3.268 -2.504 1.00 0.00 H new ATOM 0 HB2 ALA A 121 -5.753 -3.095 -2.095 1.00 0.00 H new ATOM 0 HB3 ALA A 121 -6.421 -2.248 -3.510 1.00 0.00 H new ATOM 307 N GLN A 122 -8.452 -4.584 -4.496 1.00 0.00 N ATOM 308 CA GLN A 122 -9.542 -4.732 -5.455 1.00 0.00 C ATOM 309 C GLN A 122 -10.168 -3.380 -5.780 1.00 0.00 C ATOM 310 O GLN A 122 -10.054 -2.885 -6.901 1.00 0.00 O ATOM 311 CB GLN A 122 -10.606 -5.683 -4.905 1.00 0.00 C ATOM 312 CG GLN A 122 -11.561 -6.207 -5.966 1.00 0.00 C ATOM 313 CD GLN A 122 -11.012 -7.414 -6.700 1.00 0.00 C ATOM 314 OE1 GLN A 122 -9.908 -7.374 -7.246 1.00 0.00 O ATOM 315 NE2 GLN A 122 -11.781 -8.496 -6.718 1.00 0.00 N ATOM 0 H GLN A 122 -8.750 -4.542 -3.521 1.00 0.00 H new ATOM 0 HA GLN A 122 -9.131 -5.151 -6.374 1.00 0.00 H new ATOM 0 HB2 GLN A 122 -10.113 -6.527 -4.423 1.00 0.00 H new ATOM 0 HB3 GLN A 122 -11.179 -5.167 -4.135 1.00 0.00 H new ATOM 0 HG2 GLN A 122 -12.509 -6.472 -5.497 1.00 0.00 H new ATOM 0 HG3 GLN A 122 -11.771 -5.414 -6.684 1.00 0.00 H new ATOM 0 HE21 GLN A 122 -12.688 -8.485 -6.252 1.00 0.00 H new ATOM 0 HE22 GLN A 122 -11.464 -9.339 -7.197 1.00 0.00 H new ATOM 324 N HIS A 123 -10.833 -2.788 -4.791 1.00 0.00 N ATOM 325 CA HIS A 123 -11.479 -1.493 -4.973 1.00 0.00 C ATOM 326 C HIS A 123 -11.005 -0.498 -3.917 1.00 0.00 C ATOM 327 O HIS A 123 -10.151 -0.816 -3.089 1.00 0.00 O ATOM 328 CB HIS A 123 -12.999 -1.644 -4.903 1.00 0.00 C ATOM 329 CG HIS A 123 -13.461 -2.558 -3.810 1.00 0.00 C ATOM 330 ND1 HIS A 123 -13.988 -2.102 -2.620 1.00 0.00 N ATOM 331 CD2 HIS A 123 -13.474 -3.909 -3.732 1.00 0.00 C ATOM 332 CE1 HIS A 123 -14.305 -3.133 -1.858 1.00 0.00 C ATOM 333 NE2 HIS A 123 -14.002 -4.241 -2.509 1.00 0.00 N ATOM 0 H HIS A 123 -10.938 -3.185 -3.857 1.00 0.00 H new ATOM 0 HA HIS A 123 -11.205 -1.111 -5.956 1.00 0.00 H new ATOM 0 HB2 HIS A 123 -13.447 -0.661 -4.757 1.00 0.00 H new ATOM 0 HB3 HIS A 123 -13.363 -2.021 -5.859 1.00 0.00 H new ATOM 0 HD2 HIS A 123 -13.133 -4.598 -4.491 1.00 0.00 H new ATOM 0 HE1 HIS A 123 -14.738 -3.079 -0.870 1.00 0.00 H new ATOM 0 HE2 HIS A 123 -14.138 -5.190 -2.160 1.00 0.00 H new ATOM 341 N LEU A 124 -11.564 0.706 -3.954 1.00 0.00 N ATOM 342 CA LEU A 124 -11.199 1.748 -3.001 1.00 0.00 C ATOM 343 C LEU A 124 -11.532 1.324 -1.574 1.00 0.00 C ATOM 344 O LEU A 124 -10.697 1.424 -0.676 1.00 0.00 O ATOM 345 CB LEU A 124 -11.923 3.053 -3.340 1.00 0.00 C ATOM 346 CG LEU A 124 -11.584 4.256 -2.460 1.00 0.00 C ATOM 347 CD1 LEU A 124 -10.107 4.604 -2.576 1.00 0.00 C ATOM 348 CD2 LEU A 124 -12.447 5.452 -2.836 1.00 0.00 C ATOM 0 H LEU A 124 -12.272 0.985 -4.633 1.00 0.00 H new ATOM 0 HA LEU A 124 -10.123 1.908 -3.070 1.00 0.00 H new ATOM 0 HB2 LEU A 124 -11.699 3.311 -4.375 1.00 0.00 H new ATOM 0 HB3 LEU A 124 -12.997 2.876 -3.280 1.00 0.00 H new ATOM 0 HG LEU A 124 -11.794 3.994 -1.423 1.00 0.00 H new ATOM 0 HD11 LEU A 124 -9.885 5.463 -1.943 1.00 0.00 H new ATOM 0 HD12 LEU A 124 -9.506 3.752 -2.257 1.00 0.00 H new ATOM 0 HD13 LEU A 124 -9.871 4.847 -3.612 1.00 0.00 H new ATOM 0 HD21 LEU A 124 -12.192 6.299 -2.199 1.00 0.00 H new ATOM 0 HD22 LEU A 124 -12.269 5.715 -3.879 1.00 0.00 H new ATOM 0 HD23 LEU A 124 -13.498 5.199 -2.700 1.00 0.00 H new ATOM 360 N GLN A 125 -12.757 0.849 -1.375 1.00 0.00 N ATOM 361 CA GLN A 125 -13.200 0.407 -0.058 1.00 0.00 C ATOM 362 C GLN A 125 -12.309 -0.712 0.469 1.00 0.00 C ATOM 363 O GLN A 125 -12.034 -0.789 1.665 1.00 0.00 O ATOM 364 CB GLN A 125 -14.654 -0.066 -0.118 1.00 0.00 C ATOM 365 CG GLN A 125 -15.411 0.129 1.186 1.00 0.00 C ATOM 366 CD GLN A 125 -16.711 -0.651 1.229 1.00 0.00 C ATOM 367 OE1 GLN A 125 -16.778 -1.734 1.810 1.00 0.00 O ATOM 368 NE2 GLN A 125 -17.750 -0.103 0.611 1.00 0.00 N ATOM 0 H GLN A 125 -13.460 0.760 -2.109 1.00 0.00 H new ATOM 0 HA GLN A 125 -13.129 1.254 0.625 1.00 0.00 H new ATOM 0 HB2 GLN A 125 -15.170 0.473 -0.912 1.00 0.00 H new ATOM 0 HB3 GLN A 125 -14.673 -1.123 -0.385 1.00 0.00 H new ATOM 0 HG2 GLN A 125 -14.779 -0.180 2.018 1.00 0.00 H new ATOM 0 HG3 GLN A 125 -15.623 1.189 1.323 1.00 0.00 H new ATOM 0 HE21 GLN A 125 -17.648 0.797 0.142 1.00 0.00 H new ATOM 0 HE22 GLN A 125 -18.651 -0.582 0.605 1.00 0.00 H new ATOM 377 N ALA A 126 -11.862 -1.581 -0.434 1.00 0.00 N ATOM 378 CA ALA A 126 -11.001 -2.695 -0.059 1.00 0.00 C ATOM 379 C ALA A 126 -9.630 -2.204 0.390 1.00 0.00 C ATOM 380 O ALA A 126 -9.126 -2.611 1.436 1.00 0.00 O ATOM 381 CB ALA A 126 -10.861 -3.667 -1.222 1.00 0.00 C ATOM 0 H ALA A 126 -12.082 -1.534 -1.429 1.00 0.00 H new ATOM 0 HA ALA A 126 -11.464 -3.213 0.781 1.00 0.00 H new ATOM 0 HB1 ALA A 126 -10.215 -4.495 -0.929 1.00 0.00 H new ATOM 0 HB2 ALA A 126 -11.844 -4.052 -1.494 1.00 0.00 H new ATOM 0 HB3 ALA A 126 -10.424 -3.151 -2.077 1.00 0.00 H new ATOM 387 N ALA A 127 -9.030 -1.326 -0.408 1.00 0.00 N ATOM 388 CA ALA A 127 -7.717 -0.778 -0.091 1.00 0.00 C ATOM 389 C ALA A 127 -7.738 -0.043 1.246 1.00 0.00 C ATOM 390 O ALA A 127 -6.822 -0.183 2.056 1.00 0.00 O ATOM 391 CB ALA A 127 -7.252 0.153 -1.201 1.00 0.00 C ATOM 0 H ALA A 127 -9.433 -0.979 -1.279 1.00 0.00 H new ATOM 0 HA ALA A 127 -7.014 -1.607 -0.009 1.00 0.00 H new ATOM 0 HB1 ALA A 127 -6.270 0.555 -0.951 1.00 0.00 H new ATOM 0 HB2 ALA A 127 -7.190 -0.401 -2.138 1.00 0.00 H new ATOM 0 HB3 ALA A 127 -7.963 0.972 -1.310 1.00 0.00 H new ATOM 397 N VAL A 128 -8.787 0.742 1.468 1.00 0.00 N ATOM 398 CA VAL A 128 -8.926 1.499 2.706 1.00 0.00 C ATOM 399 C VAL A 128 -9.106 0.570 3.901 1.00 0.00 C ATOM 400 O VAL A 128 -8.479 0.754 4.944 1.00 0.00 O ATOM 401 CB VAL A 128 -10.121 2.469 2.639 1.00 0.00 C ATOM 402 CG1 VAL A 128 -10.344 3.135 3.988 1.00 0.00 C ATOM 403 CG2 VAL A 128 -9.902 3.509 1.552 1.00 0.00 C ATOM 0 H VAL A 128 -9.553 0.870 0.807 1.00 0.00 H new ATOM 0 HA VAL A 128 -8.008 2.073 2.831 1.00 0.00 H new ATOM 0 HB VAL A 128 -11.016 1.899 2.390 1.00 0.00 H new ATOM 0 HG11 VAL A 128 -11.192 3.817 3.922 1.00 0.00 H new ATOM 0 HG12 VAL A 128 -10.549 2.373 4.740 1.00 0.00 H new ATOM 0 HG13 VAL A 128 -9.451 3.693 4.270 1.00 0.00 H new ATOM 0 HG21 VAL A 128 -10.756 4.186 1.519 1.00 0.00 H new ATOM 0 HG22 VAL A 128 -8.997 4.077 1.769 1.00 0.00 H new ATOM 0 HG23 VAL A 128 -9.796 3.011 0.588 1.00 0.00 H new ATOM 413 N ALA A 129 -9.967 -0.430 3.743 1.00 0.00 N ATOM 414 CA ALA A 129 -10.228 -1.390 4.807 1.00 0.00 C ATOM 415 C ALA A 129 -8.962 -2.153 5.180 1.00 0.00 C ATOM 416 O ALA A 129 -8.659 -2.333 6.360 1.00 0.00 O ATOM 417 CB ALA A 129 -11.325 -2.357 4.389 1.00 0.00 C ATOM 0 H ALA A 129 -10.496 -0.596 2.887 1.00 0.00 H new ATOM 0 HA ALA A 129 -10.561 -0.838 5.686 1.00 0.00 H new ATOM 0 HB1 ALA A 129 -11.509 -3.068 5.194 1.00 0.00 H new ATOM 0 HB2 ALA A 129 -12.239 -1.802 4.179 1.00 0.00 H new ATOM 0 HB3 ALA A 129 -11.014 -2.895 3.493 1.00 0.00 H new ATOM 423 N PHE A 130 -8.227 -2.601 4.168 1.00 0.00 N ATOM 424 CA PHE A 130 -6.993 -3.347 4.391 1.00 0.00 C ATOM 425 C PHE A 130 -5.995 -2.520 5.197 1.00 0.00 C ATOM 426 O PHE A 130 -5.358 -3.023 6.121 1.00 0.00 O ATOM 427 CB PHE A 130 -6.372 -3.757 3.054 1.00 0.00 C ATOM 428 CG PHE A 130 -7.036 -4.948 2.425 1.00 0.00 C ATOM 429 CD1 PHE A 130 -7.232 -6.112 3.150 1.00 0.00 C ATOM 430 CD2 PHE A 130 -7.464 -4.902 1.107 1.00 0.00 C ATOM 431 CE1 PHE A 130 -7.844 -7.209 2.573 1.00 0.00 C ATOM 432 CE2 PHE A 130 -8.077 -5.997 0.526 1.00 0.00 C ATOM 433 CZ PHE A 130 -8.265 -7.151 1.259 1.00 0.00 C ATOM 0 H PHE A 130 -8.464 -2.461 3.186 1.00 0.00 H new ATOM 0 HA PHE A 130 -7.237 -4.244 4.960 1.00 0.00 H new ATOM 0 HB2 PHE A 130 -6.426 -2.915 2.364 1.00 0.00 H new ATOM 0 HB3 PHE A 130 -5.316 -3.978 3.206 1.00 0.00 H new ATOM 0 HD1 PHE A 130 -6.903 -6.163 4.177 1.00 0.00 H new ATOM 0 HD2 PHE A 130 -7.317 -4.002 0.528 1.00 0.00 H new ATOM 0 HE1 PHE A 130 -7.993 -8.110 3.149 1.00 0.00 H new ATOM 0 HE2 PHE A 130 -8.408 -5.949 -0.501 1.00 0.00 H new ATOM 0 HZ PHE A 130 -8.741 -8.008 0.806 1.00 0.00 H new ATOM 443 N VAL A 131 -5.865 -1.246 4.837 1.00 0.00 N ATOM 444 CA VAL A 131 -4.945 -0.348 5.525 1.00 0.00 C ATOM 445 C VAL A 131 -5.370 -0.132 6.973 1.00 0.00 C ATOM 446 O VAL A 131 -4.536 -0.114 7.879 1.00 0.00 O ATOM 447 CB VAL A 131 -4.860 1.017 4.818 1.00 0.00 C ATOM 448 CG1 VAL A 131 -3.940 1.958 5.581 1.00 0.00 C ATOM 449 CG2 VAL A 131 -4.387 0.844 3.383 1.00 0.00 C ATOM 0 H VAL A 131 -6.385 -0.813 4.073 1.00 0.00 H new ATOM 0 HA VAL A 131 -3.964 -0.822 5.503 1.00 0.00 H new ATOM 0 HB VAL A 131 -5.856 1.459 4.798 1.00 0.00 H new ATOM 0 HG11 VAL A 131 -3.893 2.917 5.066 1.00 0.00 H new ATOM 0 HG12 VAL A 131 -4.326 2.106 6.589 1.00 0.00 H new ATOM 0 HG13 VAL A 131 -2.941 1.526 5.635 1.00 0.00 H new ATOM 0 HG21 VAL A 131 -4.333 1.819 2.898 1.00 0.00 H new ATOM 0 HG22 VAL A 131 -3.400 0.381 3.378 1.00 0.00 H new ATOM 0 HG23 VAL A 131 -5.089 0.208 2.843 1.00 0.00 H new ATOM 459 N GLU A 132 -6.673 0.032 7.185 1.00 0.00 N ATOM 460 CA GLU A 132 -7.207 0.247 8.524 1.00 0.00 C ATOM 461 C GLU A 132 -7.025 -0.997 9.389 1.00 0.00 C ATOM 462 O GLU A 132 -6.763 -0.898 10.588 1.00 0.00 O ATOM 463 CB GLU A 132 -8.689 0.620 8.453 1.00 0.00 C ATOM 464 CG GLU A 132 -8.939 2.020 7.917 1.00 0.00 C ATOM 465 CD GLU A 132 -10.416 2.348 7.809 1.00 0.00 C ATOM 466 OE1 GLU A 132 -11.218 1.714 8.525 1.00 0.00 O ATOM 467 OE2 GLU A 132 -10.768 3.240 7.009 1.00 0.00 O ATOM 0 H GLU A 132 -7.377 0.020 6.447 1.00 0.00 H new ATOM 0 HA GLU A 132 -6.655 1.069 8.979 1.00 0.00 H new ATOM 0 HB2 GLU A 132 -9.206 -0.100 7.819 1.00 0.00 H new ATOM 0 HB3 GLU A 132 -9.124 0.538 9.449 1.00 0.00 H new ATOM 0 HG2 GLU A 132 -8.456 2.747 8.570 1.00 0.00 H new ATOM 0 HG3 GLU A 132 -8.476 2.117 6.935 1.00 0.00 H new ATOM 474 N GLN A 133 -7.167 -2.165 8.772 1.00 0.00 N ATOM 475 CA GLN A 133 -7.020 -3.428 9.485 1.00 0.00 C ATOM 476 C GLN A 133 -5.552 -3.824 9.594 1.00 0.00 C ATOM 477 O GLN A 133 -5.227 -4.992 9.807 1.00 0.00 O ATOM 478 CB GLN A 133 -7.807 -4.533 8.778 1.00 0.00 C ATOM 479 CG GLN A 133 -9.315 -4.374 8.893 1.00 0.00 C ATOM 480 CD GLN A 133 -10.074 -5.411 8.088 1.00 0.00 C ATOM 481 OE1 GLN A 133 -9.556 -6.491 7.802 1.00 0.00 O ATOM 482 NE2 GLN A 133 -11.308 -5.087 7.720 1.00 0.00 N ATOM 0 H GLN A 133 -7.384 -2.263 7.780 1.00 0.00 H new ATOM 0 HA GLN A 133 -7.418 -3.296 10.491 1.00 0.00 H new ATOM 0 HB2 GLN A 133 -7.531 -4.547 7.724 1.00 0.00 H new ATOM 0 HB3 GLN A 133 -7.519 -5.498 9.196 1.00 0.00 H new ATOM 0 HG2 GLN A 133 -9.606 -4.449 9.941 1.00 0.00 H new ATOM 0 HG3 GLN A 133 -9.598 -3.378 8.554 1.00 0.00 H new ATOM 0 HE21 GLN A 133 -11.696 -4.180 7.980 1.00 0.00 H new ATOM 0 HE22 GLN A 133 -11.868 -5.745 7.178 1.00 0.00 H new ATOM 491 N GLY A 134 -4.666 -2.843 9.447 1.00 0.00 N ATOM 492 CA GLY A 134 -3.242 -3.110 9.531 1.00 0.00 C ATOM 493 C GLY A 134 -2.838 -4.352 8.761 1.00 0.00 C ATOM 494 O GLY A 134 -2.135 -5.215 9.286 1.00 0.00 O ATOM 0 H GLY A 134 -4.909 -1.868 9.271 1.00 0.00 H new ATOM 0 HA2 GLY A 134 -2.691 -2.252 9.145 1.00 0.00 H new ATOM 0 HA3 GLY A 134 -2.958 -3.227 10.577 1.00 0.00 H new ATOM 498 N HIS A 135 -3.285 -4.443 7.512 1.00 0.00 N ATOM 499 CA HIS A 135 -2.966 -5.590 6.669 1.00 0.00 C ATOM 500 C HIS A 135 -1.767 -5.291 5.775 1.00 0.00 C ATOM 501 O HIS A 135 -1.098 -6.203 5.289 1.00 0.00 O ATOM 502 CB HIS A 135 -4.174 -5.970 5.811 1.00 0.00 C ATOM 503 CG HIS A 135 -5.190 -6.794 6.540 1.00 0.00 C ATOM 504 ND1 HIS A 135 -4.864 -7.916 7.272 1.00 0.00 N ATOM 505 CD2 HIS A 135 -6.532 -6.654 6.648 1.00 0.00 C ATOM 506 CE1 HIS A 135 -5.962 -8.431 7.796 1.00 0.00 C ATOM 507 NE2 HIS A 135 -6.988 -7.684 7.433 1.00 0.00 N ATOM 0 H HIS A 135 -3.868 -3.737 7.062 1.00 0.00 H new ATOM 0 HA HIS A 135 -2.712 -6.428 7.319 1.00 0.00 H new ATOM 0 HB2 HIS A 135 -4.650 -5.060 5.445 1.00 0.00 H new ATOM 0 HB3 HIS A 135 -3.829 -6.523 4.937 1.00 0.00 H new ATOM 0 HD2 HIS A 135 -7.133 -5.876 6.200 1.00 0.00 H new ATOM 0 HE1 HIS A 135 -6.012 -9.314 8.416 1.00 0.00 H new ATOM 0 HE2 HIS A 135 -7.961 -7.846 7.693 1.00 0.00 H new ATOM 515 N VAL A 136 -1.501 -4.006 5.561 1.00 0.00 N ATOM 516 CA VAL A 136 -0.382 -3.585 4.726 1.00 0.00 C ATOM 517 C VAL A 136 0.522 -2.608 5.469 1.00 0.00 C ATOM 518 O VAL A 136 0.047 -1.751 6.214 1.00 0.00 O ATOM 519 CB VAL A 136 -0.870 -2.926 3.423 1.00 0.00 C ATOM 520 CG1 VAL A 136 0.273 -2.794 2.429 1.00 0.00 C ATOM 521 CG2 VAL A 136 -2.021 -3.721 2.822 1.00 0.00 C ATOM 0 H VAL A 136 -2.045 -3.238 5.955 1.00 0.00 H new ATOM 0 HA VAL A 136 0.184 -4.484 4.480 1.00 0.00 H new ATOM 0 HB VAL A 136 -1.233 -1.925 3.657 1.00 0.00 H new ATOM 0 HG11 VAL A 136 -0.092 -2.326 1.515 1.00 0.00 H new ATOM 0 HG12 VAL A 136 1.062 -2.179 2.861 1.00 0.00 H new ATOM 0 HG13 VAL A 136 0.670 -3.782 2.197 1.00 0.00 H new ATOM 0 HG21 VAL A 136 -2.353 -3.241 1.902 1.00 0.00 H new ATOM 0 HG22 VAL A 136 -1.687 -4.735 2.602 1.00 0.00 H new ATOM 0 HG23 VAL A 136 -2.848 -3.757 3.531 1.00 0.00 H new ATOM 531 N ARG A 137 1.827 -2.744 5.261 1.00 0.00 N ATOM 532 CA ARG A 137 2.799 -1.872 5.912 1.00 0.00 C ATOM 533 C ARG A 137 3.760 -1.271 4.891 1.00 0.00 C ATOM 534 O ARG A 137 3.936 -1.808 3.797 1.00 0.00 O ATOM 535 CB ARG A 137 3.584 -2.650 6.970 1.00 0.00 C ATOM 536 CG ARG A 137 4.446 -3.762 6.395 1.00 0.00 C ATOM 537 CD ARG A 137 5.685 -4.002 7.243 1.00 0.00 C ATOM 538 NE ARG A 137 6.177 -5.372 7.119 1.00 0.00 N ATOM 539 CZ ARG A 137 5.646 -6.405 7.762 1.00 0.00 C ATOM 540 NH1 ARG A 137 4.611 -6.226 8.572 1.00 0.00 N ATOM 541 NH2 ARG A 137 6.149 -7.621 7.596 1.00 0.00 N ATOM 0 H ARG A 137 2.236 -3.449 4.648 1.00 0.00 H new ATOM 0 HA ARG A 137 2.255 -1.060 6.395 1.00 0.00 H new ATOM 0 HB2 ARG A 137 4.220 -1.957 7.521 1.00 0.00 H new ATOM 0 HB3 ARG A 137 2.884 -3.079 7.687 1.00 0.00 H new ATOM 0 HG2 ARG A 137 3.863 -4.681 6.333 1.00 0.00 H new ATOM 0 HG3 ARG A 137 4.744 -3.504 5.379 1.00 0.00 H new ATOM 0 HD2 ARG A 137 6.469 -3.307 6.944 1.00 0.00 H new ATOM 0 HD3 ARG A 137 5.455 -3.793 8.288 1.00 0.00 H new ATOM 0 HE ARG A 137 6.973 -5.544 6.504 1.00 0.00 H new ATOM 0 HH11 ARG A 137 4.221 -5.293 8.702 1.00 0.00 H new ATOM 0 HH12 ARG A 137 4.205 -7.022 9.065 1.00 0.00 H new ATOM 0 HH21 ARG A 137 6.945 -7.763 6.974 1.00 0.00 H new ATOM 0 HH22 ARG A 137 5.740 -8.414 8.091 1.00 0.00 H new ATOM 555 N VAL A 138 4.380 -0.153 5.256 1.00 0.00 N ATOM 556 CA VAL A 138 5.323 0.522 4.373 1.00 0.00 C ATOM 557 C VAL A 138 6.722 0.546 4.978 1.00 0.00 C ATOM 558 O VAL A 138 6.968 1.229 5.972 1.00 0.00 O ATOM 559 CB VAL A 138 4.879 1.966 4.075 1.00 0.00 C ATOM 560 CG1 VAL A 138 5.984 2.729 3.360 1.00 0.00 C ATOM 561 CG2 VAL A 138 3.598 1.971 3.253 1.00 0.00 C ATOM 0 H VAL A 138 4.246 0.304 6.158 1.00 0.00 H new ATOM 0 HA VAL A 138 5.343 -0.043 3.441 1.00 0.00 H new ATOM 0 HB VAL A 138 4.678 2.468 5.022 1.00 0.00 H new ATOM 0 HG11 VAL A 138 5.651 3.747 3.158 1.00 0.00 H new ATOM 0 HG12 VAL A 138 6.874 2.756 3.989 1.00 0.00 H new ATOM 0 HG13 VAL A 138 6.220 2.231 2.419 1.00 0.00 H new ATOM 0 HG21 VAL A 138 3.299 3.000 3.052 1.00 0.00 H new ATOM 0 HG22 VAL A 138 3.769 1.452 2.310 1.00 0.00 H new ATOM 0 HG23 VAL A 138 2.808 1.465 3.808 1.00 0.00 H new ATOM 571 N GLY A 139 7.637 -0.204 4.371 1.00 0.00 N ATOM 572 CA GLY A 139 9.001 -0.254 4.865 1.00 0.00 C ATOM 573 C GLY A 139 9.076 -0.665 6.322 1.00 0.00 C ATOM 574 O GLY A 139 8.250 -1.435 6.815 1.00 0.00 O ATOM 0 H GLY A 139 7.458 -0.777 3.547 1.00 0.00 H new ATOM 0 HA2 GLY A 139 9.577 -0.957 4.263 1.00 0.00 H new ATOM 0 HA3 GLY A 139 9.464 0.725 4.743 1.00 0.00 H new ATOM 578 N PRO A 140 10.086 -0.149 7.036 1.00 0.00 N ATOM 579 CA PRO A 140 10.291 -0.454 8.455 1.00 0.00 C ATOM 580 C PRO A 140 9.217 0.166 9.342 1.00 0.00 C ATOM 581 O PRO A 140 9.273 0.060 10.567 1.00 0.00 O ATOM 582 CB PRO A 140 11.658 0.164 8.757 1.00 0.00 C ATOM 583 CG PRO A 140 11.812 1.253 7.752 1.00 0.00 C ATOM 584 CD PRO A 140 11.107 0.775 6.512 1.00 0.00 C ATOM 0 HA PRO A 140 10.239 -1.525 8.654 1.00 0.00 H new ATOM 0 HB2 PRO A 140 11.700 0.555 9.774 1.00 0.00 H new ATOM 0 HB3 PRO A 140 12.455 -0.574 8.666 1.00 0.00 H new ATOM 0 HG2 PRO A 140 11.376 2.184 8.115 1.00 0.00 H new ATOM 0 HG3 PRO A 140 12.865 1.452 7.550 1.00 0.00 H new ATOM 0 HD2 PRO A 140 10.657 1.601 5.962 1.00 0.00 H new ATOM 0 HD3 PRO A 140 11.792 0.272 5.829 1.00 0.00 H new ATOM 592 N ASP A 141 8.240 0.813 8.716 1.00 0.00 N ATOM 593 CA ASP A 141 7.152 1.449 9.449 1.00 0.00 C ATOM 594 C ASP A 141 5.803 0.883 9.019 1.00 0.00 C ATOM 595 O ASP A 141 5.527 0.744 7.827 1.00 0.00 O ATOM 596 CB ASP A 141 7.178 2.963 9.229 1.00 0.00 C ATOM 597 CG ASP A 141 8.463 3.598 9.723 1.00 0.00 C ATOM 598 OD1 ASP A 141 9.472 3.540 8.991 1.00 0.00 O ATOM 599 OD2 ASP A 141 8.458 4.152 10.843 1.00 0.00 O ATOM 0 H ASP A 141 8.179 0.911 7.703 1.00 0.00 H new ATOM 0 HA ASP A 141 7.291 1.241 10.510 1.00 0.00 H new ATOM 0 HB2 ASP A 141 7.056 3.175 8.167 1.00 0.00 H new ATOM 0 HB3 ASP A 141 6.331 3.417 9.744 1.00 0.00 H new ATOM 604 N VAL A 142 4.965 0.555 9.998 1.00 0.00 N ATOM 605 CA VAL A 142 3.644 0.003 9.720 1.00 0.00 C ATOM 606 C VAL A 142 2.598 1.107 9.617 1.00 0.00 C ATOM 607 O VAL A 142 2.475 1.947 10.509 1.00 0.00 O ATOM 608 CB VAL A 142 3.214 -0.996 10.810 1.00 0.00 C ATOM 609 CG1 VAL A 142 1.739 -1.340 10.667 1.00 0.00 C ATOM 610 CG2 VAL A 142 4.071 -2.252 10.751 1.00 0.00 C ATOM 0 H VAL A 142 5.177 0.662 10.990 1.00 0.00 H new ATOM 0 HA VAL A 142 3.713 -0.519 8.765 1.00 0.00 H new ATOM 0 HB VAL A 142 3.361 -0.529 11.784 1.00 0.00 H new ATOM 0 HG11 VAL A 142 1.453 -2.047 11.446 1.00 0.00 H new ATOM 0 HG12 VAL A 142 1.143 -0.433 10.764 1.00 0.00 H new ATOM 0 HG13 VAL A 142 1.563 -1.787 9.689 1.00 0.00 H new ATOM 0 HG21 VAL A 142 3.753 -2.946 11.529 1.00 0.00 H new ATOM 0 HG22 VAL A 142 3.958 -2.724 9.775 1.00 0.00 H new ATOM 0 HG23 VAL A 142 5.117 -1.987 10.907 1.00 0.00 H new ATOM 620 N VAL A 143 1.846 1.101 8.522 1.00 0.00 N ATOM 621 CA VAL A 143 0.808 2.101 8.300 1.00 0.00 C ATOM 622 C VAL A 143 -0.579 1.518 8.546 1.00 0.00 C ATOM 623 O VAL A 143 -0.868 0.386 8.153 1.00 0.00 O ATOM 624 CB VAL A 143 0.869 2.667 6.869 1.00 0.00 C ATOM 625 CG1 VAL A 143 -0.223 3.704 6.658 1.00 0.00 C ATOM 626 CG2 VAL A 143 2.241 3.262 6.590 1.00 0.00 C ATOM 0 H VAL A 143 1.936 0.414 7.773 1.00 0.00 H new ATOM 0 HA VAL A 143 0.991 2.908 9.009 1.00 0.00 H new ATOM 0 HB VAL A 143 0.702 1.850 6.166 1.00 0.00 H new ATOM 0 HG11 VAL A 143 -0.164 4.093 5.641 1.00 0.00 H new ATOM 0 HG12 VAL A 143 -1.198 3.243 6.814 1.00 0.00 H new ATOM 0 HG13 VAL A 143 -0.091 4.521 7.367 1.00 0.00 H new ATOM 0 HG21 VAL A 143 2.267 3.657 5.575 1.00 0.00 H new ATOM 0 HG22 VAL A 143 2.439 4.067 7.298 1.00 0.00 H new ATOM 0 HG23 VAL A 143 3.002 2.489 6.698 1.00 0.00 H new ATOM 636 N THR A 144 -1.437 2.296 9.198 1.00 0.00 N ATOM 637 CA THR A 144 -2.793 1.857 9.497 1.00 0.00 C ATOM 638 C THR A 144 -3.824 2.807 8.896 1.00 0.00 C ATOM 639 O THR A 144 -4.957 2.414 8.619 1.00 0.00 O ATOM 640 CB THR A 144 -3.030 1.755 11.015 1.00 0.00 C ATOM 641 OG1 THR A 144 -2.360 2.827 11.688 1.00 0.00 O ATOM 642 CG2 THR A 144 -2.531 0.422 11.553 1.00 0.00 C ATOM 0 H THR A 144 -1.216 3.235 9.529 1.00 0.00 H new ATOM 0 HA THR A 144 -2.910 0.869 9.052 1.00 0.00 H new ATOM 0 HB THR A 144 -4.102 1.824 11.198 1.00 0.00 H new ATOM 0 HG1 THR A 144 -2.517 2.756 12.653 1.00 0.00 H new ATOM 0 HG21 THR A 144 -2.709 0.373 12.627 1.00 0.00 H new ATOM 0 HG22 THR A 144 -3.063 -0.392 11.060 1.00 0.00 H new ATOM 0 HG23 THR A 144 -1.463 0.328 11.358 1.00 0.00 H new ATOM 650 N ASP A 145 -3.422 4.057 8.696 1.00 0.00 N ATOM 651 CA ASP A 145 -4.310 5.064 8.126 1.00 0.00 C ATOM 652 C ASP A 145 -4.227 5.062 6.602 1.00 0.00 C ATOM 653 O ASP A 145 -3.144 5.066 6.016 1.00 0.00 O ATOM 654 CB ASP A 145 -3.959 6.450 8.667 1.00 0.00 C ATOM 655 CG ASP A 145 -5.164 7.370 8.727 1.00 0.00 C ATOM 656 OD1 ASP A 145 -6.242 6.908 9.154 1.00 0.00 O ATOM 657 OD2 ASP A 145 -5.027 8.551 8.346 1.00 0.00 O ATOM 0 H ASP A 145 -2.487 4.398 8.920 1.00 0.00 H new ATOM 0 HA ASP A 145 -5.331 4.818 8.416 1.00 0.00 H new ATOM 0 HB2 ASP A 145 -3.532 6.350 9.665 1.00 0.00 H new ATOM 0 HB3 ASP A 145 -3.193 6.900 8.036 1.00 0.00 H new ATOM 662 N PRO A 146 -5.396 5.054 5.945 1.00 0.00 N ATOM 663 CA PRO A 146 -5.482 5.051 4.482 1.00 0.00 C ATOM 664 C PRO A 146 -5.035 6.376 3.873 1.00 0.00 C ATOM 665 O PRO A 146 -4.726 6.451 2.684 1.00 0.00 O ATOM 666 CB PRO A 146 -6.970 4.814 4.214 1.00 0.00 C ATOM 667 CG PRO A 146 -7.659 5.319 5.434 1.00 0.00 C ATOM 668 CD PRO A 146 -6.725 5.049 6.580 1.00 0.00 C ATOM 0 HA PRO A 146 -4.830 4.299 4.037 1.00 0.00 H new ATOM 0 HB2 PRO A 146 -7.302 5.347 3.323 1.00 0.00 H new ATOM 0 HB3 PRO A 146 -7.179 3.757 4.050 1.00 0.00 H new ATOM 0 HG2 PRO A 146 -7.873 6.384 5.348 1.00 0.00 H new ATOM 0 HG3 PRO A 146 -8.613 4.813 5.581 1.00 0.00 H new ATOM 0 HD2 PRO A 146 -6.804 5.814 7.352 1.00 0.00 H new ATOM 0 HD3 PRO A 146 -6.939 4.092 7.056 1.00 0.00 H new ATOM 676 N ALA A 147 -5.003 7.419 4.695 1.00 0.00 N ATOM 677 CA ALA A 147 -4.593 8.741 4.237 1.00 0.00 C ATOM 678 C ALA A 147 -3.075 8.886 4.269 1.00 0.00 C ATOM 679 O ALA A 147 -2.540 9.973 4.048 1.00 0.00 O ATOM 680 CB ALA A 147 -5.246 9.821 5.087 1.00 0.00 C ATOM 0 H ALA A 147 -5.256 7.374 5.682 1.00 0.00 H new ATOM 0 HA ALA A 147 -4.922 8.859 3.205 1.00 0.00 H new ATOM 0 HB1 ALA A 147 -4.931 10.803 4.733 1.00 0.00 H new ATOM 0 HB2 ALA A 147 -6.330 9.739 5.010 1.00 0.00 H new ATOM 0 HB3 ALA A 147 -4.946 9.696 6.127 1.00 0.00 H new ATOM 686 N PHE A 148 -2.386 7.784 4.545 1.00 0.00 N ATOM 687 CA PHE A 148 -0.929 7.789 4.607 1.00 0.00 C ATOM 688 C PHE A 148 -0.326 8.015 3.223 1.00 0.00 C ATOM 689 O PHE A 148 -0.573 7.247 2.292 1.00 0.00 O ATOM 690 CB PHE A 148 -0.418 6.468 5.188 1.00 0.00 C ATOM 691 CG PHE A 148 1.079 6.345 5.170 1.00 0.00 C ATOM 692 CD1 PHE A 148 1.864 7.160 5.970 1.00 0.00 C ATOM 693 CD2 PHE A 148 1.701 5.414 4.355 1.00 0.00 C ATOM 694 CE1 PHE A 148 3.242 7.050 5.955 1.00 0.00 C ATOM 695 CE2 PHE A 148 3.078 5.298 4.336 1.00 0.00 C ATOM 696 CZ PHE A 148 3.849 6.117 5.138 1.00 0.00 C ATOM 0 H PHE A 148 -2.813 6.876 4.729 1.00 0.00 H new ATOM 0 HA PHE A 148 -0.621 8.608 5.257 1.00 0.00 H new ATOM 0 HB2 PHE A 148 -0.770 6.371 6.215 1.00 0.00 H new ATOM 0 HB3 PHE A 148 -0.849 5.641 4.624 1.00 0.00 H new ATOM 0 HD1 PHE A 148 1.394 7.890 6.613 1.00 0.00 H new ATOM 0 HD2 PHE A 148 1.103 4.771 3.727 1.00 0.00 H new ATOM 0 HE1 PHE A 148 3.843 7.693 6.581 1.00 0.00 H new ATOM 0 HE2 PHE A 148 3.551 4.568 3.695 1.00 0.00 H new ATOM 0 HZ PHE A 148 4.925 6.028 5.126 1.00 0.00 H new ATOM 706 N LEU A 149 0.464 9.075 3.096 1.00 0.00 N ATOM 707 CA LEU A 149 1.103 9.405 1.826 1.00 0.00 C ATOM 708 C LEU A 149 2.414 8.643 1.662 1.00 0.00 C ATOM 709 O LEU A 149 3.187 8.505 2.610 1.00 0.00 O ATOM 710 CB LEU A 149 1.360 10.910 1.738 1.00 0.00 C ATOM 711 CG LEU A 149 0.125 11.808 1.822 1.00 0.00 C ATOM 712 CD1 LEU A 149 0.529 13.275 1.808 1.00 0.00 C ATOM 713 CD2 LEU A 149 -0.833 11.506 0.679 1.00 0.00 C ATOM 0 H LEU A 149 0.678 9.721 3.856 1.00 0.00 H new ATOM 0 HA LEU A 149 0.430 9.110 1.021 1.00 0.00 H new ATOM 0 HB2 LEU A 149 2.043 11.189 2.540 1.00 0.00 H new ATOM 0 HB3 LEU A 149 1.871 11.117 0.798 1.00 0.00 H new ATOM 0 HG LEU A 149 -0.386 11.602 2.762 1.00 0.00 H new ATOM 0 HD11 LEU A 149 -0.363 13.899 1.868 1.00 0.00 H new ATOM 0 HD12 LEU A 149 1.175 13.483 2.661 1.00 0.00 H new ATOM 0 HD13 LEU A 149 1.064 13.496 0.885 1.00 0.00 H new ATOM 0 HD21 LEU A 149 -1.706 12.154 0.755 1.00 0.00 H new ATOM 0 HD22 LEU A 149 -0.331 11.683 -0.272 1.00 0.00 H new ATOM 0 HD23 LEU A 149 -1.149 10.464 0.735 1.00 0.00 H new ATOM 725 N VAL A 150 2.660 8.151 0.452 1.00 0.00 N ATOM 726 CA VAL A 150 3.879 7.407 0.162 1.00 0.00 C ATOM 727 C VAL A 150 4.616 8.001 -1.033 1.00 0.00 C ATOM 728 O VAL A 150 3.996 8.454 -1.997 1.00 0.00 O ATOM 729 CB VAL A 150 3.576 5.923 -0.123 1.00 0.00 C ATOM 730 CG1 VAL A 150 4.868 5.133 -0.266 1.00 0.00 C ATOM 731 CG2 VAL A 150 2.702 5.337 0.976 1.00 0.00 C ATOM 0 H VAL A 150 2.030 8.255 -0.344 1.00 0.00 H new ATOM 0 HA VAL A 150 4.511 7.479 1.047 1.00 0.00 H new ATOM 0 HB VAL A 150 3.030 5.855 -1.064 1.00 0.00 H new ATOM 0 HG11 VAL A 150 4.635 4.087 -0.467 1.00 0.00 H new ATOM 0 HG12 VAL A 150 5.453 5.539 -1.091 1.00 0.00 H new ATOM 0 HG13 VAL A 150 5.443 5.206 0.657 1.00 0.00 H new ATOM 0 HG21 VAL A 150 2.498 4.289 0.758 1.00 0.00 H new ATOM 0 HG22 VAL A 150 3.219 5.415 1.932 1.00 0.00 H new ATOM 0 HG23 VAL A 150 1.762 5.887 1.025 1.00 0.00 H new ATOM 741 N THR A 151 5.943 7.998 -0.964 1.00 0.00 N ATOM 742 CA THR A 151 6.766 8.538 -2.039 1.00 0.00 C ATOM 743 C THR A 151 7.123 7.458 -3.054 1.00 0.00 C ATOM 744 O THR A 151 7.307 6.294 -2.696 1.00 0.00 O ATOM 745 CB THR A 151 8.063 9.163 -1.494 1.00 0.00 C ATOM 746 OG1 THR A 151 8.768 8.210 -0.691 1.00 0.00 O ATOM 747 CG2 THR A 151 7.760 10.404 -0.667 1.00 0.00 C ATOM 0 H THR A 151 6.471 7.627 -0.174 1.00 0.00 H new ATOM 0 HA THR A 151 6.176 9.313 -2.529 1.00 0.00 H new ATOM 0 HB THR A 151 8.684 9.452 -2.342 1.00 0.00 H new ATOM 0 HG1 THR A 151 9.592 8.616 -0.350 1.00 0.00 H new ATOM 0 HG21 THR A 151 8.692 10.828 -0.293 1.00 0.00 H new ATOM 0 HG22 THR A 151 7.250 11.140 -1.289 1.00 0.00 H new ATOM 0 HG23 THR A 151 7.121 10.134 0.174 1.00 0.00 H new ATOM 755 N ARG A 152 7.222 7.850 -4.319 1.00 0.00 N ATOM 756 CA ARG A 152 7.557 6.915 -5.386 1.00 0.00 C ATOM 757 C ARG A 152 8.663 5.960 -4.943 1.00 0.00 C ATOM 758 O ARG A 152 8.783 4.851 -5.464 1.00 0.00 O ATOM 759 CB ARG A 152 7.996 7.673 -6.639 1.00 0.00 C ATOM 760 CG ARG A 152 7.921 6.844 -7.910 1.00 0.00 C ATOM 761 CD ARG A 152 6.556 6.956 -8.570 1.00 0.00 C ATOM 762 NE ARG A 152 6.334 8.280 -9.146 1.00 0.00 N ATOM 763 CZ ARG A 152 5.290 8.585 -9.909 1.00 0.00 C ATOM 764 NH1 ARG A 152 4.378 7.664 -10.187 1.00 0.00 N ATOM 765 NH2 ARG A 152 5.158 9.812 -10.395 1.00 0.00 N ATOM 0 H ARG A 152 7.075 8.810 -4.631 1.00 0.00 H new ATOM 0 HA ARG A 152 6.666 6.331 -5.617 1.00 0.00 H new ATOM 0 HB2 ARG A 152 7.371 8.558 -6.755 1.00 0.00 H new ATOM 0 HB3 ARG A 152 9.020 8.021 -6.502 1.00 0.00 H new ATOM 0 HG2 ARG A 152 8.691 7.174 -8.607 1.00 0.00 H new ATOM 0 HG3 ARG A 152 8.129 5.800 -7.677 1.00 0.00 H new ATOM 0 HD2 ARG A 152 6.468 6.201 -9.351 1.00 0.00 H new ATOM 0 HD3 ARG A 152 5.779 6.746 -7.835 1.00 0.00 H new ATOM 0 HE ARG A 152 7.018 9.011 -8.952 1.00 0.00 H new ATOM 0 HH11 ARG A 152 4.477 6.719 -9.815 1.00 0.00 H new ATOM 0 HH12 ARG A 152 3.577 7.900 -10.773 1.00 0.00 H new ATOM 0 HH21 ARG A 152 5.858 10.523 -10.183 1.00 0.00 H new ATOM 0 HH22 ARG A 152 4.356 10.045 -10.981 1.00 0.00 H new ATOM 779 N SER A 153 9.467 6.399 -3.980 1.00 0.00 N ATOM 780 CA SER A 153 10.565 5.585 -3.471 1.00 0.00 C ATOM 781 C SER A 153 10.048 4.513 -2.516 1.00 0.00 C ATOM 782 O SER A 153 10.479 3.361 -2.568 1.00 0.00 O ATOM 783 CB SER A 153 11.592 6.466 -2.758 1.00 0.00 C ATOM 784 OG SER A 153 12.818 5.778 -2.580 1.00 0.00 O ATOM 0 H SER A 153 9.379 7.313 -3.537 1.00 0.00 H new ATOM 0 HA SER A 153 11.044 5.093 -4.318 1.00 0.00 H new ATOM 0 HB2 SER A 153 11.762 7.374 -3.337 1.00 0.00 H new ATOM 0 HB3 SER A 153 11.201 6.775 -1.789 1.00 0.00 H new ATOM 0 HG SER A 153 13.458 6.363 -2.123 1.00 0.00 H new ATOM 790 N MET A 154 9.122 4.901 -1.645 1.00 0.00 N ATOM 791 CA MET A 154 8.546 3.973 -0.679 1.00 0.00 C ATOM 792 C MET A 154 7.546 3.039 -1.352 1.00 0.00 C ATOM 793 O MET A 154 7.341 1.910 -0.907 1.00 0.00 O ATOM 794 CB MET A 154 7.861 4.741 0.453 1.00 0.00 C ATOM 795 CG MET A 154 8.832 5.305 1.479 1.00 0.00 C ATOM 796 SD MET A 154 9.793 4.021 2.302 1.00 0.00 S ATOM 797 CE MET A 154 9.081 4.065 3.946 1.00 0.00 C ATOM 0 H MET A 154 8.755 5.851 -1.588 1.00 0.00 H new ATOM 0 HA MET A 154 9.355 3.372 -0.263 1.00 0.00 H new ATOM 0 HB2 MET A 154 7.280 5.559 0.027 1.00 0.00 H new ATOM 0 HB3 MET A 154 7.157 4.079 0.957 1.00 0.00 H new ATOM 0 HG2 MET A 154 9.510 6.002 0.987 1.00 0.00 H new ATOM 0 HG3 MET A 154 8.277 5.873 2.225 1.00 0.00 H new ATOM 0 HE1 MET A 154 9.075 3.060 4.367 1.00 0.00 H new ATOM 0 HE2 MET A 154 9.675 4.722 4.582 1.00 0.00 H new ATOM 0 HE3 MET A 154 8.059 4.441 3.890 1.00 0.00 H new ATOM 807 N GLU A 155 6.927 3.517 -2.427 1.00 0.00 N ATOM 808 CA GLU A 155 5.947 2.723 -3.161 1.00 0.00 C ATOM 809 C GLU A 155 6.453 1.300 -3.378 1.00 0.00 C ATOM 810 O GLU A 155 5.691 0.338 -3.284 1.00 0.00 O ATOM 811 CB GLU A 155 5.634 3.377 -4.508 1.00 0.00 C ATOM 812 CG GLU A 155 4.848 4.672 -4.388 1.00 0.00 C ATOM 813 CD GLU A 155 4.321 5.159 -5.724 1.00 0.00 C ATOM 814 OE1 GLU A 155 4.826 4.693 -6.766 1.00 0.00 O ATOM 815 OE2 GLU A 155 3.404 6.007 -5.727 1.00 0.00 O ATOM 0 H GLU A 155 7.086 4.449 -2.809 1.00 0.00 H new ATOM 0 HA GLU A 155 5.034 2.678 -2.567 1.00 0.00 H new ATOM 0 HB2 GLU A 155 6.569 3.577 -5.031 1.00 0.00 H new ATOM 0 HB3 GLU A 155 5.069 2.675 -5.121 1.00 0.00 H new ATOM 0 HG2 GLU A 155 4.012 4.524 -3.704 1.00 0.00 H new ATOM 0 HG3 GLU A 155 5.485 5.441 -3.951 1.00 0.00 H new ATOM 822 N ASP A 156 7.743 1.175 -3.669 1.00 0.00 N ATOM 823 CA ASP A 156 8.353 -0.130 -3.899 1.00 0.00 C ATOM 824 C ASP A 156 8.544 -0.880 -2.585 1.00 0.00 C ATOM 825 O ASP A 156 8.581 -2.110 -2.560 1.00 0.00 O ATOM 826 CB ASP A 156 9.698 0.031 -4.610 1.00 0.00 C ATOM 827 CG ASP A 156 10.485 -1.264 -4.659 1.00 0.00 C ATOM 828 OD1 ASP A 156 10.757 -1.833 -3.581 1.00 0.00 O ATOM 829 OD2 ASP A 156 10.828 -1.708 -5.775 1.00 0.00 O ATOM 0 H ASP A 156 8.387 1.962 -3.751 1.00 0.00 H new ATOM 0 HA ASP A 156 7.683 -0.711 -4.533 1.00 0.00 H new ATOM 0 HB2 ASP A 156 9.528 0.388 -5.626 1.00 0.00 H new ATOM 0 HB3 ASP A 156 10.287 0.792 -4.099 1.00 0.00 H new ATOM 834 N PHE A 157 8.668 -0.130 -1.495 1.00 0.00 N ATOM 835 CA PHE A 157 8.858 -0.725 -0.176 1.00 0.00 C ATOM 836 C PHE A 157 7.517 -1.063 0.466 1.00 0.00 C ATOM 837 O PHE A 157 7.392 -1.097 1.691 1.00 0.00 O ATOM 838 CB PHE A 157 9.643 0.228 0.727 1.00 0.00 C ATOM 839 CG PHE A 157 11.129 0.167 0.517 1.00 0.00 C ATOM 840 CD1 PHE A 157 11.833 -0.995 0.786 1.00 0.00 C ATOM 841 CD2 PHE A 157 11.822 1.271 0.047 1.00 0.00 C ATOM 842 CE1 PHE A 157 13.200 -1.054 0.593 1.00 0.00 C ATOM 843 CE2 PHE A 157 13.189 1.219 -0.148 1.00 0.00 C ATOM 844 CZ PHE A 157 13.879 0.054 0.124 1.00 0.00 C ATOM 0 H PHE A 157 8.640 0.890 -1.498 1.00 0.00 H new ATOM 0 HA PHE A 157 9.425 -1.648 -0.299 1.00 0.00 H new ATOM 0 HB2 PHE A 157 9.301 1.248 0.550 1.00 0.00 H new ATOM 0 HB3 PHE A 157 9.422 -0.006 1.768 1.00 0.00 H new ATOM 0 HD1 PHE A 157 11.307 -1.865 1.151 1.00 0.00 H new ATOM 0 HD2 PHE A 157 11.287 2.184 -0.170 1.00 0.00 H new ATOM 0 HE1 PHE A 157 13.737 -1.966 0.809 1.00 0.00 H new ATOM 0 HE2 PHE A 157 13.717 2.088 -0.512 1.00 0.00 H new ATOM 0 HZ PHE A 157 14.947 0.009 -0.030 1.00 0.00 H new ATOM 854 N VAL A 158 6.513 -1.312 -0.369 1.00 0.00 N ATOM 855 CA VAL A 158 5.180 -1.649 0.116 1.00 0.00 C ATOM 856 C VAL A 158 4.979 -3.160 0.167 1.00 0.00 C ATOM 857 O VAL A 158 5.108 -3.849 -0.846 1.00 0.00 O ATOM 858 CB VAL A 158 4.086 -1.026 -0.771 1.00 0.00 C ATOM 859 CG1 VAL A 158 2.704 -1.371 -0.237 1.00 0.00 C ATOM 860 CG2 VAL A 158 4.270 0.481 -0.863 1.00 0.00 C ATOM 0 H VAL A 158 6.598 -1.287 -1.385 1.00 0.00 H new ATOM 0 HA VAL A 158 5.097 -1.240 1.123 1.00 0.00 H new ATOM 0 HB VAL A 158 4.175 -1.442 -1.774 1.00 0.00 H new ATOM 0 HG11 VAL A 158 1.944 -0.922 -0.877 1.00 0.00 H new ATOM 0 HG12 VAL A 158 2.577 -2.454 -0.228 1.00 0.00 H new ATOM 0 HG13 VAL A 158 2.599 -0.985 0.777 1.00 0.00 H new ATOM 0 HG21 VAL A 158 3.489 0.905 -1.494 1.00 0.00 H new ATOM 0 HG22 VAL A 158 4.208 0.917 0.134 1.00 0.00 H new ATOM 0 HG23 VAL A 158 5.246 0.703 -1.296 1.00 0.00 H new ATOM 870 N THR A 159 4.660 -3.669 1.352 1.00 0.00 N ATOM 871 CA THR A 159 4.441 -5.098 1.536 1.00 0.00 C ATOM 872 C THR A 159 3.261 -5.359 2.465 1.00 0.00 C ATOM 873 O THR A 159 2.884 -4.498 3.260 1.00 0.00 O ATOM 874 CB THR A 159 5.693 -5.790 2.108 1.00 0.00 C ATOM 875 OG1 THR A 159 5.405 -7.163 2.398 1.00 0.00 O ATOM 876 CG2 THR A 159 6.169 -5.088 3.369 1.00 0.00 C ATOM 0 H THR A 159 4.547 -3.113 2.199 1.00 0.00 H new ATOM 0 HA THR A 159 4.224 -5.513 0.552 1.00 0.00 H new ATOM 0 HB THR A 159 6.485 -5.736 1.361 1.00 0.00 H new ATOM 0 HG1 THR A 159 6.206 -7.596 2.760 1.00 0.00 H new ATOM 0 HG21 THR A 159 7.054 -5.594 3.755 1.00 0.00 H new ATOM 0 HG22 THR A 159 6.415 -4.052 3.138 1.00 0.00 H new ATOM 0 HG23 THR A 159 5.379 -5.114 4.120 1.00 0.00 H new ATOM 884 N TRP A 160 2.684 -6.551 2.360 1.00 0.00 N ATOM 885 CA TRP A 160 1.546 -6.924 3.194 1.00 0.00 C ATOM 886 C TRP A 160 2.012 -7.460 4.544 1.00 0.00 C ATOM 887 O TRP A 160 2.854 -8.356 4.609 1.00 0.00 O ATOM 888 CB TRP A 160 0.690 -7.974 2.483 1.00 0.00 C ATOM 889 CG TRP A 160 0.005 -7.450 1.257 1.00 0.00 C ATOM 890 CD1 TRP A 160 0.479 -7.484 -0.024 1.00 0.00 C ATOM 891 CD2 TRP A 160 -1.276 -6.812 1.197 1.00 0.00 C ATOM 892 NE1 TRP A 160 -0.432 -6.906 -0.876 1.00 0.00 N ATOM 893 CE2 TRP A 160 -1.516 -6.487 -0.152 1.00 0.00 C ATOM 894 CE3 TRP A 160 -2.243 -6.487 2.151 1.00 0.00 C ATOM 895 CZ2 TRP A 160 -2.683 -5.851 -0.568 1.00 0.00 C ATOM 896 CZ3 TRP A 160 -3.400 -5.856 1.737 1.00 0.00 C ATOM 897 CH2 TRP A 160 -3.613 -5.545 0.388 1.00 0.00 C ATOM 0 H TRP A 160 2.984 -7.275 1.707 1.00 0.00 H new ATOM 0 HA TRP A 160 0.946 -6.031 3.367 1.00 0.00 H new ATOM 0 HB2 TRP A 160 1.320 -8.819 2.205 1.00 0.00 H new ATOM 0 HB3 TRP A 160 -0.061 -8.351 3.177 1.00 0.00 H new ATOM 0 HD1 TRP A 160 1.429 -7.903 -0.323 1.00 0.00 H new ATOM 0 HE1 TRP A 160 -0.319 -6.805 -1.885 1.00 0.00 H new ATOM 0 HE3 TRP A 160 -2.089 -6.725 3.193 1.00 0.00 H new ATOM 0 HZ2 TRP A 160 -2.848 -5.608 -1.607 1.00 0.00 H new ATOM 0 HZ3 TRP A 160 -4.154 -5.598 2.466 1.00 0.00 H new ATOM 0 HH2 TRP A 160 -4.530 -5.054 0.097 1.00 0.00 H new ATOM 908 N VAL A 161 1.461 -6.905 5.618 1.00 0.00 N ATOM 909 CA VAL A 161 1.819 -7.328 6.966 1.00 0.00 C ATOM 910 C VAL A 161 1.944 -8.845 7.051 1.00 0.00 C ATOM 911 O VAL A 161 3.041 -9.380 7.214 1.00 0.00 O ATOM 912 CB VAL A 161 0.782 -6.851 7.998 1.00 0.00 C ATOM 913 CG1 VAL A 161 1.122 -7.382 9.383 1.00 0.00 C ATOM 914 CG2 VAL A 161 0.698 -5.332 8.007 1.00 0.00 C ATOM 0 H VAL A 161 0.764 -6.161 5.581 1.00 0.00 H new ATOM 0 HA VAL A 161 2.783 -6.874 7.194 1.00 0.00 H new ATOM 0 HB VAL A 161 -0.194 -7.244 7.714 1.00 0.00 H new ATOM 0 HG11 VAL A 161 0.377 -7.034 10.099 1.00 0.00 H new ATOM 0 HG12 VAL A 161 1.126 -8.472 9.364 1.00 0.00 H new ATOM 0 HG13 VAL A 161 2.107 -7.021 9.679 1.00 0.00 H new ATOM 0 HG21 VAL A 161 -0.040 -5.013 8.743 1.00 0.00 H new ATOM 0 HG22 VAL A 161 1.671 -4.915 8.265 1.00 0.00 H new ATOM 0 HG23 VAL A 161 0.402 -4.978 7.019 1.00 0.00 H new