USER MOD reduce.3.24.130724 H: found=0, std=0, add=400, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 402 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: B 120 HIS : no HD1:sc= 1.1 K(o=1.1,f=-8!) USER MOD Set 1.2: B 123 GLN : amide:sc= 0 K(o=1.1,f=-0.057) USER MOD Set 2.1: A 120 HIS : no HD1:sc= 1.07 K(o=1.1,f=-8!) USER MOD Set 2.2: A 123 GLN : amide:sc= 0 K(o=1.1,f=0.07) USER MOD Single : A 108 MET CE :methyl -164:sc= -0.0813 (180deg=-0.486) USER MOD Single : A 111 LYS NZ :NH3+ -148:sc= 0.872 (180deg=-0.0286) USER MOD Single : A 113 SER OG : rot 91:sc= 1.05 USER MOD Single : A 117 SER OG : rot 180:sc= 0 USER MOD Single : A 119 THR OG1 : rot 180:sc= 0 USER MOD Single : A 122 MET CE :methyl 178:sc= -5.84! (180deg=-6.04!) USER MOD Single : A 126 THR OG1 : rot 66:sc= 1.25 USER MOD Single : B 108 MET CE :methyl -163:sc= -0.0922 (180deg=-0.521) USER MOD Single : B 111 LYS NZ :NH3+ -148:sc= 0.984 (180deg=0.174) USER MOD Single : B 113 SER OG : rot 91:sc= 0.982 USER MOD Single : B 117 SER OG : rot 180:sc= 0 USER MOD Single : B 119 THR OG1 : rot 180:sc= 0 USER MOD Single : B 122 MET CE :methyl -179:sc= -5.74! (180deg=-5.95!) USER MOD Single : B 126 THR OG1 : rot 85:sc= 1.24 USER MOD ----------------------------------------------------------------- ATOM 87 N LEU A 104 -12.793 2.605 0.482 1.00 2.70 N ATOM 88 CA LEU A 104 -12.424 2.314 1.867 1.00 2.55 C ATOM 89 C LEU A 104 -12.583 0.826 2.222 1.00 2.53 C ATOM 90 O LEU A 104 -11.622 0.203 2.679 1.00 2.25 O ATOM 91 CB LEU A 104 -13.257 3.184 2.820 1.00 2.85 C ATOM 92 CG LEU A 104 -13.014 2.954 4.313 1.00 2.83 C ATOM 93 CD1 LEU A 104 -11.558 3.209 4.662 1.00 2.46 C ATOM 94 CD2 LEU A 104 -13.924 3.852 5.135 1.00 3.18 C ATOM 0 HA LEU A 104 -11.366 2.552 1.980 1.00 2.55 H new ATOM 0 HB2 LEU A 104 -13.056 4.231 2.595 1.00 2.85 H new ATOM 0 HB3 LEU A 104 -14.313 3.010 2.612 1.00 2.85 H new ATOM 0 HG LEU A 104 -13.244 1.915 4.548 1.00 2.83 H new ATOM 0 HD11 LEU A 104 -11.404 3.040 5.728 1.00 2.46 H new ATOM 0 HD12 LEU A 104 -10.923 2.531 4.092 1.00 2.46 H new ATOM 0 HD13 LEU A 104 -11.300 4.239 4.417 1.00 2.46 H new ATOM 0 HD21 LEU A 104 -13.743 3.680 6.196 1.00 3.18 H new ATOM 0 HD22 LEU A 104 -13.718 4.895 4.896 1.00 3.18 H new ATOM 0 HD23 LEU A 104 -14.965 3.625 4.903 1.00 3.18 H new ATOM 106 N PRO A 105 -13.780 0.219 2.031 1.00 2.88 N ATOM 107 CA PRO A 105 -14.004 -1.194 2.367 1.00 2.95 C ATOM 108 C PRO A 105 -13.094 -2.123 1.572 1.00 2.65 C ATOM 109 O PRO A 105 -12.726 -3.201 2.039 1.00 2.62 O ATOM 110 CB PRO A 105 -15.472 -1.429 1.993 1.00 3.43 C ATOM 111 CG PRO A 105 -15.763 -0.358 1.002 1.00 3.51 C ATOM 112 CD PRO A 105 -15.002 0.834 1.494 1.00 3.28 C ATOM 0 HA PRO A 105 -13.785 -1.403 3.414 1.00 2.95 H new ATOM 0 HB2 PRO A 105 -15.622 -2.420 1.566 1.00 3.43 H new ATOM 0 HB3 PRO A 105 -16.123 -1.355 2.864 1.00 3.43 H new ATOM 0 HG2 PRO A 105 -15.442 -0.647 0.001 1.00 3.51 H new ATOM 0 HG3 PRO A 105 -16.832 -0.150 0.946 1.00 3.51 H new ATOM 0 HD2 PRO A 105 -14.785 1.539 0.691 1.00 3.28 H new ATOM 0 HD3 PRO A 105 -15.553 1.382 2.259 1.00 3.28 H new ATOM 120 N GLU A 106 -12.738 -1.709 0.368 1.00 2.53 N ATOM 121 CA GLU A 106 -11.790 -2.463 -0.429 1.00 2.35 C ATOM 122 C GLU A 106 -10.446 -2.531 0.280 1.00 1.89 C ATOM 123 O GLU A 106 -9.819 -3.588 0.356 1.00 1.84 O ATOM 124 CB GLU A 106 -11.604 -1.803 -1.787 1.00 2.43 C ATOM 125 CG GLU A 106 -12.893 -1.645 -2.570 1.00 2.88 C ATOM 126 CD GLU A 106 -12.645 -1.467 -4.050 1.00 3.32 C ATOM 127 OE1 GLU A 106 -13.001 -2.370 -4.838 1.00 3.62 O ATOM 128 OE2 GLU A 106 -12.076 -0.427 -4.436 1.00 3.70 O ATOM 0 H GLU A 106 -13.089 -0.860 -0.076 1.00 2.53 H new ATOM 0 HA GLU A 106 -12.181 -3.471 -0.566 1.00 2.35 H new ATOM 0 HB2 GLU A 106 -11.153 -0.821 -1.645 1.00 2.43 H new ATOM 0 HB3 GLU A 106 -10.902 -2.394 -2.375 1.00 2.43 H new ATOM 0 HG2 GLU A 106 -13.522 -2.521 -2.412 1.00 2.88 H new ATOM 0 HG3 GLU A 106 -13.444 -0.785 -2.190 1.00 2.88 H new ATOM 135 N LEU A 107 -10.028 -1.391 0.814 1.00 1.63 N ATOM 136 CA LEU A 107 -8.754 -1.294 1.509 1.00 1.23 C ATOM 137 C LEU A 107 -8.732 -2.194 2.734 1.00 1.08 C ATOM 138 O LEU A 107 -7.772 -2.918 2.958 1.00 0.96 O ATOM 139 CB LEU A 107 -8.494 0.140 1.957 1.00 1.21 C ATOM 140 CG LEU A 107 -8.333 1.157 0.842 1.00 1.32 C ATOM 141 CD1 LEU A 107 -8.396 2.559 1.413 1.00 1.42 C ATOM 142 CD2 LEU A 107 -7.017 0.937 0.118 1.00 1.20 C ATOM 0 H LEU A 107 -10.555 -0.519 0.778 1.00 1.63 H new ATOM 0 HA LEU A 107 -7.979 -1.610 0.811 1.00 1.23 H new ATOM 0 HB2 LEU A 107 -9.318 0.457 2.597 1.00 1.21 H new ATOM 0 HB3 LEU A 107 -7.592 0.153 2.569 1.00 1.21 H new ATOM 0 HG LEU A 107 -9.145 1.032 0.126 1.00 1.32 H new ATOM 0 HD11 LEU A 107 -8.280 3.285 0.608 1.00 1.42 H new ATOM 0 HD12 LEU A 107 -9.358 2.710 1.902 1.00 1.42 H new ATOM 0 HD13 LEU A 107 -7.595 2.692 2.140 1.00 1.42 H new ATOM 0 HD21 LEU A 107 -6.913 1.673 -0.680 1.00 1.20 H new ATOM 0 HD22 LEU A 107 -6.192 1.046 0.822 1.00 1.20 H new ATOM 0 HD23 LEU A 107 -7.000 -0.066 -0.309 1.00 1.20 H new ATOM 154 N MET A 108 -9.809 -2.151 3.510 1.00 1.27 N ATOM 155 CA MET A 108 -9.903 -2.943 4.733 1.00 1.26 C ATOM 156 C MET A 108 -9.902 -4.437 4.425 1.00 1.17 C ATOM 157 O MET A 108 -9.314 -5.227 5.163 1.00 1.13 O ATOM 158 CB MET A 108 -11.149 -2.553 5.548 1.00 1.64 C ATOM 159 CG MET A 108 -12.476 -2.963 4.935 1.00 1.96 C ATOM 160 SD MET A 108 -13.895 -2.286 5.822 1.00 2.39 S ATOM 161 CE MET A 108 -13.623 -2.958 7.463 1.00 2.67 C ATOM 0 H MET A 108 -10.629 -1.577 3.315 1.00 1.27 H new ATOM 0 HA MET A 108 -9.022 -2.726 5.337 1.00 1.26 H new ATOM 0 HB2 MET A 108 -11.071 -3.001 6.539 1.00 1.64 H new ATOM 0 HB3 MET A 108 -11.149 -1.472 5.686 1.00 1.64 H new ATOM 0 HG2 MET A 108 -12.510 -2.631 3.897 1.00 1.96 H new ATOM 0 HG3 MET A 108 -12.545 -4.051 4.924 1.00 1.96 H new ATOM 0 HE1 MET A 108 -14.540 -2.874 8.047 1.00 2.67 H new ATOM 0 HE2 MET A 108 -13.337 -4.007 7.384 1.00 2.67 H new ATOM 0 HE3 MET A 108 -12.826 -2.401 7.957 1.00 2.67 H new ATOM 171 N ALA A 109 -10.535 -4.824 3.320 1.00 1.27 N ATOM 172 CA ALA A 109 -10.578 -6.228 2.938 1.00 1.30 C ATOM 173 C ALA A 109 -9.200 -6.719 2.494 1.00 0.99 C ATOM 174 O ALA A 109 -8.748 -7.782 2.918 1.00 1.01 O ATOM 175 CB ALA A 109 -11.619 -6.459 1.851 1.00 1.60 C ATOM 0 H ALA A 109 -11.019 -4.192 2.682 1.00 1.27 H new ATOM 0 HA ALA A 109 -10.870 -6.808 3.813 1.00 1.30 H new ATOM 0 HB1 ALA A 109 -11.634 -7.515 1.580 1.00 1.60 H new ATOM 0 HB2 ALA A 109 -12.602 -6.164 2.220 1.00 1.60 H new ATOM 0 HB3 ALA A 109 -11.367 -5.863 0.974 1.00 1.60 H new ATOM 181 N GLU A 110 -8.536 -5.935 1.654 1.00 0.80 N ATOM 182 CA GLU A 110 -7.180 -6.275 1.220 1.00 0.62 C ATOM 183 C GLU A 110 -6.237 -6.250 2.424 1.00 0.45 C ATOM 184 O GLU A 110 -5.379 -7.109 2.589 1.00 0.55 O ATOM 185 CB GLU A 110 -6.686 -5.286 0.160 1.00 0.56 C ATOM 186 CG GLU A 110 -7.448 -5.352 -1.155 1.00 0.60 C ATOM 187 CD GLU A 110 -6.918 -4.364 -2.176 1.00 0.83 C ATOM 188 OE1 GLU A 110 -7.727 -3.753 -2.905 1.00 1.49 O ATOM 189 OE2 GLU A 110 -5.686 -4.188 -2.250 1.00 1.48 O ATOM 0 H GLU A 110 -8.905 -5.069 1.262 1.00 0.80 H new ATOM 0 HA GLU A 110 -7.194 -7.273 0.783 1.00 0.62 H new ATOM 0 HB2 GLU A 110 -6.760 -4.275 0.560 1.00 0.56 H new ATOM 0 HB3 GLU A 110 -5.630 -5.476 -0.034 1.00 0.56 H new ATOM 0 HG2 GLU A 110 -7.382 -6.361 -1.561 1.00 0.60 H new ATOM 0 HG3 GLU A 110 -8.503 -5.151 -0.972 1.00 0.60 H new ATOM 196 N LYS A 111 -6.455 -5.244 3.247 1.00 0.41 N ATOM 197 CA LYS A 111 -5.647 -5.075 4.453 1.00 0.46 C ATOM 198 C LYS A 111 -5.685 -6.320 5.342 1.00 0.47 C ATOM 199 O LYS A 111 -4.649 -6.882 5.684 1.00 0.52 O ATOM 200 CB LYS A 111 -6.122 -3.854 5.239 1.00 0.63 C ATOM 201 CG LYS A 111 -5.699 -3.863 6.696 1.00 0.79 C ATOM 202 CD LYS A 111 -6.343 -2.723 7.457 1.00 0.89 C ATOM 203 CE LYS A 111 -6.180 -2.890 8.960 1.00 1.15 C ATOM 204 NZ LYS A 111 -6.552 -4.260 9.410 1.00 1.89 N ATOM 0 H LYS A 111 -7.175 -4.535 3.111 1.00 0.41 H new ATOM 0 HA LYS A 111 -4.614 -4.924 4.139 1.00 0.46 H new ATOM 0 HB2 LYS A 111 -5.734 -2.953 4.763 1.00 0.63 H new ATOM 0 HB3 LYS A 111 -7.209 -3.800 5.186 1.00 0.63 H new ATOM 0 HG2 LYS A 111 -5.977 -4.813 7.153 1.00 0.79 H new ATOM 0 HG3 LYS A 111 -4.614 -3.783 6.764 1.00 0.79 H new ATOM 0 HD2 LYS A 111 -5.897 -1.779 7.145 1.00 0.89 H new ATOM 0 HD3 LYS A 111 -7.403 -2.672 7.209 1.00 0.89 H new ATOM 0 HE2 LYS A 111 -5.146 -2.685 9.238 1.00 1.15 H new ATOM 0 HE3 LYS A 111 -6.800 -2.157 9.476 1.00 1.15 H new ATOM 0 HZ1 LYS A 111 -6.950 -4.214 10.370 1.00 1.89 H new ATOM 0 HZ2 LYS A 111 -7.260 -4.658 8.761 1.00 1.89 H new ATOM 0 HZ3 LYS A 111 -5.706 -4.866 9.414 1.00 1.89 H new ATOM 218 N ASP A 112 -6.875 -6.773 5.685 1.00 0.49 N ATOM 219 CA ASP A 112 -7.006 -7.871 6.638 1.00 0.58 C ATOM 220 C ASP A 112 -6.760 -9.224 5.980 1.00 0.53 C ATOM 221 O ASP A 112 -6.671 -10.248 6.659 1.00 0.63 O ATOM 222 CB ASP A 112 -8.371 -7.838 7.324 1.00 0.72 C ATOM 223 CG ASP A 112 -8.376 -6.930 8.537 1.00 2.65 C ATOM 224 OD1 ASP A 112 -8.181 -7.430 9.666 1.00 3.03 O ATOM 225 OD2 ASP A 112 -8.558 -5.705 8.371 1.00 3.08 O ATOM 0 H ASP A 112 -7.757 -6.407 5.327 1.00 0.49 H new ATOM 0 HA ASP A 112 -6.237 -7.735 7.399 1.00 0.58 H new ATOM 0 HB2 ASP A 112 -9.125 -7.498 6.614 1.00 0.72 H new ATOM 0 HB3 ASP A 112 -8.649 -8.848 7.626 1.00 0.72 H new ATOM 230 N SER A 113 -6.635 -9.225 4.660 1.00 0.44 N ATOM 231 CA SER A 113 -6.360 -10.451 3.922 1.00 0.43 C ATOM 232 C SER A 113 -4.895 -10.515 3.487 1.00 0.35 C ATOM 233 O SER A 113 -4.428 -11.543 2.992 1.00 0.40 O ATOM 234 CB SER A 113 -7.268 -10.534 2.697 1.00 0.44 C ATOM 235 OG SER A 113 -8.635 -10.523 3.068 1.00 0.55 O ATOM 0 H SER A 113 -6.719 -8.391 4.078 1.00 0.44 H new ATOM 0 HA SER A 113 -6.558 -11.297 4.580 1.00 0.43 H new ATOM 0 HB2 SER A 113 -7.063 -9.695 2.032 1.00 0.44 H new ATOM 0 HB3 SER A 113 -7.048 -11.444 2.139 1.00 0.44 H new ATOM 0 HG SER A 113 -8.963 -9.600 3.081 1.00 0.55 H new ATOM 241 N LEU A 114 -4.183 -9.416 3.679 1.00 0.27 N ATOM 242 CA LEU A 114 -2.800 -9.305 3.237 1.00 0.23 C ATOM 243 C LEU A 114 -1.866 -9.906 4.277 1.00 0.27 C ATOM 244 O LEU A 114 -2.116 -9.804 5.480 1.00 0.31 O ATOM 245 CB LEU A 114 -2.450 -7.834 3.009 1.00 0.17 C ATOM 246 CG LEU A 114 -1.254 -7.570 2.089 1.00 0.14 C ATOM 247 CD1 LEU A 114 -1.642 -7.772 0.633 1.00 0.14 C ATOM 248 CD2 LEU A 114 -0.716 -6.169 2.300 1.00 0.16 C ATOM 0 H LEU A 114 -4.543 -8.581 4.142 1.00 0.27 H new ATOM 0 HA LEU A 114 -2.681 -9.853 2.302 1.00 0.23 H new ATOM 0 HB2 LEU A 114 -3.323 -7.332 2.592 1.00 0.17 H new ATOM 0 HB3 LEU A 114 -2.249 -7.373 3.976 1.00 0.17 H new ATOM 0 HG LEU A 114 -0.469 -8.284 2.340 1.00 0.14 H new ATOM 0 HD11 LEU A 114 -0.778 -7.580 -0.004 1.00 0.14 H new ATOM 0 HD12 LEU A 114 -1.980 -8.798 0.486 1.00 0.14 H new ATOM 0 HD13 LEU A 114 -2.446 -7.084 0.372 1.00 0.14 H new ATOM 0 HD21 LEU A 114 0.133 -6.002 1.637 1.00 0.16 H new ATOM 0 HD22 LEU A 114 -1.498 -5.442 2.079 1.00 0.16 H new ATOM 0 HD23 LEU A 114 -0.396 -6.054 3.336 1.00 0.16 H new ATOM 260 N ASP A 115 -0.804 -10.543 3.806 1.00 0.29 N ATOM 261 CA ASP A 115 0.169 -11.183 4.687 1.00 0.34 C ATOM 262 C ASP A 115 0.999 -10.127 5.421 1.00 0.33 C ATOM 263 O ASP A 115 1.512 -9.193 4.803 1.00 0.29 O ATOM 264 CB ASP A 115 1.088 -12.108 3.878 1.00 0.37 C ATOM 265 CG ASP A 115 1.981 -12.964 4.758 1.00 0.49 C ATOM 266 OD1 ASP A 115 1.737 -14.184 4.860 1.00 1.23 O ATOM 267 OD2 ASP A 115 2.927 -12.426 5.358 1.00 1.21 O ATOM 0 H ASP A 115 -0.591 -10.632 2.812 1.00 0.29 H new ATOM 0 HA ASP A 115 -0.369 -11.778 5.425 1.00 0.34 H new ATOM 0 HB2 ASP A 115 0.480 -12.755 3.246 1.00 0.37 H new ATOM 0 HB3 ASP A 115 1.709 -11.506 3.214 1.00 0.37 H new ATOM 272 N PRO A 116 1.142 -10.277 6.751 1.00 0.41 N ATOM 273 CA PRO A 116 1.841 -9.304 7.610 1.00 0.46 C ATOM 274 C PRO A 116 3.329 -9.166 7.287 1.00 0.42 C ATOM 275 O PRO A 116 3.971 -8.203 7.709 1.00 0.47 O ATOM 276 CB PRO A 116 1.649 -9.865 9.022 1.00 0.55 C ATOM 277 CG PRO A 116 1.403 -11.316 8.815 1.00 0.55 C ATOM 278 CD PRO A 116 0.626 -11.413 7.535 1.00 0.50 C ATOM 0 HA PRO A 116 1.440 -8.300 7.473 1.00 0.46 H new ATOM 0 HB2 PRO A 116 2.531 -9.696 9.640 1.00 0.55 H new ATOM 0 HB3 PRO A 116 0.809 -9.388 9.528 1.00 0.55 H new ATOM 0 HG2 PRO A 116 2.341 -11.867 8.747 1.00 0.55 H new ATOM 0 HG3 PRO A 116 0.843 -11.742 9.647 1.00 0.55 H new ATOM 0 HD2 PRO A 116 0.797 -12.364 7.030 1.00 0.50 H new ATOM 0 HD3 PRO A 116 -0.447 -11.331 7.707 1.00 0.50 H new ATOM 286 N SER A 117 3.875 -10.130 6.549 1.00 0.36 N ATOM 287 CA SER A 117 5.279 -10.092 6.158 1.00 0.37 C ATOM 288 C SER A 117 5.563 -8.886 5.267 1.00 0.38 C ATOM 289 O SER A 117 6.708 -8.459 5.128 1.00 0.56 O ATOM 290 CB SER A 117 5.666 -11.382 5.432 1.00 0.37 C ATOM 291 OG SER A 117 7.044 -11.402 5.109 1.00 1.30 O ATOM 0 H SER A 117 3.365 -10.946 6.211 1.00 0.36 H new ATOM 0 HA SER A 117 5.879 -10.002 7.063 1.00 0.37 H new ATOM 0 HB2 SER A 117 5.426 -12.240 6.060 1.00 0.37 H new ATOM 0 HB3 SER A 117 5.076 -11.479 4.521 1.00 0.37 H new ATOM 0 HG SER A 117 7.260 -12.239 4.648 1.00 1.30 H new ATOM 297 N PHE A 118 4.517 -8.345 4.664 1.00 0.28 N ATOM 298 CA PHE A 118 4.647 -7.155 3.846 1.00 0.32 C ATOM 299 C PHE A 118 4.352 -5.929 4.694 1.00 0.44 C ATOM 300 O PHE A 118 3.235 -5.419 4.701 1.00 0.94 O ATOM 301 CB PHE A 118 3.695 -7.212 2.656 1.00 0.27 C ATOM 302 CG PHE A 118 3.860 -8.441 1.818 1.00 0.23 C ATOM 303 CD1 PHE A 118 4.657 -8.423 0.690 1.00 1.22 C ATOM 304 CD2 PHE A 118 3.214 -9.615 2.161 1.00 1.21 C ATOM 305 CE1 PHE A 118 4.808 -9.555 -0.083 1.00 1.21 C ATOM 306 CE2 PHE A 118 3.360 -10.749 1.394 1.00 1.23 C ATOM 307 CZ PHE A 118 4.159 -10.721 0.268 1.00 0.28 C ATOM 0 H PHE A 118 3.568 -8.713 4.727 1.00 0.28 H new ATOM 0 HA PHE A 118 5.666 -7.097 3.462 1.00 0.32 H new ATOM 0 HB2 PHE A 118 2.668 -7.165 3.019 1.00 0.27 H new ATOM 0 HB3 PHE A 118 3.853 -6.332 2.032 1.00 0.27 H new ATOM 0 HD1 PHE A 118 5.167 -7.513 0.411 1.00 1.22 H new ATOM 0 HD2 PHE A 118 2.588 -9.642 3.041 1.00 1.21 H new ATOM 0 HE1 PHE A 118 5.434 -9.529 -0.963 1.00 1.21 H new ATOM 0 HE2 PHE A 118 2.850 -11.659 1.673 1.00 1.23 H new ATOM 0 HZ PHE A 118 4.276 -11.609 -0.336 1.00 0.28 H new ATOM 317 N THR A 119 5.371 -5.469 5.407 1.00 0.39 N ATOM 318 CA THR A 119 5.222 -4.371 6.348 1.00 0.39 C ATOM 319 C THR A 119 4.675 -3.115 5.679 1.00 0.42 C ATOM 320 O THR A 119 3.666 -2.567 6.113 1.00 0.45 O ATOM 321 CB THR A 119 6.567 -4.039 7.016 1.00 0.44 C ATOM 322 OG1 THR A 119 7.070 -5.195 7.701 1.00 0.48 O ATOM 323 CG2 THR A 119 6.416 -2.885 7.995 1.00 0.45 C ATOM 0 H THR A 119 6.318 -5.844 5.349 1.00 0.39 H new ATOM 0 HA THR A 119 4.507 -4.700 7.102 1.00 0.39 H new ATOM 0 HB THR A 119 7.272 -3.742 6.239 1.00 0.44 H new ATOM 0 HG1 THR A 119 7.927 -4.978 8.123 1.00 0.48 H new ATOM 0 HG21 THR A 119 7.381 -2.669 8.454 1.00 0.45 H new ATOM 0 HG22 THR A 119 6.061 -2.002 7.464 1.00 0.45 H new ATOM 0 HG23 THR A 119 5.698 -3.156 8.769 1.00 0.45 H new ATOM 331 N HIS A 120 5.337 -2.663 4.625 1.00 0.44 N ATOM 332 CA HIS A 120 4.960 -1.418 3.975 1.00 0.51 C ATOM 333 C HIS A 120 3.637 -1.553 3.239 1.00 0.47 C ATOM 334 O HIS A 120 2.818 -0.642 3.267 1.00 0.57 O ATOM 335 CB HIS A 120 6.063 -0.942 3.038 1.00 0.60 C ATOM 336 CG HIS A 120 7.338 -0.627 3.753 1.00 0.92 C ATOM 337 ND1 HIS A 120 7.382 0.075 4.946 1.00 1.09 N ATOM 338 CD2 HIS A 120 8.619 -0.941 3.457 1.00 1.19 C ATOM 339 CE1 HIS A 120 8.636 0.172 5.346 1.00 1.40 C ATOM 340 NE2 HIS A 120 9.402 -0.434 4.464 1.00 1.47 N ATOM 0 H HIS A 120 6.135 -3.138 4.203 1.00 0.44 H new ATOM 0 HA HIS A 120 4.826 -0.665 4.752 1.00 0.51 H new ATOM 0 HB2 HIS A 120 6.253 -1.710 2.289 1.00 0.60 H new ATOM 0 HB3 HIS A 120 5.722 -0.054 2.505 1.00 0.60 H new ATOM 0 HD2 HIS A 120 8.962 -1.488 2.591 1.00 1.19 H new ATOM 0 HE1 HIS A 120 8.976 0.665 6.245 1.00 1.40 H new ATOM 0 HE2 HIS A 120 10.417 -0.514 4.520 1.00 1.47 H new ATOM 349 N ALA A 121 3.428 -2.690 2.589 1.00 0.37 N ATOM 350 CA ALA A 121 2.163 -2.964 1.916 1.00 0.34 C ATOM 351 C ALA A 121 1.017 -2.912 2.910 1.00 0.38 C ATOM 352 O ALA A 121 -0.044 -2.350 2.641 1.00 0.47 O ATOM 353 CB ALA A 121 2.214 -4.319 1.232 1.00 0.27 C ATOM 0 H ALA A 121 4.117 -3.438 2.513 1.00 0.37 H new ATOM 0 HA ALA A 121 1.997 -2.200 1.157 1.00 0.34 H new ATOM 0 HB1 ALA A 121 1.264 -4.511 0.734 1.00 0.27 H new ATOM 0 HB2 ALA A 121 3.018 -4.325 0.496 1.00 0.27 H new ATOM 0 HB3 ALA A 121 2.397 -5.095 1.975 1.00 0.27 H new ATOM 359 N MET A 122 1.265 -3.480 4.075 1.00 0.35 N ATOM 360 CA MET A 122 0.297 -3.481 5.159 1.00 0.34 C ATOM 361 C MET A 122 0.145 -2.084 5.747 1.00 0.39 C ATOM 362 O MET A 122 -0.956 -1.652 6.097 1.00 0.41 O ATOM 363 CB MET A 122 0.738 -4.473 6.237 1.00 0.37 C ATOM 364 CG MET A 122 0.400 -5.920 5.925 1.00 0.38 C ATOM 365 SD MET A 122 -1.229 -6.413 6.529 1.00 0.49 S ATOM 366 CE MET A 122 -2.273 -5.172 5.773 1.00 0.63 C ATOM 0 H MET A 122 2.141 -3.953 4.298 1.00 0.35 H new ATOM 0 HA MET A 122 -0.673 -3.787 4.768 1.00 0.34 H new ATOM 0 HB2 MET A 122 1.815 -4.385 6.377 1.00 0.37 H new ATOM 0 HB3 MET A 122 0.270 -4.198 7.182 1.00 0.37 H new ATOM 0 HG2 MET A 122 0.442 -6.072 4.847 1.00 0.38 H new ATOM 0 HG3 MET A 122 1.157 -6.567 6.368 1.00 0.38 H new ATOM 0 HE1 MET A 122 -3.315 -5.369 6.027 1.00 0.63 H new ATOM 0 HE2 MET A 122 -1.990 -4.186 6.140 1.00 0.63 H new ATOM 0 HE3 MET A 122 -2.152 -5.205 4.690 1.00 0.63 H new ATOM 376 N GLN A 123 1.258 -1.382 5.833 1.00 0.44 N ATOM 377 CA GLN A 123 1.285 -0.044 6.396 1.00 0.53 C ATOM 378 C GLN A 123 0.568 0.959 5.496 1.00 0.54 C ATOM 379 O GLN A 123 -0.218 1.773 5.979 1.00 0.62 O ATOM 380 CB GLN A 123 2.731 0.368 6.673 1.00 0.65 C ATOM 381 CG GLN A 123 2.941 1.850 6.908 1.00 0.83 C ATOM 382 CD GLN A 123 4.389 2.174 7.208 1.00 1.12 C ATOM 383 OE1 GLN A 123 5.306 1.520 6.697 1.00 1.60 O ATOM 384 NE2 GLN A 123 4.606 3.170 8.050 1.00 1.76 N ATOM 0 H GLN A 123 2.167 -1.720 5.516 1.00 0.44 H new ATOM 0 HA GLN A 123 0.742 -0.050 7.341 1.00 0.53 H new ATOM 0 HB2 GLN A 123 3.087 -0.177 7.547 1.00 0.65 H new ATOM 0 HB3 GLN A 123 3.349 0.058 5.830 1.00 0.65 H new ATOM 0 HG2 GLN A 123 2.619 2.406 6.028 1.00 0.83 H new ATOM 0 HG3 GLN A 123 2.316 2.178 7.738 1.00 0.83 H new ATOM 0 HE21 GLN A 123 3.819 3.682 8.448 1.00 1.76 H new ATOM 0 HE22 GLN A 123 5.561 3.426 8.302 1.00 1.76 H new ATOM 393 N LEU A 124 0.811 0.893 4.198 1.00 0.49 N ATOM 394 CA LEU A 124 0.194 1.833 3.273 1.00 0.50 C ATOM 395 C LEU A 124 -1.314 1.608 3.193 1.00 0.45 C ATOM 396 O LEU A 124 -2.086 2.562 3.075 1.00 0.52 O ATOM 397 CB LEU A 124 0.860 1.758 1.902 1.00 0.50 C ATOM 398 CG LEU A 124 2.340 2.145 1.904 1.00 0.56 C ATOM 399 CD1 LEU A 124 3.017 1.676 0.628 1.00 0.49 C ATOM 400 CD2 LEU A 124 2.496 3.650 2.060 1.00 0.83 C ATOM 0 H LEU A 124 1.425 0.205 3.762 1.00 0.49 H new ATOM 0 HA LEU A 124 0.347 2.844 3.652 1.00 0.50 H new ATOM 0 HB2 LEU A 124 0.762 0.743 1.517 1.00 0.50 H new ATOM 0 HB3 LEU A 124 0.325 2.413 1.214 1.00 0.50 H new ATOM 0 HG LEU A 124 2.820 1.655 2.751 1.00 0.56 H new ATOM 0 HD11 LEU A 124 4.069 1.961 0.648 1.00 0.49 H new ATOM 0 HD12 LEU A 124 2.936 0.592 0.550 1.00 0.49 H new ATOM 0 HD13 LEU A 124 2.533 2.138 -0.232 1.00 0.49 H new ATOM 0 HD21 LEU A 124 3.555 3.908 2.059 1.00 0.83 H new ATOM 0 HD22 LEU A 124 1.999 4.155 1.232 1.00 0.83 H new ATOM 0 HD23 LEU A 124 2.046 3.967 3.001 1.00 0.83 H new ATOM 412 N LEU A 125 -1.726 0.343 3.283 1.00 0.37 N ATOM 413 CA LEU A 125 -3.147 -0.002 3.329 1.00 0.35 C ATOM 414 C LEU A 125 -3.770 0.588 4.580 1.00 0.46 C ATOM 415 O LEU A 125 -4.888 1.096 4.556 1.00 0.52 O ATOM 416 CB LEU A 125 -3.345 -1.520 3.344 1.00 0.28 C ATOM 417 CG LEU A 125 -3.306 -2.216 1.990 1.00 0.25 C ATOM 418 CD1 LEU A 125 -3.248 -3.717 2.196 1.00 0.21 C ATOM 419 CD2 LEU A 125 -4.532 -1.850 1.170 1.00 0.33 C ATOM 0 H LEU A 125 -1.097 -0.459 3.325 1.00 0.37 H new ATOM 0 HA LEU A 125 -3.625 0.405 2.438 1.00 0.35 H new ATOM 0 HB2 LEU A 125 -2.575 -1.960 3.978 1.00 0.28 H new ATOM 0 HB3 LEU A 125 -4.305 -1.736 3.813 1.00 0.28 H new ATOM 0 HG LEU A 125 -2.419 -1.890 1.448 1.00 0.25 H new ATOM 0 HD11 LEU A 125 -3.220 -4.216 1.228 1.00 0.21 H new ATOM 0 HD12 LEU A 125 -2.352 -3.972 2.762 1.00 0.21 H new ATOM 0 HD13 LEU A 125 -4.130 -4.043 2.747 1.00 0.21 H new ATOM 0 HD21 LEU A 125 -4.489 -2.356 0.205 1.00 0.33 H new ATOM 0 HD22 LEU A 125 -5.431 -2.160 1.702 1.00 0.33 H new ATOM 0 HD23 LEU A 125 -4.556 -0.772 1.014 1.00 0.33 H new ATOM 431 N THR A 126 -3.015 0.538 5.664 1.00 0.55 N ATOM 432 CA THR A 126 -3.506 1.021 6.941 1.00 0.74 C ATOM 433 C THR A 126 -3.665 2.540 6.911 1.00 0.92 C ATOM 434 O THR A 126 -4.699 3.080 7.309 1.00 1.07 O ATOM 435 CB THR A 126 -2.554 0.611 8.082 1.00 0.81 C ATOM 436 OG1 THR A 126 -2.491 -0.819 8.174 1.00 0.86 O ATOM 437 CG2 THR A 126 -3.000 1.198 9.413 1.00 0.91 C ATOM 0 H THR A 126 -2.064 0.169 5.685 1.00 0.55 H new ATOM 0 HA THR A 126 -4.481 0.568 7.124 1.00 0.74 H new ATOM 0 HB THR A 126 -1.564 1.005 7.855 1.00 0.81 H new ATOM 0 HG1 THR A 126 -2.070 -1.181 7.366 1.00 0.86 H new ATOM 0 HG21 THR A 126 -2.308 0.890 10.197 1.00 0.91 H new ATOM 0 HG22 THR A 126 -3.011 2.286 9.345 1.00 0.91 H new ATOM 0 HG23 THR A 126 -4.001 0.839 9.652 1.00 0.91 H new ATOM 445 N ALA A 127 -2.641 3.211 6.399 1.00 0.96 N ATOM 446 CA ALA A 127 -2.612 4.666 6.346 1.00 1.09 C ATOM 447 C ALA A 127 -3.737 5.233 5.483 1.00 1.18 C ATOM 448 O ALA A 127 -4.394 6.201 5.865 1.00 1.38 O ATOM 449 CB ALA A 127 -1.263 5.128 5.823 1.00 1.18 C ATOM 0 H ALA A 127 -1.811 2.764 6.010 1.00 0.96 H new ATOM 0 HA ALA A 127 -2.764 5.041 7.358 1.00 1.09 H new ATOM 0 HB1 ALA A 127 -1.242 6.217 5.783 1.00 1.18 H new ATOM 0 HB2 ALA A 127 -0.475 4.773 6.487 1.00 1.18 H new ATOM 0 HB3 ALA A 127 -1.103 4.725 4.823 1.00 1.18 H new ATOM 455 N GLU A 128 -3.945 4.635 4.312 1.00 1.13 N ATOM 456 CA GLU A 128 -4.988 5.093 3.395 1.00 1.31 C ATOM 457 C GLU A 128 -6.361 4.978 4.045 1.00 1.38 C ATOM 458 O GLU A 128 -7.223 5.841 3.876 1.00 1.61 O ATOM 459 CB GLU A 128 -4.956 4.285 2.103 1.00 1.35 C ATOM 460 CG GLU A 128 -5.900 4.810 1.034 1.00 1.47 C ATOM 461 CD GLU A 128 -5.513 6.183 0.530 1.00 1.46 C ATOM 462 OE1 GLU A 128 -6.016 7.187 1.070 1.00 2.02 O ATOM 463 OE2 GLU A 128 -4.707 6.262 -0.417 1.00 1.95 O ATOM 0 H GLU A 128 -3.408 3.835 3.976 1.00 1.13 H new ATOM 0 HA GLU A 128 -4.798 6.140 3.160 1.00 1.31 H new ATOM 0 HB2 GLU A 128 -3.939 4.284 1.710 1.00 1.35 H new ATOM 0 HB3 GLU A 128 -5.212 3.249 2.326 1.00 1.35 H new ATOM 0 HG2 GLU A 128 -5.917 4.112 0.197 1.00 1.47 H new ATOM 0 HG3 GLU A 128 -6.912 4.848 1.437 1.00 1.47 H new ATOM 470 N ILE A 129 -6.544 3.914 4.814 1.00 1.24 N ATOM 471 CA ILE A 129 -7.786 3.712 5.533 1.00 1.42 C ATOM 472 C ILE A 129 -7.984 4.817 6.563 1.00 1.64 C ATOM 473 O ILE A 129 -9.083 5.356 6.709 1.00 1.92 O ATOM 474 CB ILE A 129 -7.828 2.325 6.205 1.00 1.32 C ATOM 475 CG1 ILE A 129 -7.882 1.248 5.124 1.00 1.14 C ATOM 476 CG2 ILE A 129 -9.020 2.207 7.148 1.00 1.59 C ATOM 477 CD1 ILE A 129 -7.730 -0.156 5.648 1.00 1.01 C ATOM 0 H ILE A 129 -5.848 3.181 4.953 1.00 1.24 H new ATOM 0 HA ILE A 129 -8.604 3.753 4.813 1.00 1.42 H new ATOM 0 HB ILE A 129 -6.927 2.192 6.804 1.00 1.32 H new ATOM 0 HG12 ILE A 129 -8.832 1.326 4.595 1.00 1.14 H new ATOM 0 HG13 ILE A 129 -7.095 1.440 4.395 1.00 1.14 H new ATOM 0 HG21 ILE A 129 -9.024 1.219 7.607 1.00 1.59 H new ATOM 0 HG22 ILE A 129 -8.946 2.968 7.925 1.00 1.59 H new ATOM 0 HG23 ILE A 129 -9.943 2.350 6.587 1.00 1.59 H new ATOM 0 HD11 ILE A 129 -7.779 -0.861 4.818 1.00 1.01 H new ATOM 0 HD12 ILE A 129 -6.768 -0.254 6.151 1.00 1.01 H new ATOM 0 HD13 ILE A 129 -8.532 -0.370 6.354 1.00 1.01 H new ATOM 679 N LEU B 104 12.814 2.365 -0.309 1.00 2.70 N ATOM 680 CA LEU B 104 12.438 2.095 -1.695 1.00 2.55 C ATOM 681 C LEU B 104 12.568 0.604 -2.059 1.00 2.53 C ATOM 682 O LEU B 104 11.595 0.002 -2.514 1.00 2.25 O ATOM 683 CB LEU B 104 13.287 2.956 -2.642 1.00 2.85 C ATOM 684 CG LEU B 104 13.040 2.742 -4.135 1.00 2.83 C ATOM 685 CD1 LEU B 104 11.588 3.024 -4.481 1.00 2.46 C ATOM 686 CD2 LEU B 104 13.967 3.629 -4.953 1.00 3.18 C ATOM 0 HA LEU B 104 11.386 2.357 -1.807 1.00 2.55 H new ATOM 0 HB2 LEU B 104 13.106 4.005 -2.410 1.00 2.85 H new ATOM 0 HB3 LEU B 104 14.339 2.761 -2.435 1.00 2.85 H new ATOM 0 HG LEU B 104 13.252 1.701 -4.377 1.00 2.83 H new ATOM 0 HD11 LEU B 104 11.431 2.866 -5.548 1.00 2.46 H new ATOM 0 HD12 LEU B 104 10.942 2.352 -3.916 1.00 2.46 H new ATOM 0 HD13 LEU B 104 11.347 4.056 -4.227 1.00 2.46 H new ATOM 0 HD21 LEU B 104 13.782 3.468 -6.015 1.00 3.18 H new ATOM 0 HD22 LEU B 104 13.781 4.674 -4.707 1.00 3.18 H new ATOM 0 HD23 LEU B 104 15.003 3.381 -4.724 1.00 3.18 H new ATOM 698 N PRO B 105 13.753 -0.022 -1.877 1.00 2.88 N ATOM 699 CA PRO B 105 13.950 -1.439 -2.225 1.00 2.95 C ATOM 700 C PRO B 105 13.022 -2.358 -1.438 1.00 2.65 C ATOM 701 O PRO B 105 12.633 -3.424 -1.913 1.00 2.62 O ATOM 702 CB PRO B 105 15.414 -1.704 -1.856 1.00 3.43 C ATOM 703 CG PRO B 105 15.727 -0.646 -0.859 1.00 3.51 C ATOM 704 CD PRO B 105 14.991 0.565 -1.341 1.00 3.28 C ATOM 0 HA PRO B 105 13.726 -1.636 -3.273 1.00 2.95 H new ATOM 0 HB2 PRO B 105 15.546 -2.701 -1.436 1.00 3.43 H new ATOM 0 HB3 PRO B 105 16.065 -1.637 -2.728 1.00 3.43 H new ATOM 0 HG2 PRO B 105 15.401 -0.935 0.140 1.00 3.51 H new ATOM 0 HG3 PRO B 105 16.800 -0.460 -0.803 1.00 3.51 H new ATOM 0 HD2 PRO B 105 14.792 1.270 -0.534 1.00 3.28 H new ATOM 0 HD3 PRO B 105 15.550 1.105 -2.105 1.00 3.28 H new ATOM 712 N GLU B 106 12.675 -1.946 -0.230 1.00 2.53 N ATOM 713 CA GLU B 106 11.717 -2.685 0.566 1.00 2.35 C ATOM 714 C GLU B 106 10.370 -2.724 -0.141 1.00 1.89 C ATOM 715 O GLU B 106 9.721 -3.767 -0.221 1.00 1.84 O ATOM 716 CB GLU B 106 11.547 -2.029 1.928 1.00 2.43 C ATOM 717 CG GLU B 106 12.841 -1.899 2.710 1.00 2.88 C ATOM 718 CD GLU B 106 12.599 -1.726 4.193 1.00 3.33 C ATOM 719 OE1 GLU B 106 12.965 -2.630 4.971 1.00 3.62 O ATOM 720 OE2 GLU B 106 12.021 -0.695 4.592 1.00 3.71 O ATOM 0 H GLU B 106 13.043 -1.106 0.217 1.00 2.53 H new ATOM 0 HA GLU B 106 12.089 -3.701 0.698 1.00 2.35 H new ATOM 0 HB2 GLU B 106 11.114 -1.038 1.792 1.00 2.43 H new ATOM 0 HB3 GLU B 106 10.835 -2.610 2.515 1.00 2.43 H new ATOM 0 HG2 GLU B 106 13.454 -2.785 2.545 1.00 2.88 H new ATOM 0 HG3 GLU B 106 13.406 -1.046 2.334 1.00 2.88 H new ATOM 727 N LEU B 107 9.972 -1.573 -0.669 1.00 1.63 N ATOM 728 CA LEU B 107 8.700 -1.445 -1.362 1.00 1.23 C ATOM 729 C LEU B 107 8.661 -2.338 -2.594 1.00 1.08 C ATOM 730 O LEU B 107 7.689 -3.046 -2.821 1.00 0.96 O ATOM 731 CB LEU B 107 8.468 -0.002 -1.797 1.00 1.21 C ATOM 732 CG LEU B 107 8.328 1.009 -0.674 1.00 1.31 C ATOM 733 CD1 LEU B 107 8.417 2.416 -1.234 1.00 1.42 C ATOM 734 CD2 LEU B 107 7.010 0.805 0.051 1.00 1.19 C ATOM 0 H LEU B 107 10.517 -0.712 -0.629 1.00 1.63 H new ATOM 0 HA LEU B 107 7.917 -1.750 -0.668 1.00 1.23 H new ATOM 0 HB2 LEU B 107 9.297 0.304 -2.435 1.00 1.21 H new ATOM 0 HB3 LEU B 107 7.566 0.034 -2.408 1.00 1.21 H new ATOM 0 HG LEU B 107 9.139 0.866 0.040 1.00 1.31 H new ATOM 0 HD11 LEU B 107 8.316 3.137 -0.423 1.00 1.42 H new ATOM 0 HD12 LEU B 107 9.382 2.553 -1.723 1.00 1.42 H new ATOM 0 HD13 LEU B 107 7.618 2.570 -1.959 1.00 1.42 H new ATOM 0 HD21 LEU B 107 6.920 1.536 0.855 1.00 1.19 H new ATOM 0 HD22 LEU B 107 6.185 0.933 -0.650 1.00 1.19 H new ATOM 0 HD23 LEU B 107 6.977 -0.201 0.470 1.00 1.19 H new ATOM 746 N MET B 108 9.736 -2.307 -3.373 1.00 1.26 N ATOM 747 CA MET B 108 9.816 -3.093 -4.604 1.00 1.26 C ATOM 748 C MET B 108 9.791 -4.590 -4.305 1.00 1.17 C ATOM 749 O MET B 108 9.205 -5.369 -5.058 1.00 1.13 O ATOM 750 CB MET B 108 11.068 -2.716 -5.417 1.00 1.64 C ATOM 751 CG MET B 108 12.387 -3.153 -4.811 1.00 1.96 C ATOM 752 SD MET B 108 13.811 -2.495 -5.699 1.00 2.39 S ATOM 753 CE MET B 108 13.530 -3.161 -7.339 1.00 2.67 C ATOM 0 H MET B 108 10.565 -1.747 -3.176 1.00 1.26 H new ATOM 0 HA MET B 108 8.938 -2.858 -5.206 1.00 1.26 H new ATOM 0 HB2 MET B 108 10.981 -3.153 -6.412 1.00 1.64 H new ATOM 0 HB3 MET B 108 11.086 -1.634 -5.545 1.00 1.64 H new ATOM 0 HG2 MET B 108 12.430 -2.828 -3.771 1.00 1.96 H new ATOM 0 HG3 MET B 108 12.438 -4.242 -4.807 1.00 1.96 H new ATOM 0 HE1 MET B 108 14.452 -3.105 -7.918 1.00 2.67 H new ATOM 0 HE2 MET B 108 13.214 -4.201 -7.260 1.00 2.67 H new ATOM 0 HE3 MET B 108 12.753 -2.583 -7.838 1.00 2.67 H new ATOM 763 N ALA B 109 10.413 -4.995 -3.201 1.00 1.27 N ATOM 764 CA ALA B 109 10.432 -6.402 -2.828 1.00 1.30 C ATOM 765 C ALA B 109 9.047 -6.871 -2.388 1.00 0.99 C ATOM 766 O ALA B 109 8.574 -7.920 -2.825 1.00 1.01 O ATOM 767 CB ALA B 109 11.472 -6.657 -1.745 1.00 1.60 C ATOM 0 H ALA B 109 10.905 -4.375 -2.557 1.00 1.27 H new ATOM 0 HA ALA B 109 10.712 -6.984 -3.706 1.00 1.30 H new ATOM 0 HB1 ALA B 109 11.470 -7.714 -1.480 1.00 1.60 H new ATOM 0 HB2 ALA B 109 12.458 -6.377 -2.115 1.00 1.60 H new ATOM 0 HB3 ALA B 109 11.233 -6.062 -0.864 1.00 1.60 H new ATOM 773 N GLU B 110 8.397 -6.080 -1.539 1.00 0.80 N ATOM 774 CA GLU B 110 7.033 -6.397 -1.109 1.00 0.62 C ATOM 775 C GLU B 110 6.094 -6.344 -2.313 1.00 0.45 C ATOM 776 O GLU B 110 5.224 -7.187 -2.487 1.00 0.54 O ATOM 777 CB GLU B 110 6.559 -5.408 -0.041 1.00 0.56 C ATOM 778 CG GLU B 110 7.320 -5.497 1.275 1.00 0.60 C ATOM 779 CD GLU B 110 6.811 -4.504 2.303 1.00 0.83 C ATOM 780 OE1 GLU B 110 7.635 -3.914 3.038 1.00 1.49 O ATOM 781 OE2 GLU B 110 5.586 -4.301 2.377 1.00 1.48 O ATOM 0 H GLU B 110 8.784 -5.225 -1.138 1.00 0.80 H new ATOM 0 HA GLU B 110 7.025 -7.399 -0.680 1.00 0.62 H new ATOM 0 HB2 GLU B 110 6.651 -4.395 -0.433 1.00 0.56 H new ATOM 0 HB3 GLU B 110 5.500 -5.579 0.152 1.00 0.56 H new ATOM 0 HG2 GLU B 110 7.233 -6.507 1.675 1.00 0.60 H new ATOM 0 HG3 GLU B 110 8.379 -5.317 1.092 1.00 0.60 H new ATOM 788 N LYS B 111 6.328 -5.332 -3.128 1.00 0.41 N ATOM 789 CA LYS B 111 5.520 -5.140 -4.328 1.00 0.46 C ATOM 790 C LYS B 111 5.533 -6.381 -5.225 1.00 0.47 C ATOM 791 O LYS B 111 4.488 -6.925 -5.566 1.00 0.52 O ATOM 792 CB LYS B 111 6.018 -3.923 -5.106 1.00 0.63 C ATOM 793 CG LYS B 111 5.597 -3.912 -6.562 1.00 0.79 C ATOM 794 CD LYS B 111 6.262 -2.782 -7.319 1.00 0.89 C ATOM 795 CE LYS B 111 6.089 -2.935 -8.820 1.00 1.15 C ATOM 796 NZ LYS B 111 6.429 -4.309 -9.289 1.00 1.89 N ATOM 0 H LYS B 111 7.060 -4.636 -2.988 1.00 0.41 H new ATOM 0 HA LYS B 111 4.491 -4.971 -4.012 1.00 0.46 H new ATOM 0 HB2 LYS B 111 5.647 -3.019 -4.624 1.00 0.63 H new ATOM 0 HB3 LYS B 111 7.106 -3.890 -5.052 1.00 0.63 H new ATOM 0 HG2 LYS B 111 5.856 -4.864 -7.025 1.00 0.79 H new ATOM 0 HG3 LYS B 111 4.514 -3.809 -6.629 1.00 0.79 H new ATOM 0 HD2 LYS B 111 5.838 -1.830 -6.999 1.00 0.89 H new ATOM 0 HD3 LYS B 111 7.324 -2.756 -7.076 1.00 0.89 H new ATOM 0 HE2 LYS B 111 5.058 -2.705 -9.091 1.00 1.15 H new ATOM 0 HE3 LYS B 111 6.722 -2.211 -9.333 1.00 1.15 H new ATOM 0 HZ1 LYS B 111 6.822 -4.260 -10.251 1.00 1.89 H new ATOM 0 HZ2 LYS B 111 7.132 -4.730 -8.649 1.00 1.89 H new ATOM 0 HZ3 LYS B 111 5.571 -4.896 -9.295 1.00 1.89 H new ATOM 810 N ASP B 112 6.713 -6.850 -5.576 1.00 0.49 N ATOM 811 CA ASP B 112 6.822 -7.942 -6.538 1.00 0.58 C ATOM 812 C ASP B 112 6.552 -9.295 -5.890 1.00 0.53 C ATOM 813 O ASP B 112 6.456 -10.311 -6.575 1.00 0.63 O ATOM 814 CB ASP B 112 8.188 -7.930 -7.224 1.00 0.72 C ATOM 815 CG ASP B 112 8.211 -7.018 -8.433 1.00 2.65 C ATOM 816 OD1 ASP B 112 8.041 -7.524 -9.564 1.00 3.03 O ATOM 817 OD2 ASP B 112 8.389 -5.793 -8.263 1.00 3.08 O ATOM 0 H ASP B 112 7.603 -6.502 -5.219 1.00 0.49 H new ATOM 0 HA ASP B 112 6.056 -7.785 -7.297 1.00 0.58 H new ATOM 0 HB2 ASP B 112 8.948 -7.607 -6.512 1.00 0.72 H new ATOM 0 HB3 ASP B 112 8.448 -8.943 -7.530 1.00 0.72 H new ATOM 822 N SER B 113 6.423 -9.306 -4.572 1.00 0.44 N ATOM 823 CA SER B 113 6.123 -10.531 -3.845 1.00 0.43 C ATOM 824 C SER B 113 4.660 -10.570 -3.406 1.00 0.35 C ATOM 825 O SER B 113 4.166 -11.593 -2.927 1.00 0.40 O ATOM 826 CB SER B 113 7.036 -10.645 -2.627 1.00 0.44 C ATOM 827 OG SER B 113 8.399 -10.669 -3.015 1.00 0.55 O ATOM 0 H SER B 113 6.521 -8.479 -3.983 1.00 0.44 H new ATOM 0 HA SER B 113 6.298 -11.375 -4.512 1.00 0.43 H new ATOM 0 HB2 SER B 113 6.860 -9.804 -1.956 1.00 0.44 H new ATOM 0 HB3 SER B 113 6.796 -11.552 -2.072 1.00 0.44 H new ATOM 0 HG SER B 113 8.749 -9.754 -3.036 1.00 0.55 H new ATOM 833 N LEU B 114 3.972 -9.456 -3.586 1.00 0.27 N ATOM 834 CA LEU B 114 2.595 -9.320 -3.147 1.00 0.23 C ATOM 835 C LEU B 114 1.651 -9.906 -4.192 1.00 0.27 C ATOM 836 O LEU B 114 1.920 -9.837 -5.392 1.00 0.30 O ATOM 837 CB LEU B 114 2.275 -7.846 -2.908 1.00 0.17 C ATOM 838 CG LEU B 114 1.087 -7.570 -1.984 1.00 0.14 C ATOM 839 CD1 LEU B 114 1.474 -7.793 -0.529 1.00 0.14 C ATOM 840 CD2 LEU B 114 0.574 -6.159 -2.182 1.00 0.16 C ATOM 0 H LEU B 114 4.350 -8.624 -4.039 1.00 0.27 H new ATOM 0 HA LEU B 114 2.460 -9.867 -2.214 1.00 0.23 H new ATOM 0 HB2 LEU B 114 3.158 -7.364 -2.489 1.00 0.17 H new ATOM 0 HB3 LEU B 114 2.081 -7.374 -3.871 1.00 0.17 H new ATOM 0 HG LEU B 114 0.289 -8.267 -2.239 1.00 0.14 H new ATOM 0 HD11 LEU B 114 0.615 -7.591 0.111 1.00 0.14 H new ATOM 0 HD12 LEU B 114 1.794 -8.826 -0.392 1.00 0.14 H new ATOM 0 HD13 LEU B 114 2.290 -7.122 -0.263 1.00 0.14 H new ATOM 0 HD21 LEU B 114 -0.271 -5.982 -1.516 1.00 0.16 H new ATOM 0 HD22 LEU B 114 1.369 -5.448 -1.957 1.00 0.16 H new ATOM 0 HD23 LEU B 114 0.254 -6.030 -3.216 1.00 0.16 H new ATOM 852 N ASP B 115 0.570 -10.515 -3.723 1.00 0.29 N ATOM 853 CA ASP B 115 -0.412 -11.136 -4.604 1.00 0.34 C ATOM 854 C ASP B 115 -1.226 -10.063 -5.331 1.00 0.33 C ATOM 855 O ASP B 115 -1.725 -9.123 -4.709 1.00 0.29 O ATOM 856 CB ASP B 115 -1.337 -12.043 -3.789 1.00 0.37 C ATOM 857 CG ASP B 115 -2.242 -12.895 -4.655 1.00 0.49 C ATOM 858 OD1 ASP B 115 -1.988 -14.110 -4.764 1.00 1.23 O ATOM 859 OD2 ASP B 115 -3.212 -12.359 -5.219 1.00 1.21 O ATOM 0 H ASP B 115 0.350 -10.593 -2.730 1.00 0.29 H new ATOM 0 HA ASP B 115 0.109 -11.738 -5.349 1.00 0.34 H new ATOM 0 HB2 ASP B 115 -0.734 -12.692 -3.154 1.00 0.37 H new ATOM 0 HB3 ASP B 115 -1.948 -11.429 -3.127 1.00 0.37 H new ATOM 864 N PRO B 116 -1.370 -10.201 -6.659 1.00 0.41 N ATOM 865 CA PRO B 116 -2.048 -9.208 -7.509 1.00 0.46 C ATOM 866 C PRO B 116 -3.532 -9.040 -7.184 1.00 0.42 C ATOM 867 O PRO B 116 -4.154 -8.060 -7.600 1.00 0.47 O ATOM 868 CB PRO B 116 -1.872 -9.763 -8.925 1.00 0.55 C ATOM 869 CG PRO B 116 -1.654 -11.221 -8.729 1.00 0.55 C ATOM 870 CD PRO B 116 -0.875 -11.342 -7.453 1.00 0.50 C ATOM 0 HA PRO B 116 -1.624 -8.214 -7.364 1.00 0.46 H new ATOM 0 HB2 PRO B 116 -2.753 -9.572 -9.538 1.00 0.55 H new ATOM 0 HB3 PRO B 116 -1.025 -9.299 -9.431 1.00 0.55 H new ATOM 0 HG2 PRO B 116 -2.602 -11.754 -8.662 1.00 0.55 H new ATOM 0 HG3 PRO B 116 -1.105 -11.652 -9.566 1.00 0.55 H new ATOM 0 HD2 PRO B 116 -1.061 -12.293 -6.954 1.00 0.50 H new ATOM 0 HD3 PRO B 116 0.199 -11.278 -7.627 1.00 0.50 H new ATOM 878 N SER B 117 -4.099 -9.999 -6.456 1.00 0.36 N ATOM 879 CA SER B 117 -5.504 -9.935 -6.063 1.00 0.37 C ATOM 880 C SER B 117 -5.763 -8.731 -5.160 1.00 0.38 C ATOM 881 O SER B 117 -6.903 -8.281 -5.019 1.00 0.56 O ATOM 882 CB SER B 117 -5.918 -11.223 -5.351 1.00 0.37 C ATOM 883 OG SER B 117 -7.300 -11.222 -5.030 1.00 1.30 O ATOM 0 H SER B 117 -3.607 -10.829 -6.126 1.00 0.36 H new ATOM 0 HA SER B 117 -6.103 -9.823 -6.967 1.00 0.37 H new ATOM 0 HB2 SER B 117 -5.692 -12.079 -5.987 1.00 0.37 H new ATOM 0 HB3 SER B 117 -5.332 -11.340 -4.439 1.00 0.37 H new ATOM 0 HG SER B 117 -7.531 -12.060 -4.577 1.00 1.30 H new ATOM 889 N PHE B 118 -4.706 -8.215 -4.553 1.00 0.28 N ATOM 890 CA PHE B 118 -4.812 -7.029 -3.726 1.00 0.32 C ATOM 891 C PHE B 118 -4.497 -5.802 -4.564 1.00 0.44 C ATOM 892 O PHE B 118 -3.371 -5.311 -4.569 1.00 0.94 O ATOM 893 CB PHE B 118 -3.858 -7.116 -2.541 1.00 0.27 C ATOM 894 CG PHE B 118 -4.048 -8.349 -1.714 1.00 0.23 C ATOM 895 CD1 PHE B 118 -4.842 -8.322 -0.584 1.00 1.22 C ATOM 896 CD2 PHE B 118 -3.426 -9.533 -2.064 1.00 1.21 C ATOM 897 CE1 PHE B 118 -5.013 -9.456 0.182 1.00 1.21 C ATOM 898 CE2 PHE B 118 -3.593 -10.669 -1.307 1.00 1.23 C ATOM 899 CZ PHE B 118 -4.389 -10.633 -0.179 1.00 0.28 C ATOM 0 H PHE B 118 -3.764 -8.601 -4.619 1.00 0.28 H new ATOM 0 HA PHE B 118 -5.828 -6.954 -3.340 1.00 0.32 H new ATOM 0 HB2 PHE B 118 -2.832 -7.088 -2.907 1.00 0.27 H new ATOM 0 HB3 PHE B 118 -3.995 -6.239 -1.909 1.00 0.27 H new ATOM 0 HD1 PHE B 118 -5.334 -7.404 -0.298 1.00 1.22 H new ATOM 0 HD2 PHE B 118 -2.800 -9.566 -2.944 1.00 1.21 H new ATOM 0 HE1 PHE B 118 -5.635 -9.423 1.064 1.00 1.21 H new ATOM 0 HE2 PHE B 118 -3.103 -11.587 -1.594 1.00 1.23 H new ATOM 0 HZ PHE B 118 -4.523 -11.523 0.419 1.00 0.28 H new ATOM 909 N THR B 119 -5.506 -5.318 -5.273 1.00 0.39 N ATOM 910 CA THR B 119 -5.336 -4.218 -6.206 1.00 0.39 C ATOM 911 C THR B 119 -4.765 -2.977 -5.530 1.00 0.41 C ATOM 912 O THR B 119 -3.753 -2.439 -5.968 1.00 0.45 O ATOM 913 CB THR B 119 -6.673 -3.856 -6.872 1.00 0.44 C ATOM 914 OG1 THR B 119 -7.194 -4.995 -7.567 1.00 0.48 O ATOM 915 CG2 THR B 119 -6.501 -2.696 -7.843 1.00 0.45 C ATOM 0 H THR B 119 -6.460 -5.675 -5.217 1.00 0.39 H new ATOM 0 HA THR B 119 -4.627 -4.557 -6.962 1.00 0.39 H new ATOM 0 HB THR B 119 -7.372 -3.552 -6.093 1.00 0.44 H new ATOM 0 HG1 THR B 119 -8.047 -4.759 -7.988 1.00 0.48 H new ATOM 0 HG21 THR B 119 -7.461 -2.459 -8.301 1.00 0.45 H new ATOM 0 HG22 THR B 119 -6.131 -1.823 -7.305 1.00 0.45 H new ATOM 0 HG23 THR B 119 -5.788 -2.974 -8.619 1.00 0.45 H new ATOM 923 N HIS B 120 -5.412 -2.523 -4.469 1.00 0.44 N ATOM 924 CA HIS B 120 -5.014 -1.288 -3.812 1.00 0.51 C ATOM 925 C HIS B 120 -3.692 -1.451 -3.076 1.00 0.47 C ATOM 926 O HIS B 120 -2.855 -0.555 -3.099 1.00 0.57 O ATOM 927 CB HIS B 120 -6.107 -0.799 -2.869 1.00 0.60 C ATOM 928 CG HIS B 120 -7.378 -0.446 -3.581 1.00 0.92 C ATOM 929 ND1 HIS B 120 -7.409 0.262 -4.770 1.00 1.09 N ATOM 930 CD2 HIS B 120 -8.665 -0.734 -3.285 1.00 1.19 C ATOM 931 CE1 HIS B 120 -8.663 0.393 -5.165 1.00 1.40 C ATOM 932 NE2 HIS B 120 -9.441 -0.203 -4.284 1.00 1.47 N ATOM 0 H HIS B 120 -6.214 -2.990 -4.045 1.00 0.44 H new ATOM 0 HA HIS B 120 -4.869 -0.533 -4.585 1.00 0.51 H new ATOM 0 HB2 HIS B 120 -6.314 -1.572 -2.129 1.00 0.60 H new ATOM 0 HB3 HIS B 120 -5.747 0.074 -2.325 1.00 0.60 H new ATOM 0 HD2 HIS B 120 -9.017 -1.280 -2.423 1.00 1.19 H new ATOM 0 HE1 HIS B 120 -8.994 0.902 -6.058 1.00 1.40 H new ATOM 0 HE2 HIS B 120 -10.458 -0.260 -4.336 1.00 1.47 H new ATOM 941 N ALA B 121 -3.506 -2.599 -2.436 1.00 0.37 N ATOM 942 CA ALA B 121 -2.244 -2.905 -1.768 1.00 0.33 C ATOM 943 C ALA B 121 -1.097 -2.868 -2.764 1.00 0.38 C ATOM 944 O ALA B 121 -0.026 -2.328 -2.492 1.00 0.47 O ATOM 945 CB ALA B 121 -2.321 -4.264 -1.098 1.00 0.27 C ATOM 0 H ALA B 121 -4.211 -3.333 -2.365 1.00 0.37 H new ATOM 0 HA ALA B 121 -2.061 -2.151 -1.003 1.00 0.33 H new ATOM 0 HB1 ALA B 121 -1.374 -4.480 -0.604 1.00 0.27 H new ATOM 0 HB2 ALA B 121 -3.123 -4.261 -0.360 1.00 0.27 H new ATOM 0 HB3 ALA B 121 -2.521 -5.029 -1.848 1.00 0.27 H new ATOM 951 N MET B 122 -1.360 -3.422 -3.932 1.00 0.35 N ATOM 952 CA MET B 122 -0.396 -3.431 -5.019 1.00 0.34 C ATOM 953 C MET B 122 -0.216 -2.032 -5.594 1.00 0.38 C ATOM 954 O MET B 122 0.893 -1.619 -5.938 1.00 0.41 O ATOM 955 CB MET B 122 -0.856 -4.402 -6.106 1.00 0.37 C ATOM 956 CG MET B 122 -0.541 -5.857 -5.806 1.00 0.38 C ATOM 957 SD MET B 122 1.078 -6.371 -6.422 1.00 0.49 S ATOM 958 CE MET B 122 2.146 -5.164 -5.647 1.00 0.63 C ATOM 0 H MET B 122 -2.245 -3.878 -4.155 1.00 0.35 H new ATOM 0 HA MET B 122 0.568 -3.761 -4.631 1.00 0.34 H new ATOM 0 HB2 MET B 122 -1.932 -4.294 -6.244 1.00 0.37 H new ATOM 0 HB3 MET B 122 -0.385 -4.126 -7.049 1.00 0.37 H new ATOM 0 HG2 MET B 122 -0.581 -6.017 -4.729 1.00 0.38 H new ATOM 0 HG3 MET B 122 -1.310 -6.489 -6.251 1.00 0.38 H new ATOM 0 HE1 MET B 122 3.178 -5.344 -5.949 1.00 0.63 H new ATOM 0 HE2 MET B 122 1.847 -4.162 -5.955 1.00 0.63 H new ATOM 0 HE3 MET B 122 2.065 -5.249 -4.563 1.00 0.63 H new ATOM 968 N GLN B 123 -1.318 -1.308 -5.671 1.00 0.44 N ATOM 969 CA GLN B 123 -1.318 0.036 -6.223 1.00 0.53 C ATOM 970 C GLN B 123 -0.580 1.019 -5.316 1.00 0.54 C ATOM 971 O GLN B 123 0.225 1.820 -5.794 1.00 0.62 O ATOM 972 CB GLN B 123 -2.755 0.477 -6.495 1.00 0.65 C ATOM 973 CG GLN B 123 -2.937 1.963 -6.717 1.00 0.83 C ATOM 974 CD GLN B 123 -4.381 2.312 -7.009 1.00 1.12 C ATOM 975 OE1 GLN B 123 -5.306 1.664 -6.502 1.00 1.60 O ATOM 976 NE2 GLN B 123 -4.587 3.320 -7.837 1.00 1.76 N ATOM 0 H GLN B 123 -2.232 -1.631 -5.355 1.00 0.44 H new ATOM 0 HA GLN B 123 -0.775 0.027 -7.168 1.00 0.53 H new ATOM 0 HB2 GLN B 123 -3.122 -0.054 -7.373 1.00 0.65 H new ATOM 0 HB3 GLN B 123 -3.378 0.171 -5.654 1.00 0.65 H new ATOM 0 HG2 GLN B 123 -2.603 2.507 -5.833 1.00 0.83 H new ATOM 0 HG3 GLN B 123 -2.309 2.287 -7.547 1.00 0.83 H new ATOM 0 HE21 GLN B 123 -3.794 3.826 -8.231 1.00 1.76 H new ATOM 0 HE22 GLN B 123 -5.539 3.592 -8.082 1.00 1.76 H new ATOM 985 N LEU B 124 -0.823 0.950 -4.017 1.00 0.49 N ATOM 986 CA LEU B 124 -0.185 1.870 -3.086 1.00 0.50 C ATOM 987 C LEU B 124 1.320 1.614 -3.014 1.00 0.45 C ATOM 988 O LEU B 124 2.109 2.551 -2.896 1.00 0.52 O ATOM 989 CB LEU B 124 -0.852 1.793 -1.716 1.00 0.50 C ATOM 990 CG LEU B 124 -2.325 2.206 -1.713 1.00 0.56 C ATOM 991 CD1 LEU B 124 -3.010 1.738 -0.439 1.00 0.49 C ATOM 992 CD2 LEU B 124 -2.453 3.715 -1.858 1.00 0.83 C ATOM 0 H LEU B 124 -1.452 0.273 -3.585 1.00 0.49 H new ATOM 0 HA LEU B 124 -0.316 2.888 -3.452 1.00 0.50 H new ATOM 0 HB2 LEU B 124 -0.771 0.772 -1.342 1.00 0.50 H new ATOM 0 HB3 LEU B 124 -0.306 2.431 -1.022 1.00 0.50 H new ATOM 0 HG LEU B 124 -2.816 1.731 -2.562 1.00 0.56 H new ATOM 0 HD11 LEU B 124 -4.057 2.042 -0.456 1.00 0.49 H new ATOM 0 HD12 LEU B 124 -2.948 0.652 -0.371 1.00 0.49 H new ATOM 0 HD13 LEU B 124 -2.517 2.185 0.424 1.00 0.49 H new ATOM 0 HD21 LEU B 124 -3.507 3.993 -1.854 1.00 0.83 H new ATOM 0 HD22 LEU B 124 -1.946 4.205 -1.027 1.00 0.83 H new ATOM 0 HD23 LEU B 124 -1.998 4.030 -2.797 1.00 0.83 H new ATOM 1004 N LEU B 125 1.705 0.340 -3.115 1.00 0.37 N ATOM 1005 CA LEU B 125 3.121 -0.032 -3.163 1.00 0.35 C ATOM 1006 C LEU B 125 3.756 0.552 -4.414 1.00 0.46 C ATOM 1007 O LEU B 125 4.888 1.028 -4.389 1.00 0.52 O ATOM 1008 CB LEU B 125 3.290 -1.556 -3.187 1.00 0.28 C ATOM 1009 CG LEU B 125 3.239 -2.260 -1.839 1.00 0.25 C ATOM 1010 CD1 LEU B 125 3.149 -3.755 -2.056 1.00 0.21 C ATOM 1011 CD2 LEU B 125 4.476 -1.924 -1.019 1.00 0.33 C ATOM 0 H LEU B 125 1.060 -0.448 -3.165 1.00 0.37 H new ATOM 0 HA LEU B 125 3.607 0.362 -2.270 1.00 0.35 H new ATOM 0 HB2 LEU B 125 2.511 -1.977 -3.823 1.00 0.28 H new ATOM 0 HB3 LEU B 125 4.245 -1.787 -3.658 1.00 0.28 H new ATOM 0 HG LEU B 125 2.360 -1.920 -1.291 1.00 0.25 H new ATOM 0 HD11 LEU B 125 3.112 -4.261 -1.091 1.00 0.21 H new ATOM 0 HD12 LEU B 125 2.247 -3.987 -2.622 1.00 0.21 H new ATOM 0 HD13 LEU B 125 4.023 -4.095 -2.611 1.00 0.21 H new ATOM 0 HD21 LEU B 125 4.425 -2.435 -0.058 1.00 0.33 H new ATOM 0 HD22 LEU B 125 5.367 -2.249 -1.556 1.00 0.33 H new ATOM 0 HD23 LEU B 125 4.523 -0.847 -0.856 1.00 0.33 H new ATOM 1023 N THR B 126 2.998 0.527 -5.496 1.00 0.55 N ATOM 1024 CA THR B 126 3.495 1.013 -6.768 1.00 0.74 C ATOM 1025 C THR B 126 3.680 2.529 -6.725 1.00 0.92 C ATOM 1026 O THR B 126 4.724 3.056 -7.116 1.00 1.07 O ATOM 1027 CB THR B 126 2.535 0.629 -7.909 1.00 0.81 C ATOM 1028 OG1 THR B 126 2.446 -0.801 -8.007 1.00 0.86 O ATOM 1029 CG2 THR B 126 2.993 1.221 -9.236 1.00 0.91 C ATOM 0 H THR B 126 2.040 0.177 -5.518 1.00 0.55 H new ATOM 0 HA THR B 126 4.462 0.547 -6.956 1.00 0.74 H new ATOM 0 HB THR B 126 1.550 1.038 -7.683 1.00 0.81 H new ATOM 0 HG1 THR B 126 1.770 -1.131 -7.379 1.00 0.86 H new ATOM 0 HG21 THR B 126 2.296 0.933 -10.023 1.00 0.91 H new ATOM 0 HG22 THR B 126 3.024 2.308 -9.158 1.00 0.91 H new ATOM 0 HG23 THR B 126 3.988 0.846 -9.478 1.00 0.91 H new ATOM 1037 N ALA B 127 2.669 3.215 -6.206 1.00 0.96 N ATOM 1038 CA ALA B 127 2.667 4.668 -6.145 1.00 1.09 C ATOM 1039 C ALA B 127 3.801 5.208 -5.279 1.00 1.18 C ATOM 1040 O ALA B 127 4.475 6.166 -5.654 1.00 1.38 O ATOM 1041 CB ALA B 127 1.325 5.150 -5.619 1.00 1.18 C ATOM 0 H ALA B 127 1.832 2.780 -5.818 1.00 0.96 H new ATOM 0 HA ALA B 127 2.827 5.048 -7.154 1.00 1.09 H new ATOM 0 HB1 ALA B 127 1.322 6.239 -5.573 1.00 1.18 H new ATOM 0 HB2 ALA B 127 0.531 4.813 -6.285 1.00 1.18 H new ATOM 0 HB3 ALA B 127 1.158 4.744 -4.621 1.00 1.18 H new ATOM 1047 N GLU B 128 4.001 4.598 -4.110 1.00 1.12 N ATOM 1048 CA GLU B 128 5.055 5.031 -3.192 1.00 1.31 C ATOM 1049 C GLU B 128 6.426 4.894 -3.845 1.00 1.38 C ATOM 1050 O GLU B 128 7.303 5.741 -3.670 1.00 1.62 O ATOM 1051 CB GLU B 128 5.010 4.216 -1.903 1.00 1.35 C ATOM 1052 CG GLU B 128 5.965 4.715 -0.832 1.00 1.46 C ATOM 1053 CD GLU B 128 5.614 6.097 -0.320 1.00 1.46 C ATOM 1054 OE1 GLU B 128 6.192 7.087 -0.812 1.00 2.01 O ATOM 1055 OE2 GLU B 128 4.771 6.196 0.592 1.00 1.95 O ATOM 0 H GLU B 128 3.450 3.807 -3.778 1.00 1.12 H new ATOM 0 HA GLU B 128 4.885 6.080 -2.952 1.00 1.31 H new ATOM 0 HB2 GLU B 128 3.994 4.233 -1.508 1.00 1.35 H new ATOM 0 HB3 GLU B 128 5.246 3.177 -2.132 1.00 1.35 H new ATOM 0 HG2 GLU B 128 5.964 4.014 0.003 1.00 1.46 H new ATOM 0 HG3 GLU B 128 6.978 4.730 -1.235 1.00 1.46 H new ATOM 1062 N ILE B 129 6.587 3.834 -4.623 1.00 1.24 N ATOM 1063 CA ILE B 129 7.825 3.612 -5.344 1.00 1.42 C ATOM 1064 C ILE B 129 8.045 4.722 -6.364 1.00 1.64 C ATOM 1065 O ILE B 129 9.152 5.245 -6.499 1.00 1.92 O ATOM 1066 CB ILE B 129 7.840 2.229 -6.027 1.00 1.32 C ATOM 1067 CG1 ILE B 129 7.877 1.143 -4.955 1.00 1.14 C ATOM 1068 CG2 ILE B 129 9.030 2.094 -6.969 1.00 1.59 C ATOM 1069 CD1 ILE B 129 7.696 -0.255 -5.487 1.00 1.01 C ATOM 0 H ILE B 129 5.876 3.117 -4.769 1.00 1.24 H new ATOM 0 HA ILE B 129 8.644 3.629 -4.625 1.00 1.42 H new ATOM 0 HB ILE B 129 6.936 2.119 -6.626 1.00 1.32 H new ATOM 0 HG12 ILE B 129 8.830 1.199 -4.429 1.00 1.14 H new ATOM 0 HG13 ILE B 129 7.096 1.345 -4.222 1.00 1.14 H new ATOM 0 HG21 ILE B 129 9.014 1.109 -7.436 1.00 1.59 H new ATOM 0 HG22 ILE B 129 8.973 2.862 -7.740 1.00 1.59 H new ATOM 0 HG23 ILE B 129 9.955 2.214 -6.406 1.00 1.59 H new ATOM 0 HD11 ILE B 129 7.735 -0.966 -4.662 1.00 1.01 H new ATOM 0 HD12 ILE B 129 6.731 -0.332 -5.987 1.00 1.01 H new ATOM 0 HD13 ILE B 129 8.491 -0.480 -6.198 1.00 1.01 H new