USER MOD reduce.3.24.130724 H: found=0, std=0, add=449, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 452 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 179 SER OG : rot 180:sc= 0.0999 USER MOD Set 1.2: A 180 GLN :FLIP amide:sc= -3.02 F(o=-6.6!,f=-2.9) USER MOD Set 2.1: A 136 GLN : amide:sc= 0.506 K(o=1.1,f=0) USER MOD Set 2.2: A 150 THR OG1 : rot -57:sc= 0.556 USER MOD Set 2.3: A 164 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 128 GLN : amide:sc= -2.71! C(o=-2.7!,f=-14!) USER MOD Single : A 141 SER OG : rot 180:sc= 0 USER MOD Single : A 148 THR OG1 : rot 180:sc= 0 USER MOD Single : A 152 THR OG1 : rot 180:sc= -0.0293 USER MOD Single : A 155 ASN : amide:sc= -0.687 K(o=-0.69,f=-3.9!) USER MOD Single : A 160 LYS NZ :NH3+ -127:sc= 0 (180deg=-0.887) USER MOD Single : A 162 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 166 THR OG1 : rot 180:sc= 0 USER MOD Single : A 172 THR OG1 : rot -19:sc= 0.668 USER MOD Single : A 183 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 127 -1.875 -16.177 -3.796 1.00 0.00 N ATOM 2 CA ALA A 127 -3.289 -16.167 -3.339 1.00 0.00 C ATOM 3 C ALA A 127 -3.844 -14.747 -3.308 1.00 0.00 C ATOM 4 O ALA A 127 -3.097 -13.776 -3.425 1.00 0.00 O ATOM 5 CB ALA A 127 -3.402 -16.809 -1.964 1.00 0.00 C ATOM 0 HA ALA A 127 -3.880 -16.746 -4.049 1.00 0.00 H new ATOM 0 HB1 ALA A 127 -4.443 -16.795 -1.641 1.00 0.00 H new ATOM 0 HB2 ALA A 127 -3.051 -17.840 -2.014 1.00 0.00 H new ATOM 0 HB3 ALA A 127 -2.793 -16.252 -1.251 1.00 0.00 H new ATOM 13 N GLN A 128 -5.158 -14.635 -3.148 1.00 0.00 N ATOM 14 CA GLN A 128 -5.814 -13.334 -3.100 1.00 0.00 C ATOM 15 C GLN A 128 -5.593 -12.566 -4.400 1.00 0.00 C ATOM 16 O GLN A 128 -4.822 -12.989 -5.260 1.00 0.00 O ATOM 17 CB GLN A 128 -5.289 -12.518 -1.917 1.00 0.00 C ATOM 18 CG GLN A 128 -6.368 -11.721 -1.201 1.00 0.00 C ATOM 19 CD GLN A 128 -5.907 -10.328 -0.822 1.00 0.00 C ATOM 20 OE1 GLN A 128 -5.731 -9.463 -1.681 1.00 0.00 O ATOM 21 NE2 GLN A 128 -5.708 -10.102 0.471 1.00 0.00 N ATOM 0 H GLN A 128 -5.790 -15.430 -3.049 1.00 0.00 H new ATOM 0 HA GLN A 128 -6.884 -13.498 -2.973 1.00 0.00 H new ATOM 0 HB2 GLN A 128 -4.813 -13.192 -1.204 1.00 0.00 H new ATOM 0 HB3 GLN A 128 -4.518 -11.834 -2.272 1.00 0.00 H new ATOM 0 HG2 GLN A 128 -7.246 -11.647 -1.842 1.00 0.00 H new ATOM 0 HG3 GLN A 128 -6.674 -12.256 -0.302 1.00 0.00 H new ATOM 0 HE21 GLN A 128 -5.866 -10.847 1.149 1.00 0.00 H new ATOM 0 HE22 GLN A 128 -5.397 -9.183 0.786 1.00 0.00 H new ATOM 30 N VAL A 129 -6.277 -11.433 -4.536 1.00 0.00 N ATOM 31 CA VAL A 129 -6.155 -10.607 -5.730 1.00 0.00 C ATOM 32 C VAL A 129 -5.449 -9.292 -5.419 1.00 0.00 C ATOM 33 O VAL A 129 -4.736 -8.744 -6.261 1.00 0.00 O ATOM 34 CB VAL A 129 -7.534 -10.300 -6.344 1.00 0.00 C ATOM 35 CG1 VAL A 129 -8.132 -11.552 -6.968 1.00 0.00 C ATOM 36 CG2 VAL A 129 -8.469 -9.720 -5.294 1.00 0.00 C ATOM 0 H VAL A 129 -6.920 -11.068 -3.834 1.00 0.00 H new ATOM 0 HA VAL A 129 -5.563 -11.175 -6.447 1.00 0.00 H new ATOM 0 HB VAL A 129 -7.403 -9.557 -7.131 1.00 0.00 H new ATOM 0 HG11 VAL A 129 -9.106 -11.315 -7.396 1.00 0.00 H new ATOM 0 HG12 VAL A 129 -7.470 -11.919 -7.752 1.00 0.00 H new ATOM 0 HG13 VAL A 129 -8.249 -12.320 -6.203 1.00 0.00 H new ATOM 0 HG21 VAL A 129 -9.438 -9.509 -5.746 1.00 0.00 H new ATOM 0 HG22 VAL A 129 -8.595 -10.437 -4.483 1.00 0.00 H new ATOM 0 HG23 VAL A 129 -8.045 -8.797 -4.899 1.00 0.00 H new ATOM 46 N ALA A 130 -5.649 -8.792 -4.205 1.00 0.00 N ATOM 47 CA ALA A 130 -5.030 -7.541 -3.782 1.00 0.00 C ATOM 48 C ALA A 130 -3.646 -7.786 -3.189 1.00 0.00 C ATOM 49 O ALA A 130 -3.159 -8.917 -3.171 1.00 0.00 O ATOM 50 CB ALA A 130 -5.919 -6.828 -2.774 1.00 0.00 C ATOM 0 H ALA A 130 -6.235 -9.233 -3.496 1.00 0.00 H new ATOM 0 HA ALA A 130 -4.913 -6.907 -4.661 1.00 0.00 H new ATOM 0 HB1 ALA A 130 -5.445 -5.896 -2.466 1.00 0.00 H new ATOM 0 HB2 ALA A 130 -6.885 -6.611 -3.230 1.00 0.00 H new ATOM 0 HB3 ALA A 130 -6.065 -7.466 -1.902 1.00 0.00 H new ATOM 56 N PHE A 131 -3.019 -6.719 -2.705 1.00 0.00 N ATOM 57 CA PHE A 131 -1.690 -6.818 -2.113 1.00 0.00 C ATOM 58 C PHE A 131 -1.782 -7.007 -0.602 1.00 0.00 C ATOM 59 O PHE A 131 -2.874 -7.044 -0.036 1.00 0.00 O ATOM 60 CB PHE A 131 -0.870 -5.567 -2.434 1.00 0.00 C ATOM 61 CG PHE A 131 -1.497 -4.295 -1.937 1.00 0.00 C ATOM 62 CD1 PHE A 131 -1.535 -4.009 -0.582 1.00 0.00 C ATOM 63 CD2 PHE A 131 -2.050 -3.387 -2.827 1.00 0.00 C ATOM 64 CE1 PHE A 131 -2.110 -2.840 -0.123 1.00 0.00 C ATOM 65 CE2 PHE A 131 -2.628 -2.216 -2.373 1.00 0.00 C ATOM 66 CZ PHE A 131 -2.657 -1.942 -1.020 1.00 0.00 C ATOM 0 H PHE A 131 -3.409 -5.777 -2.711 1.00 0.00 H new ATOM 0 HA PHE A 131 -1.192 -7.688 -2.541 1.00 0.00 H new ATOM 0 HB2 PHE A 131 0.122 -5.670 -1.994 1.00 0.00 H new ATOM 0 HB3 PHE A 131 -0.734 -5.498 -3.513 1.00 0.00 H new ATOM 0 HD1 PHE A 131 -1.110 -4.708 0.123 1.00 0.00 H new ATOM 0 HD2 PHE A 131 -2.029 -3.597 -3.886 1.00 0.00 H new ATOM 0 HE1 PHE A 131 -2.132 -2.628 0.936 1.00 0.00 H new ATOM 0 HE2 PHE A 131 -3.056 -1.517 -3.076 1.00 0.00 H new ATOM 0 HZ PHE A 131 -3.107 -1.027 -0.663 1.00 0.00 H new ATOM 76 N ARG A 132 -0.627 -7.126 0.046 1.00 0.00 N ATOM 77 CA ARG A 132 -0.577 -7.309 1.491 1.00 0.00 C ATOM 78 C ARG A 132 0.033 -6.090 2.175 1.00 0.00 C ATOM 79 O ARG A 132 0.620 -5.229 1.520 1.00 0.00 O ATOM 80 CB ARG A 132 0.231 -8.562 1.839 1.00 0.00 C ATOM 81 CG ARG A 132 -0.328 -9.338 3.021 1.00 0.00 C ATOM 82 CD ARG A 132 -0.510 -10.810 2.689 1.00 0.00 C ATOM 83 NE ARG A 132 -1.656 -11.036 1.810 1.00 0.00 N ATOM 84 CZ ARG A 132 -1.954 -12.215 1.268 1.00 0.00 C ATOM 85 NH1 ARG A 132 -1.195 -13.277 1.512 1.00 0.00 N ATOM 86 NH2 ARG A 132 -3.014 -12.332 0.480 1.00 0.00 N ATOM 0 H ARG A 132 0.286 -7.099 -0.408 1.00 0.00 H new ATOM 0 HA ARG A 132 -1.598 -7.431 1.852 1.00 0.00 H new ATOM 0 HB2 ARG A 132 0.264 -9.217 0.968 1.00 0.00 H new ATOM 0 HB3 ARG A 132 1.259 -8.272 2.059 1.00 0.00 H new ATOM 0 HG2 ARG A 132 0.344 -9.237 3.873 1.00 0.00 H new ATOM 0 HG3 ARG A 132 -1.286 -8.910 3.318 1.00 0.00 H new ATOM 0 HD2 ARG A 132 0.394 -11.188 2.211 1.00 0.00 H new ATOM 0 HD3 ARG A 132 -0.643 -11.376 3.611 1.00 0.00 H new ATOM 0 HE ARG A 132 -2.263 -10.244 1.600 1.00 0.00 H new ATOM 0 HH11 ARG A 132 -0.379 -13.192 2.118 1.00 0.00 H new ATOM 0 HH12 ARG A 132 -1.428 -14.178 1.094 1.00 0.00 H new ATOM 0 HH21 ARG A 132 -3.600 -11.519 0.290 1.00 0.00 H new ATOM 0 HH22 ARG A 132 -3.243 -13.235 0.064 1.00 0.00 H new ATOM 100 N GLU A 133 -0.107 -6.025 3.495 1.00 0.00 N ATOM 101 CA GLU A 133 0.431 -4.911 4.267 1.00 0.00 C ATOM 102 C GLU A 133 1.943 -4.807 4.093 1.00 0.00 C ATOM 103 O GLU A 133 2.680 -5.742 4.412 1.00 0.00 O ATOM 104 CB GLU A 133 0.088 -5.076 5.748 1.00 0.00 C ATOM 105 CG GLU A 133 0.329 -6.481 6.276 1.00 0.00 C ATOM 106 CD GLU A 133 -0.949 -7.295 6.373 1.00 0.00 C ATOM 107 OE1 GLU A 133 -1.917 -6.806 6.990 1.00 0.00 O ATOM 108 OE2 GLU A 133 -0.977 -8.420 5.833 1.00 0.00 O ATOM 0 H GLU A 133 -0.588 -6.731 4.052 1.00 0.00 H new ATOM 0 HA GLU A 133 -0.024 -3.993 3.896 1.00 0.00 H new ATOM 0 HB2 GLU A 133 0.682 -4.371 6.330 1.00 0.00 H new ATOM 0 HB3 GLU A 133 -0.959 -4.814 5.901 1.00 0.00 H new ATOM 0 HG2 GLU A 133 1.034 -6.995 5.623 1.00 0.00 H new ATOM 0 HG3 GLU A 133 0.793 -6.421 7.261 1.00 0.00 H new ATOM 115 N GLY A 134 2.399 -3.668 3.584 1.00 0.00 N ATOM 116 CA GLY A 134 3.821 -3.464 3.375 1.00 0.00 C ATOM 117 C GLY A 134 4.161 -3.161 1.928 1.00 0.00 C ATOM 118 O GLY A 134 5.227 -2.618 1.638 1.00 0.00 O ATOM 0 H GLY A 134 1.809 -2.882 3.312 1.00 0.00 H new ATOM 0 HA2 GLY A 134 4.163 -2.642 4.004 1.00 0.00 H new ATOM 0 HA3 GLY A 134 4.363 -4.355 3.693 1.00 0.00 H new ATOM 122 N ASP A 135 3.258 -3.515 1.018 1.00 0.00 N ATOM 123 CA ASP A 135 3.472 -3.277 -0.406 1.00 0.00 C ATOM 124 C ASP A 135 3.757 -1.803 -0.677 1.00 0.00 C ATOM 125 O ASP A 135 3.810 -0.991 0.246 1.00 0.00 O ATOM 126 CB ASP A 135 2.249 -3.728 -1.207 1.00 0.00 C ATOM 127 CG ASP A 135 2.628 -4.369 -2.528 1.00 0.00 C ATOM 128 OD1 ASP A 135 2.774 -3.634 -3.527 1.00 0.00 O ATOM 129 OD2 ASP A 135 2.780 -5.609 -2.563 1.00 0.00 O ATOM 0 H ASP A 135 2.372 -3.967 1.241 1.00 0.00 H new ATOM 0 HA ASP A 135 4.339 -3.858 -0.720 1.00 0.00 H new ATOM 0 HB2 ASP A 135 1.671 -4.437 -0.614 1.00 0.00 H new ATOM 0 HB3 ASP A 135 1.604 -2.870 -1.395 1.00 0.00 H new ATOM 134 N GLN A 136 3.945 -1.465 -1.948 1.00 0.00 N ATOM 135 CA GLN A 136 4.228 -0.089 -2.339 1.00 0.00 C ATOM 136 C GLN A 136 3.344 0.345 -3.503 1.00 0.00 C ATOM 137 O GLN A 136 3.156 -0.401 -4.465 1.00 0.00 O ATOM 138 CB GLN A 136 5.702 0.062 -2.721 1.00 0.00 C ATOM 139 CG GLN A 136 6.657 -0.589 -1.733 1.00 0.00 C ATOM 140 CD GLN A 136 7.727 0.364 -1.239 1.00 0.00 C ATOM 141 OE1 GLN A 136 7.573 1.002 -0.196 1.00 0.00 O ATOM 142 NE2 GLN A 136 8.820 0.467 -1.984 1.00 0.00 N ATOM 0 H GLN A 136 3.907 -2.125 -2.725 1.00 0.00 H new ATOM 0 HA GLN A 136 4.011 0.553 -1.485 1.00 0.00 H new ATOM 0 HB2 GLN A 136 5.860 -0.375 -3.707 1.00 0.00 H new ATOM 0 HB3 GLN A 136 5.941 1.122 -2.800 1.00 0.00 H new ATOM 0 HG2 GLN A 136 6.091 -0.966 -0.881 1.00 0.00 H new ATOM 0 HG3 GLN A 136 7.132 -1.449 -2.206 1.00 0.00 H new ATOM 0 HE21 GLN A 136 8.907 -0.080 -2.841 1.00 0.00 H new ATOM 0 HE22 GLN A 136 9.574 1.093 -1.700 1.00 0.00 H new ATOM 151 N VAL A 137 2.806 1.556 -3.409 1.00 0.00 N ATOM 152 CA VAL A 137 1.942 2.094 -4.453 1.00 0.00 C ATOM 153 C VAL A 137 2.242 3.570 -4.697 1.00 0.00 C ATOM 154 O VAL A 137 2.620 4.293 -3.777 1.00 0.00 O ATOM 155 CB VAL A 137 0.454 1.938 -4.087 1.00 0.00 C ATOM 156 CG1 VAL A 137 0.070 0.467 -4.033 1.00 0.00 C ATOM 157 CG2 VAL A 137 0.156 2.624 -2.763 1.00 0.00 C ATOM 0 H VAL A 137 2.953 2.184 -2.619 1.00 0.00 H new ATOM 0 HA VAL A 137 2.144 1.526 -5.361 1.00 0.00 H new ATOM 0 HB VAL A 137 -0.145 2.418 -4.861 1.00 0.00 H new ATOM 0 HG11 VAL A 137 -0.985 0.376 -3.773 1.00 0.00 H new ATOM 0 HG12 VAL A 137 0.245 0.009 -5.007 1.00 0.00 H new ATOM 0 HG13 VAL A 137 0.674 -0.039 -3.280 1.00 0.00 H new ATOM 0 HG21 VAL A 137 -0.900 2.504 -2.520 1.00 0.00 H new ATOM 0 HG22 VAL A 137 0.763 2.176 -1.976 1.00 0.00 H new ATOM 0 HG23 VAL A 137 0.391 3.685 -2.842 1.00 0.00 H new ATOM 167 N ARG A 138 2.072 4.011 -5.940 1.00 0.00 N ATOM 168 CA ARG A 138 2.332 5.403 -6.297 1.00 0.00 C ATOM 169 C ARG A 138 1.164 6.298 -5.896 1.00 0.00 C ATOM 170 O ARG A 138 0.069 5.817 -5.602 1.00 0.00 O ATOM 171 CB ARG A 138 2.602 5.532 -7.799 1.00 0.00 C ATOM 172 CG ARG A 138 3.912 6.233 -8.126 1.00 0.00 C ATOM 173 CD ARG A 138 4.624 5.567 -9.293 1.00 0.00 C ATOM 174 NE ARG A 138 4.220 6.135 -10.577 1.00 0.00 N ATOM 175 CZ ARG A 138 4.377 5.517 -11.746 1.00 0.00 C ATOM 176 NH1 ARG A 138 4.933 4.312 -11.798 1.00 0.00 N ATOM 177 NH2 ARG A 138 3.979 6.106 -12.865 1.00 0.00 N ATOM 0 H ARG A 138 1.757 3.427 -6.715 1.00 0.00 H new ATOM 0 HA ARG A 138 3.217 5.728 -5.751 1.00 0.00 H new ATOM 0 HB2 ARG A 138 2.611 4.537 -8.244 1.00 0.00 H new ATOM 0 HB3 ARG A 138 1.781 6.081 -8.261 1.00 0.00 H new ATOM 0 HG2 ARG A 138 3.717 7.278 -8.366 1.00 0.00 H new ATOM 0 HG3 ARG A 138 4.560 6.223 -7.250 1.00 0.00 H new ATOM 0 HD2 ARG A 138 5.702 5.677 -9.171 1.00 0.00 H new ATOM 0 HD3 ARG A 138 4.410 4.498 -9.286 1.00 0.00 H new ATOM 0 HE ARG A 138 3.792 7.061 -10.578 1.00 0.00 H new ATOM 0 HH11 ARG A 138 5.242 3.855 -10.940 1.00 0.00 H new ATOM 0 HH12 ARG A 138 5.051 3.843 -12.696 1.00 0.00 H new ATOM 0 HH21 ARG A 138 3.553 7.032 -12.830 1.00 0.00 H new ATOM 0 HH22 ARG A 138 4.099 5.633 -13.761 1.00 0.00 H new ATOM 191 N VAL A 139 1.412 7.602 -5.881 1.00 0.00 N ATOM 192 CA VAL A 139 0.393 8.579 -5.511 1.00 0.00 C ATOM 193 C VAL A 139 -0.562 8.858 -6.673 1.00 0.00 C ATOM 194 O VAL A 139 -0.178 8.777 -7.839 1.00 0.00 O ATOM 195 CB VAL A 139 1.042 9.897 -5.055 1.00 0.00 C ATOM 196 CG1 VAL A 139 -0.008 10.874 -4.552 1.00 0.00 C ATOM 197 CG2 VAL A 139 2.095 9.633 -3.987 1.00 0.00 C ATOM 0 H VAL A 139 2.315 8.010 -6.122 1.00 0.00 H new ATOM 0 HA VAL A 139 -0.178 8.153 -4.686 1.00 0.00 H new ATOM 0 HB VAL A 139 1.535 10.350 -5.915 1.00 0.00 H new ATOM 0 HG11 VAL A 139 0.476 11.798 -4.236 1.00 0.00 H new ATOM 0 HG12 VAL A 139 -0.716 11.091 -5.352 1.00 0.00 H new ATOM 0 HG13 VAL A 139 -0.539 10.435 -3.707 1.00 0.00 H new ATOM 0 HG21 VAL A 139 2.543 10.577 -3.677 1.00 0.00 H new ATOM 0 HG22 VAL A 139 1.628 9.153 -3.127 1.00 0.00 H new ATOM 0 HG23 VAL A 139 2.868 8.980 -4.392 1.00 0.00 H new ATOM 207 N VAL A 140 -1.811 9.180 -6.338 1.00 0.00 N ATOM 208 CA VAL A 140 -2.834 9.462 -7.343 1.00 0.00 C ATOM 209 C VAL A 140 -2.884 10.945 -7.716 1.00 0.00 C ATOM 210 O VAL A 140 -3.411 11.309 -8.768 1.00 0.00 O ATOM 211 CB VAL A 140 -4.227 9.040 -6.841 1.00 0.00 C ATOM 212 CG1 VAL A 140 -4.594 9.812 -5.580 1.00 0.00 C ATOM 213 CG2 VAL A 140 -5.275 9.245 -7.926 1.00 0.00 C ATOM 0 H VAL A 140 -2.139 9.252 -5.375 1.00 0.00 H new ATOM 0 HA VAL A 140 -2.561 8.885 -8.227 1.00 0.00 H new ATOM 0 HB VAL A 140 -4.199 7.978 -6.596 1.00 0.00 H new ATOM 0 HG11 VAL A 140 -5.581 9.502 -5.238 1.00 0.00 H new ATOM 0 HG12 VAL A 140 -3.859 9.607 -4.801 1.00 0.00 H new ATOM 0 HG13 VAL A 140 -4.604 10.880 -5.797 1.00 0.00 H new ATOM 0 HG21 VAL A 140 -6.252 8.941 -7.550 1.00 0.00 H new ATOM 0 HG22 VAL A 140 -5.306 10.298 -8.207 1.00 0.00 H new ATOM 0 HG23 VAL A 140 -5.018 8.644 -8.798 1.00 0.00 H new ATOM 223 N SER A 141 -2.354 11.798 -6.847 1.00 0.00 N ATOM 224 CA SER A 141 -2.366 13.237 -7.092 1.00 0.00 C ATOM 225 C SER A 141 -1.265 13.638 -8.067 1.00 0.00 C ATOM 226 O SER A 141 -0.237 12.972 -8.167 1.00 0.00 O ATOM 227 CB SER A 141 -2.202 13.998 -5.775 1.00 0.00 C ATOM 228 OG SER A 141 -3.445 14.507 -5.323 1.00 0.00 O ATOM 0 H SER A 141 -1.912 11.521 -5.970 1.00 0.00 H new ATOM 0 HA SER A 141 -3.326 13.495 -7.538 1.00 0.00 H new ATOM 0 HB2 SER A 141 -1.780 13.336 -5.019 1.00 0.00 H new ATOM 0 HB3 SER A 141 -1.497 14.818 -5.910 1.00 0.00 H new ATOM 0 HG SER A 141 -3.314 14.988 -4.479 1.00 0.00 H new ATOM 234 N GLY A 142 -1.496 14.732 -8.789 1.00 0.00 N ATOM 235 CA GLY A 142 -0.522 15.209 -9.754 1.00 0.00 C ATOM 236 C GLY A 142 0.769 15.672 -9.109 1.00 0.00 C ATOM 237 O GLY A 142 1.826 15.089 -9.351 1.00 0.00 O ATOM 0 H GLY A 142 -2.343 15.297 -8.722 1.00 0.00 H new ATOM 0 HA2 GLY A 142 -0.302 14.412 -10.465 1.00 0.00 H new ATOM 0 HA3 GLY A 142 -0.954 16.033 -10.322 1.00 0.00 H new ATOM 241 N PRO A 143 0.721 16.724 -8.274 1.00 0.00 N ATOM 242 CA PRO A 143 1.909 17.252 -7.596 1.00 0.00 C ATOM 243 C PRO A 143 2.661 16.174 -6.821 1.00 0.00 C ATOM 244 O PRO A 143 3.853 16.310 -6.547 1.00 0.00 O ATOM 245 CB PRO A 143 1.350 18.314 -6.637 1.00 0.00 C ATOM 246 CG PRO A 143 -0.124 18.077 -6.592 1.00 0.00 C ATOM 247 CD PRO A 143 -0.487 17.481 -7.920 1.00 0.00 C ATOM 0 HA PRO A 143 2.632 17.651 -8.307 1.00 0.00 H new ATOM 0 HB2 PRO A 143 1.793 18.219 -5.646 1.00 0.00 H new ATOM 0 HB3 PRO A 143 1.575 19.320 -6.992 1.00 0.00 H new ATOM 0 HG2 PRO A 143 -0.386 17.403 -5.777 1.00 0.00 H new ATOM 0 HG3 PRO A 143 -0.664 19.008 -6.421 1.00 0.00 H new ATOM 0 HD2 PRO A 143 -1.363 16.836 -7.849 1.00 0.00 H new ATOM 0 HD3 PRO A 143 -0.715 18.248 -8.660 1.00 0.00 H new ATOM 255 N PHE A 144 1.956 15.103 -6.470 1.00 0.00 N ATOM 256 CA PHE A 144 2.555 14.001 -5.726 1.00 0.00 C ATOM 257 C PHE A 144 2.681 12.748 -6.592 1.00 0.00 C ATOM 258 O PHE A 144 3.124 11.703 -6.114 1.00 0.00 O ATOM 259 CB PHE A 144 1.714 13.679 -4.491 1.00 0.00 C ATOM 260 CG PHE A 144 1.319 14.885 -3.690 1.00 0.00 C ATOM 261 CD1 PHE A 144 2.276 15.762 -3.208 1.00 0.00 C ATOM 262 CD2 PHE A 144 -0.015 15.139 -3.417 1.00 0.00 C ATOM 263 CE1 PHE A 144 1.909 16.871 -2.467 1.00 0.00 C ATOM 264 CE2 PHE A 144 -0.390 16.244 -2.680 1.00 0.00 C ATOM 265 CZ PHE A 144 0.574 17.112 -2.205 1.00 0.00 C ATOM 0 H PHE A 144 0.968 14.975 -6.689 1.00 0.00 H new ATOM 0 HA PHE A 144 3.554 14.313 -5.420 1.00 0.00 H new ATOM 0 HB2 PHE A 144 0.812 13.153 -4.805 1.00 0.00 H new ATOM 0 HB3 PHE A 144 2.274 12.998 -3.850 1.00 0.00 H new ATOM 0 HD1 PHE A 144 3.320 15.578 -3.413 1.00 0.00 H new ATOM 0 HD2 PHE A 144 -0.772 14.463 -3.786 1.00 0.00 H new ATOM 0 HE1 PHE A 144 2.664 17.547 -2.094 1.00 0.00 H new ATOM 0 HE2 PHE A 144 -1.434 16.430 -2.475 1.00 0.00 H new ATOM 0 HZ PHE A 144 0.284 17.979 -1.629 1.00 0.00 H new ATOM 275 N ALA A 145 2.283 12.848 -7.859 1.00 0.00 N ATOM 276 CA ALA A 145 2.339 11.711 -8.777 1.00 0.00 C ATOM 277 C ALA A 145 3.773 11.340 -9.152 1.00 0.00 C ATOM 278 O ALA A 145 4.091 11.168 -10.330 1.00 0.00 O ATOM 279 CB ALA A 145 1.520 12.010 -10.025 1.00 0.00 C ATOM 0 H ALA A 145 1.918 13.705 -8.274 1.00 0.00 H new ATOM 0 HA ALA A 145 1.912 10.850 -8.262 1.00 0.00 H new ATOM 0 HB1 ALA A 145 1.567 11.158 -10.704 1.00 0.00 H new ATOM 0 HB2 ALA A 145 0.483 12.194 -9.744 1.00 0.00 H new ATOM 0 HB3 ALA A 145 1.923 12.892 -10.522 1.00 0.00 H new ATOM 285 N ASP A 146 4.634 11.197 -8.151 1.00 0.00 N ATOM 286 CA ASP A 146 6.022 10.826 -8.386 1.00 0.00 C ATOM 287 C ASP A 146 6.648 10.276 -7.114 1.00 0.00 C ATOM 288 O ASP A 146 7.842 10.449 -6.865 1.00 0.00 O ATOM 289 CB ASP A 146 6.823 12.025 -8.899 1.00 0.00 C ATOM 290 CG ASP A 146 7.767 11.651 -10.024 1.00 0.00 C ATOM 291 OD1 ASP A 146 7.461 10.690 -10.761 1.00 0.00 O ATOM 292 OD2 ASP A 146 8.813 12.318 -10.168 1.00 0.00 O ATOM 0 H ASP A 146 4.394 11.333 -7.169 1.00 0.00 H new ATOM 0 HA ASP A 146 6.043 10.047 -9.149 1.00 0.00 H new ATOM 0 HB2 ASP A 146 6.135 12.796 -9.247 1.00 0.00 H new ATOM 0 HB3 ASP A 146 7.395 12.455 -8.077 1.00 0.00 H new ATOM 297 N PHE A 147 5.828 9.613 -6.313 1.00 0.00 N ATOM 298 CA PHE A 147 6.283 9.028 -5.060 1.00 0.00 C ATOM 299 C PHE A 147 5.357 7.897 -4.631 1.00 0.00 C ATOM 300 O PHE A 147 4.150 7.950 -4.866 1.00 0.00 O ATOM 301 CB PHE A 147 6.346 10.093 -3.963 1.00 0.00 C ATOM 302 CG PHE A 147 7.128 11.314 -4.354 1.00 0.00 C ATOM 303 CD1 PHE A 147 6.505 12.383 -4.977 1.00 0.00 C ATOM 304 CD2 PHE A 147 8.487 11.392 -4.097 1.00 0.00 C ATOM 305 CE1 PHE A 147 7.223 13.508 -5.338 1.00 0.00 C ATOM 306 CE2 PHE A 147 9.211 12.515 -4.455 1.00 0.00 C ATOM 307 CZ PHE A 147 8.577 13.574 -5.077 1.00 0.00 C ATOM 0 H PHE A 147 4.838 9.466 -6.510 1.00 0.00 H new ATOM 0 HA PHE A 147 7.283 8.624 -5.217 1.00 0.00 H new ATOM 0 HB2 PHE A 147 5.331 10.391 -3.699 1.00 0.00 H new ATOM 0 HB3 PHE A 147 6.793 9.656 -3.070 1.00 0.00 H new ATOM 0 HD1 PHE A 147 5.446 12.337 -5.183 1.00 0.00 H new ATOM 0 HD2 PHE A 147 8.987 10.567 -3.612 1.00 0.00 H new ATOM 0 HE1 PHE A 147 6.725 14.334 -5.824 1.00 0.00 H new ATOM 0 HE2 PHE A 147 10.270 12.564 -4.249 1.00 0.00 H new ATOM 0 HZ PHE A 147 9.140 14.452 -5.358 1.00 0.00 H new ATOM 317 N THR A 148 5.927 6.876 -4.006 1.00 0.00 N ATOM 318 CA THR A 148 5.144 5.735 -3.550 1.00 0.00 C ATOM 319 C THR A 148 4.924 5.795 -2.042 1.00 0.00 C ATOM 320 O THR A 148 5.371 6.729 -1.376 1.00 0.00 O ATOM 321 CB THR A 148 5.840 4.427 -3.926 1.00 0.00 C ATOM 322 OG1 THR A 148 7.014 4.245 -3.157 1.00 0.00 O ATOM 323 CG2 THR A 148 6.230 4.354 -5.386 1.00 0.00 C ATOM 0 H THR A 148 6.925 6.814 -3.804 1.00 0.00 H new ATOM 0 HA THR A 148 4.172 5.773 -4.042 1.00 0.00 H new ATOM 0 HB THR A 148 5.110 3.643 -3.723 1.00 0.00 H new ATOM 0 HG1 THR A 148 7.444 3.402 -3.411 1.00 0.00 H new ATOM 0 HG21 THR A 148 6.719 3.400 -5.585 1.00 0.00 H new ATOM 0 HG22 THR A 148 5.337 4.440 -6.006 1.00 0.00 H new ATOM 0 HG23 THR A 148 6.915 5.169 -5.621 1.00 0.00 H new ATOM 331 N GLY A 149 4.233 4.794 -1.511 1.00 0.00 N ATOM 332 CA GLY A 149 3.966 4.754 -0.085 1.00 0.00 C ATOM 333 C GLY A 149 3.978 3.344 0.471 1.00 0.00 C ATOM 334 O GLY A 149 3.511 2.408 -0.180 1.00 0.00 O ATOM 0 H GLY A 149 3.853 4.010 -2.041 1.00 0.00 H new ATOM 0 HA2 GLY A 149 4.712 5.353 0.437 1.00 0.00 H new ATOM 0 HA3 GLY A 149 2.996 5.210 0.112 1.00 0.00 H new ATOM 338 N THR A 150 4.511 3.194 1.678 1.00 0.00 N ATOM 339 CA THR A 150 4.583 1.891 2.328 1.00 0.00 C ATOM 340 C THR A 150 3.370 1.669 3.227 1.00 0.00 C ATOM 341 O THR A 150 3.257 2.276 4.291 1.00 0.00 O ATOM 342 CB THR A 150 5.868 1.776 3.150 1.00 0.00 C ATOM 343 OG1 THR A 150 6.979 2.249 2.410 1.00 0.00 O ATOM 344 CG2 THR A 150 6.174 0.358 3.584 1.00 0.00 C ATOM 0 H THR A 150 4.900 3.960 2.227 1.00 0.00 H new ATOM 0 HA THR A 150 4.588 1.125 1.553 1.00 0.00 H new ATOM 0 HB THR A 150 5.699 2.383 4.040 1.00 0.00 H new ATOM 0 HG1 THR A 150 7.054 1.744 1.573 1.00 0.00 H new ATOM 0 HG21 THR A 150 7.098 0.346 4.163 1.00 0.00 H new ATOM 0 HG22 THR A 150 5.356 -0.019 4.198 1.00 0.00 H new ATOM 0 HG23 THR A 150 6.289 -0.275 2.704 1.00 0.00 H new ATOM 352 N VAL A 151 2.468 0.797 2.792 1.00 0.00 N ATOM 353 CA VAL A 151 1.265 0.497 3.556 1.00 0.00 C ATOM 354 C VAL A 151 1.610 -0.175 4.882 1.00 0.00 C ATOM 355 O VAL A 151 2.101 -1.303 4.907 1.00 0.00 O ATOM 356 CB VAL A 151 0.302 -0.412 2.766 1.00 0.00 C ATOM 357 CG1 VAL A 151 -0.995 -0.619 3.534 1.00 0.00 C ATOM 358 CG2 VAL A 151 0.024 0.171 1.388 1.00 0.00 C ATOM 0 H VAL A 151 2.548 0.285 1.913 1.00 0.00 H new ATOM 0 HA VAL A 151 0.771 1.449 3.750 1.00 0.00 H new ATOM 0 HB VAL A 151 0.779 -1.384 2.636 1.00 0.00 H new ATOM 0 HG11 VAL A 151 -1.660 -1.263 2.959 1.00 0.00 H new ATOM 0 HG12 VAL A 151 -0.778 -1.087 4.495 1.00 0.00 H new ATOM 0 HG13 VAL A 151 -1.477 0.344 3.700 1.00 0.00 H new ATOM 0 HG21 VAL A 151 -0.657 -0.485 0.846 1.00 0.00 H new ATOM 0 HG22 VAL A 151 -0.429 1.157 1.495 1.00 0.00 H new ATOM 0 HG23 VAL A 151 0.959 0.259 0.835 1.00 0.00 H new ATOM 368 N THR A 152 1.348 0.526 5.981 1.00 0.00 N ATOM 369 CA THR A 152 1.629 -0.003 7.309 1.00 0.00 C ATOM 370 C THR A 152 0.370 -0.600 7.931 1.00 0.00 C ATOM 371 O THR A 152 0.398 -1.704 8.476 1.00 0.00 O ATOM 372 CB THR A 152 2.183 1.100 8.214 1.00 0.00 C ATOM 373 OG1 THR A 152 1.261 2.170 8.321 1.00 0.00 O ATOM 374 CG2 THR A 152 3.494 1.672 7.723 1.00 0.00 C ATOM 0 H THR A 152 0.942 1.462 5.977 1.00 0.00 H new ATOM 0 HA THR A 152 2.375 -0.791 7.210 1.00 0.00 H new ATOM 0 HB THR A 152 2.351 0.625 9.181 1.00 0.00 H new ATOM 0 HG1 THR A 152 1.632 2.864 8.905 1.00 0.00 H new ATOM 0 HG21 THR A 152 3.832 2.449 8.409 1.00 0.00 H new ATOM 0 HG22 THR A 152 4.241 0.880 7.675 1.00 0.00 H new ATOM 0 HG23 THR A 152 3.355 2.100 6.730 1.00 0.00 H new ATOM 382 N GLU A 153 -0.734 0.135 7.842 1.00 0.00 N ATOM 383 CA GLU A 153 -2.004 -0.322 8.393 1.00 0.00 C ATOM 384 C GLU A 153 -3.092 -0.321 7.323 1.00 0.00 C ATOM 385 O GLU A 153 -2.912 0.241 6.242 1.00 0.00 O ATOM 386 CB GLU A 153 -2.427 0.566 9.565 1.00 0.00 C ATOM 387 CG GLU A 153 -2.681 2.012 9.171 1.00 0.00 C ATOM 388 CD GLU A 153 -3.563 2.740 10.166 1.00 0.00 C ATOM 389 OE1 GLU A 153 -4.799 2.572 10.097 1.00 0.00 O ATOM 390 OE2 GLU A 153 -3.019 3.477 11.015 1.00 0.00 O ATOM 0 H GLU A 153 -0.774 1.050 7.393 1.00 0.00 H new ATOM 0 HA GLU A 153 -1.869 -1.343 8.750 1.00 0.00 H new ATOM 0 HB2 GLU A 153 -3.332 0.156 10.013 1.00 0.00 H new ATOM 0 HB3 GLU A 153 -1.651 0.537 10.330 1.00 0.00 H new ATOM 0 HG2 GLU A 153 -1.728 2.534 9.085 1.00 0.00 H new ATOM 0 HG3 GLU A 153 -3.149 2.040 8.187 1.00 0.00 H new ATOM 397 N ILE A 154 -4.218 -0.954 7.630 1.00 0.00 N ATOM 398 CA ILE A 154 -5.333 -1.027 6.695 1.00 0.00 C ATOM 399 C ILE A 154 -6.670 -1.017 7.429 1.00 0.00 C ATOM 400 O ILE A 154 -6.736 -1.317 8.621 1.00 0.00 O ATOM 401 CB ILE A 154 -5.252 -2.291 5.817 1.00 0.00 C ATOM 402 CG1 ILE A 154 -5.158 -3.541 6.693 1.00 0.00 C ATOM 403 CG2 ILE A 154 -4.061 -2.206 4.876 1.00 0.00 C ATOM 404 CD1 ILE A 154 -5.609 -4.804 5.994 1.00 0.00 C ATOM 0 H ILE A 154 -4.383 -1.424 8.520 1.00 0.00 H new ATOM 0 HA ILE A 154 -5.265 -0.146 6.057 1.00 0.00 H new ATOM 0 HB ILE A 154 -6.160 -2.358 5.217 1.00 0.00 H new ATOM 0 HG12 ILE A 154 -4.127 -3.667 7.023 1.00 0.00 H new ATOM 0 HG13 ILE A 154 -5.764 -3.394 7.587 1.00 0.00 H new ATOM 0 HG21 ILE A 154 -4.017 -3.106 4.262 1.00 0.00 H new ATOM 0 HG22 ILE A 154 -4.167 -1.333 4.232 1.00 0.00 H new ATOM 0 HG23 ILE A 154 -3.143 -2.118 5.458 1.00 0.00 H new ATOM 0 HD11 ILE A 154 -5.515 -5.650 6.675 1.00 0.00 H new ATOM 0 HD12 ILE A 154 -6.650 -4.699 5.688 1.00 0.00 H new ATOM 0 HD13 ILE A 154 -4.988 -4.975 5.115 1.00 0.00 H new ATOM 416 N ASN A 155 -7.732 -0.672 6.709 1.00 0.00 N ATOM 417 CA ASN A 155 -9.067 -0.624 7.292 1.00 0.00 C ATOM 418 C ASN A 155 -10.077 -1.345 6.402 1.00 0.00 C ATOM 419 O ASN A 155 -10.690 -0.735 5.525 1.00 0.00 O ATOM 420 CB ASN A 155 -9.502 0.828 7.504 1.00 0.00 C ATOM 421 CG ASN A 155 -8.859 1.453 8.725 1.00 0.00 C ATOM 422 OD1 ASN A 155 -7.792 1.023 9.167 1.00 0.00 O ATOM 423 ND2 ASN A 155 -9.505 2.473 9.279 1.00 0.00 N ATOM 0 H ASN A 155 -7.694 -0.422 5.721 1.00 0.00 H new ATOM 0 HA ASN A 155 -9.033 -1.131 8.256 1.00 0.00 H new ATOM 0 HB2 ASN A 155 -9.244 1.414 6.622 1.00 0.00 H new ATOM 0 HB3 ASN A 155 -10.586 0.868 7.608 1.00 0.00 H new ATOM 0 HD21 ASN A 155 -9.120 2.933 10.104 1.00 0.00 H new ATOM 0 HD22 ASN A 155 -10.386 2.796 8.879 1.00 0.00 H new ATOM 430 N PRO A 156 -10.266 -2.659 6.617 1.00 0.00 N ATOM 431 CA PRO A 156 -11.207 -3.460 5.828 1.00 0.00 C ATOM 432 C PRO A 156 -12.660 -3.090 6.110 1.00 0.00 C ATOM 433 O PRO A 156 -13.528 -3.245 5.252 1.00 0.00 O ATOM 434 CB PRO A 156 -10.923 -4.894 6.279 1.00 0.00 C ATOM 435 CG PRO A 156 -10.350 -4.755 7.647 1.00 0.00 C ATOM 436 CD PRO A 156 -9.576 -3.466 7.641 1.00 0.00 C ATOM 0 HA PRO A 156 -11.076 -3.304 4.757 1.00 0.00 H new ATOM 0 HB2 PRO A 156 -11.834 -5.493 6.290 1.00 0.00 H new ATOM 0 HB3 PRO A 156 -10.224 -5.390 5.605 1.00 0.00 H new ATOM 0 HG2 PRO A 156 -11.138 -4.734 8.400 1.00 0.00 H new ATOM 0 HG3 PRO A 156 -9.702 -5.598 7.887 1.00 0.00 H new ATOM 0 HD2 PRO A 156 -9.596 -2.980 8.617 1.00 0.00 H new ATOM 0 HD3 PRO A 156 -8.528 -3.627 7.387 1.00 0.00 H new ATOM 444 N GLU A 157 -12.916 -2.605 7.321 1.00 0.00 N ATOM 445 CA GLU A 157 -14.265 -2.215 7.717 1.00 0.00 C ATOM 446 C GLU A 157 -14.780 -1.072 6.848 1.00 0.00 C ATOM 447 O GLU A 157 -15.865 -1.157 6.272 1.00 0.00 O ATOM 448 CB GLU A 157 -14.285 -1.801 9.190 1.00 0.00 C ATOM 449 CG GLU A 157 -14.408 -2.974 10.149 1.00 0.00 C ATOM 450 CD GLU A 157 -13.962 -2.626 11.555 1.00 0.00 C ATOM 451 OE1 GLU A 157 -12.815 -2.157 11.715 1.00 0.00 O ATOM 452 OE2 GLU A 157 -14.760 -2.822 12.497 1.00 0.00 O ATOM 0 H GLU A 157 -12.209 -2.473 8.044 1.00 0.00 H new ATOM 0 HA GLU A 157 -14.921 -3.075 7.578 1.00 0.00 H new ATOM 0 HB2 GLU A 157 -13.372 -1.251 9.417 1.00 0.00 H new ATOM 0 HB3 GLU A 157 -15.118 -1.118 9.356 1.00 0.00 H new ATOM 0 HG2 GLU A 157 -15.444 -3.311 10.173 1.00 0.00 H new ATOM 0 HG3 GLU A 157 -13.810 -3.806 9.778 1.00 0.00 H new ATOM 459 N ARG A 158 -13.996 -0.002 6.759 1.00 0.00 N ATOM 460 CA ARG A 158 -14.374 1.159 5.959 1.00 0.00 C ATOM 461 C ARG A 158 -13.798 1.060 4.550 1.00 0.00 C ATOM 462 O ARG A 158 -14.513 1.237 3.564 1.00 0.00 O ATOM 463 CB ARG A 158 -13.893 2.444 6.634 1.00 0.00 C ATOM 464 CG ARG A 158 -14.949 3.538 6.679 1.00 0.00 C ATOM 465 CD ARG A 158 -14.405 4.816 7.303 1.00 0.00 C ATOM 466 NE ARG A 158 -15.251 5.298 8.391 1.00 0.00 N ATOM 467 CZ ARG A 158 -15.232 4.795 9.624 1.00 0.00 C ATOM 468 NH1 ARG A 158 -14.413 3.795 9.928 1.00 0.00 N ATOM 469 NH2 ARG A 158 -16.034 5.291 10.555 1.00 0.00 N ATOM 0 H ARG A 158 -13.096 0.086 7.230 1.00 0.00 H new ATOM 0 HA ARG A 158 -15.461 1.182 5.884 1.00 0.00 H new ATOM 0 HB2 ARG A 158 -13.576 2.214 7.651 1.00 0.00 H new ATOM 0 HB3 ARG A 158 -13.017 2.817 6.104 1.00 0.00 H new ATOM 0 HG2 ARG A 158 -15.301 3.747 5.669 1.00 0.00 H new ATOM 0 HG3 ARG A 158 -15.810 3.191 7.251 1.00 0.00 H new ATOM 0 HD2 ARG A 158 -13.398 4.635 7.680 1.00 0.00 H new ATOM 0 HD3 ARG A 158 -14.325 5.588 6.537 1.00 0.00 H new ATOM 0 HE ARG A 158 -15.894 6.065 8.195 1.00 0.00 H new ATOM 0 HH11 ARG A 158 -13.794 3.408 9.216 1.00 0.00 H new ATOM 0 HH12 ARG A 158 -14.403 3.414 10.874 1.00 0.00 H new ATOM 0 HH21 ARG A 158 -16.666 6.058 10.327 1.00 0.00 H new ATOM 0 HH22 ARG A 158 -16.019 4.905 11.499 1.00 0.00 H new ATOM 483 N GLY A 159 -12.503 0.775 4.464 1.00 0.00 N ATOM 484 CA GLY A 159 -11.852 0.659 3.173 1.00 0.00 C ATOM 485 C GLY A 159 -10.797 1.724 2.956 1.00 0.00 C ATOM 486 O GLY A 159 -10.808 2.425 1.945 1.00 0.00 O ATOM 0 H GLY A 159 -11.892 0.622 5.267 1.00 0.00 H new ATOM 0 HA2 GLY A 159 -11.392 -0.326 3.089 1.00 0.00 H new ATOM 0 HA3 GLY A 159 -12.601 0.729 2.385 1.00 0.00 H new ATOM 490 N LYS A 160 -9.880 1.847 3.912 1.00 0.00 N ATOM 491 CA LYS A 160 -8.812 2.836 3.823 1.00 0.00 C ATOM 492 C LYS A 160 -7.446 2.175 3.984 1.00 0.00 C ATOM 493 O LYS A 160 -7.351 1.000 4.336 1.00 0.00 O ATOM 494 CB LYS A 160 -9.001 3.918 4.890 1.00 0.00 C ATOM 495 CG LYS A 160 -9.046 5.328 4.324 1.00 0.00 C ATOM 496 CD LYS A 160 -8.532 6.347 5.328 1.00 0.00 C ATOM 497 CE LYS A 160 -8.750 7.769 4.838 1.00 0.00 C ATOM 498 NZ LYS A 160 -8.077 8.768 5.715 1.00 0.00 N ATOM 0 H LYS A 160 -9.856 1.274 4.756 1.00 0.00 H new ATOM 0 HA LYS A 160 -8.857 3.298 2.837 1.00 0.00 H new ATOM 0 HB2 LYS A 160 -9.926 3.724 5.433 1.00 0.00 H new ATOM 0 HB3 LYS A 160 -8.187 3.851 5.612 1.00 0.00 H new ATOM 0 HG2 LYS A 160 -8.446 5.376 3.415 1.00 0.00 H new ATOM 0 HG3 LYS A 160 -10.070 5.576 4.043 1.00 0.00 H new ATOM 0 HD2 LYS A 160 -9.040 6.208 6.282 1.00 0.00 H new ATOM 0 HD3 LYS A 160 -7.469 6.181 5.505 1.00 0.00 H new ATOM 0 HE2 LYS A 160 -8.370 7.865 3.821 1.00 0.00 H new ATOM 0 HE3 LYS A 160 -9.819 7.980 4.801 1.00 0.00 H new ATOM 0 HZ1 LYS A 160 -8.766 9.488 6.013 1.00 0.00 H new ATOM 0 HZ2 LYS A 160 -7.692 8.290 6.554 1.00 0.00 H new ATOM 0 HZ3 LYS A 160 -7.303 9.224 5.191 1.00 0.00 H new ATOM 512 N VAL A 161 -6.391 2.939 3.720 1.00 0.00 N ATOM 513 CA VAL A 161 -5.030 2.431 3.833 1.00 0.00 C ATOM 514 C VAL A 161 -4.043 3.560 4.108 1.00 0.00 C ATOM 515 O VAL A 161 -4.070 4.597 3.444 1.00 0.00 O ATOM 516 CB VAL A 161 -4.598 1.689 2.555 1.00 0.00 C ATOM 517 CG1 VAL A 161 -5.264 0.323 2.479 1.00 0.00 C ATOM 518 CG2 VAL A 161 -4.921 2.517 1.321 1.00 0.00 C ATOM 0 H VAL A 161 -6.454 3.914 3.426 1.00 0.00 H new ATOM 0 HA VAL A 161 -5.023 1.732 4.670 1.00 0.00 H new ATOM 0 HB VAL A 161 -3.519 1.540 2.591 1.00 0.00 H new ATOM 0 HG11 VAL A 161 -4.947 -0.186 1.569 1.00 0.00 H new ATOM 0 HG12 VAL A 161 -4.976 -0.271 3.347 1.00 0.00 H new ATOM 0 HG13 VAL A 161 -6.347 0.446 2.467 1.00 0.00 H new ATOM 0 HG21 VAL A 161 -4.608 1.976 0.428 1.00 0.00 H new ATOM 0 HG22 VAL A 161 -5.995 2.701 1.277 1.00 0.00 H new ATOM 0 HG23 VAL A 161 -4.392 3.469 1.373 1.00 0.00 H new ATOM 528 N LYS A 162 -3.173 3.352 5.090 1.00 0.00 N ATOM 529 CA LYS A 162 -2.176 4.352 5.453 1.00 0.00 C ATOM 530 C LYS A 162 -0.796 3.960 4.935 1.00 0.00 C ATOM 531 O LYS A 162 -0.369 2.817 5.087 1.00 0.00 O ATOM 532 CB LYS A 162 -2.132 4.530 6.972 1.00 0.00 C ATOM 533 CG LYS A 162 -1.149 5.595 7.428 1.00 0.00 C ATOM 534 CD LYS A 162 -0.964 5.571 8.937 1.00 0.00 C ATOM 535 CE LYS A 162 -0.890 6.977 9.514 1.00 0.00 C ATOM 536 NZ LYS A 162 0.426 7.245 10.157 1.00 0.00 N ATOM 0 H LYS A 162 -3.138 2.500 5.649 1.00 0.00 H new ATOM 0 HA LYS A 162 -2.462 5.297 4.991 1.00 0.00 H new ATOM 0 HB2 LYS A 162 -3.129 4.790 7.329 1.00 0.00 H new ATOM 0 HB3 LYS A 162 -1.866 3.579 7.434 1.00 0.00 H new ATOM 0 HG2 LYS A 162 -0.187 5.437 6.940 1.00 0.00 H new ATOM 0 HG3 LYS A 162 -1.506 6.578 7.119 1.00 0.00 H new ATOM 0 HD2 LYS A 162 -1.792 5.031 9.397 1.00 0.00 H new ATOM 0 HD3 LYS A 162 -0.052 5.027 9.184 1.00 0.00 H new ATOM 0 HE2 LYS A 162 -1.061 7.704 8.721 1.00 0.00 H new ATOM 0 HE3 LYS A 162 -1.686 7.111 10.247 1.00 0.00 H new ATOM 0 HZ1 LYS A 162 0.436 8.213 10.537 1.00 0.00 H new ATOM 0 HZ2 LYS A 162 0.579 6.567 10.931 1.00 0.00 H new ATOM 0 HZ3 LYS A 162 1.184 7.142 9.452 1.00 0.00 H new ATOM 550 N VAL A 163 -0.105 4.916 4.323 1.00 0.00 N ATOM 551 CA VAL A 163 1.226 4.668 3.783 1.00 0.00 C ATOM 552 C VAL A 163 2.189 5.794 4.145 1.00 0.00 C ATOM 553 O VAL A 163 1.768 6.879 4.550 1.00 0.00 O ATOM 554 CB VAL A 163 1.191 4.510 2.251 1.00 0.00 C ATOM 555 CG1 VAL A 163 0.326 3.322 1.853 1.00 0.00 C ATOM 556 CG2 VAL A 163 0.693 5.788 1.592 1.00 0.00 C ATOM 0 H VAL A 163 -0.444 5.868 4.189 1.00 0.00 H new ATOM 0 HA VAL A 163 1.577 3.738 4.229 1.00 0.00 H new ATOM 0 HB VAL A 163 2.206 4.321 1.902 1.00 0.00 H new ATOM 0 HG11 VAL A 163 0.314 3.228 0.767 1.00 0.00 H new ATOM 0 HG12 VAL A 163 0.734 2.412 2.292 1.00 0.00 H new ATOM 0 HG13 VAL A 163 -0.691 3.475 2.215 1.00 0.00 H new ATOM 0 HG21 VAL A 163 0.675 5.657 0.510 1.00 0.00 H new ATOM 0 HG22 VAL A 163 -0.313 6.012 1.947 1.00 0.00 H new ATOM 0 HG23 VAL A 163 1.359 6.612 1.847 1.00 0.00 H new ATOM 566 N MET A 164 3.484 5.532 3.994 1.00 0.00 N ATOM 567 CA MET A 164 4.507 6.524 4.303 1.00 0.00 C ATOM 568 C MET A 164 5.122 7.085 3.024 1.00 0.00 C ATOM 569 O MET A 164 5.688 6.344 2.220 1.00 0.00 O ATOM 570 CB MET A 164 5.596 5.909 5.189 1.00 0.00 C ATOM 571 CG MET A 164 6.510 4.939 4.455 1.00 0.00 C ATOM 572 SD MET A 164 7.400 3.842 5.576 1.00 0.00 S ATOM 573 CE MET A 164 9.028 3.845 4.833 1.00 0.00 C ATOM 0 H MET A 164 3.849 4.640 3.659 1.00 0.00 H new ATOM 0 HA MET A 164 4.034 7.343 4.845 1.00 0.00 H new ATOM 0 HB2 MET A 164 6.200 6.710 5.616 1.00 0.00 H new ATOM 0 HB3 MET A 164 5.123 5.388 6.022 1.00 0.00 H new ATOM 0 HG2 MET A 164 5.918 4.342 3.762 1.00 0.00 H new ATOM 0 HG3 MET A 164 7.227 5.502 3.858 1.00 0.00 H new ATOM 0 HE1 MET A 164 9.695 3.209 5.415 1.00 0.00 H new ATOM 0 HE2 MET A 164 8.963 3.466 3.813 1.00 0.00 H new ATOM 0 HE3 MET A 164 9.419 4.862 4.818 1.00 0.00 H new ATOM 583 N VAL A 165 5.010 8.397 2.842 1.00 0.00 N ATOM 584 CA VAL A 165 5.556 9.053 1.659 1.00 0.00 C ATOM 585 C VAL A 165 6.640 10.057 2.038 1.00 0.00 C ATOM 586 O VAL A 165 6.684 10.541 3.168 1.00 0.00 O ATOM 587 CB VAL A 165 4.458 9.778 0.859 1.00 0.00 C ATOM 588 CG1 VAL A 165 3.515 8.774 0.214 1.00 0.00 C ATOM 589 CG2 VAL A 165 3.692 10.740 1.755 1.00 0.00 C ATOM 0 H VAL A 165 4.547 9.026 3.498 1.00 0.00 H new ATOM 0 HA VAL A 165 5.990 8.270 1.037 1.00 0.00 H new ATOM 0 HB VAL A 165 4.933 10.356 0.066 1.00 0.00 H new ATOM 0 HG11 VAL A 165 2.746 9.305 -0.347 1.00 0.00 H new ATOM 0 HG12 VAL A 165 4.077 8.129 -0.462 1.00 0.00 H new ATOM 0 HG13 VAL A 165 3.045 8.167 0.988 1.00 0.00 H new ATOM 0 HG21 VAL A 165 2.920 11.243 1.173 1.00 0.00 H new ATOM 0 HG22 VAL A 165 3.228 10.186 2.571 1.00 0.00 H new ATOM 0 HG23 VAL A 165 4.379 11.481 2.164 1.00 0.00 H new ATOM 599 N THR A 166 7.510 10.366 1.083 1.00 0.00 N ATOM 600 CA THR A 166 8.595 11.314 1.315 1.00 0.00 C ATOM 601 C THR A 166 8.838 12.178 0.082 1.00 0.00 C ATOM 602 O THR A 166 9.397 11.715 -0.912 1.00 0.00 O ATOM 603 CB THR A 166 9.879 10.571 1.692 1.00 0.00 C ATOM 604 OG1 THR A 166 9.635 9.648 2.739 1.00 0.00 O ATOM 605 CG2 THR A 166 10.994 11.490 2.138 1.00 0.00 C ATOM 0 H THR A 166 7.486 9.975 0.141 1.00 0.00 H new ATOM 0 HA THR A 166 8.304 11.964 2.140 1.00 0.00 H new ATOM 0 HB THR A 166 10.195 10.061 0.782 1.00 0.00 H new ATOM 0 HG1 THR A 166 10.467 9.182 2.965 1.00 0.00 H new ATOM 0 HG21 THR A 166 11.874 10.898 2.390 1.00 0.00 H new ATOM 0 HG22 THR A 166 11.240 12.181 1.332 1.00 0.00 H new ATOM 0 HG23 THR A 166 10.673 12.054 3.014 1.00 0.00 H new ATOM 613 N ILE A 167 8.414 13.435 0.155 1.00 0.00 N ATOM 614 CA ILE A 167 8.587 14.365 -0.957 1.00 0.00 C ATOM 615 C ILE A 167 9.981 14.983 -0.942 1.00 0.00 C ATOM 616 O ILE A 167 10.325 15.740 -0.034 1.00 0.00 O ATOM 617 CB ILE A 167 7.538 15.494 -0.915 1.00 0.00 C ATOM 618 CG1 ILE A 167 6.131 14.911 -0.755 1.00 0.00 C ATOM 619 CG2 ILE A 167 7.624 16.346 -2.173 1.00 0.00 C ATOM 620 CD1 ILE A 167 5.574 15.053 0.646 1.00 0.00 C ATOM 0 H ILE A 167 7.949 13.834 0.971 1.00 0.00 H new ATOM 0 HA ILE A 167 8.455 13.790 -1.874 1.00 0.00 H new ATOM 0 HB ILE A 167 7.747 16.129 -0.054 1.00 0.00 H new ATOM 0 HG12 ILE A 167 5.459 15.406 -1.456 1.00 0.00 H new ATOM 0 HG13 ILE A 167 6.151 13.855 -1.024 1.00 0.00 H new ATOM 0 HG21 ILE A 167 6.877 17.138 -2.128 1.00 0.00 H new ATOM 0 HG22 ILE A 167 8.618 16.788 -2.246 1.00 0.00 H new ATOM 0 HG23 ILE A 167 7.439 15.723 -3.048 1.00 0.00 H new ATOM 0 HD11 ILE A 167 4.575 14.619 0.686 1.00 0.00 H new ATOM 0 HD12 ILE A 167 6.224 14.534 1.350 1.00 0.00 H new ATOM 0 HD13 ILE A 167 5.521 16.109 0.911 1.00 0.00 H new ATOM 632 N PHE A 168 10.778 14.657 -1.955 1.00 0.00 N ATOM 633 CA PHE A 168 12.137 15.178 -2.063 1.00 0.00 C ATOM 634 C PHE A 168 13.009 14.670 -0.919 1.00 0.00 C ATOM 635 O PHE A 168 13.812 13.756 -1.097 1.00 0.00 O ATOM 636 CB PHE A 168 12.122 16.709 -2.072 1.00 0.00 C ATOM 637 CG PHE A 168 12.202 17.303 -3.449 1.00 0.00 C ATOM 638 CD1 PHE A 168 11.159 17.148 -4.347 1.00 0.00 C ATOM 639 CD2 PHE A 168 13.323 18.017 -3.846 1.00 0.00 C ATOM 640 CE1 PHE A 168 11.231 17.693 -5.615 1.00 0.00 C ATOM 641 CE2 PHE A 168 13.400 18.565 -5.112 1.00 0.00 C ATOM 642 CZ PHE A 168 12.353 18.403 -5.998 1.00 0.00 C ATOM 0 H PHE A 168 10.506 14.033 -2.715 1.00 0.00 H new ATOM 0 HA PHE A 168 12.561 14.822 -3.002 1.00 0.00 H new ATOM 0 HB2 PHE A 168 11.210 17.058 -1.587 1.00 0.00 H new ATOM 0 HB3 PHE A 168 12.959 17.076 -1.478 1.00 0.00 H new ATOM 0 HD1 PHE A 168 10.279 16.595 -4.053 1.00 0.00 H new ATOM 0 HD2 PHE A 168 14.145 18.146 -3.158 1.00 0.00 H new ATOM 0 HE1 PHE A 168 10.411 17.564 -6.306 1.00 0.00 H new ATOM 0 HE2 PHE A 168 14.278 19.120 -5.408 1.00 0.00 H new ATOM 0 HZ PHE A 168 12.411 18.830 -6.988 1.00 0.00 H new ATOM 652 N GLY A 169 12.845 15.268 0.256 1.00 0.00 N ATOM 653 CA GLY A 169 13.623 14.861 1.412 1.00 0.00 C ATOM 654 C GLY A 169 12.922 15.170 2.719 1.00 0.00 C ATOM 655 O GLY A 169 13.542 15.666 3.662 1.00 0.00 O ATOM 0 H GLY A 169 12.187 16.028 0.429 1.00 0.00 H new ATOM 0 HA2 GLY A 169 13.822 13.791 1.354 1.00 0.00 H new ATOM 0 HA3 GLY A 169 14.589 15.366 1.393 1.00 0.00 H new ATOM 659 N ARG A 170 11.628 14.875 2.780 1.00 0.00 N ATOM 660 CA ARG A 170 10.842 15.124 3.983 1.00 0.00 C ATOM 661 C ARG A 170 9.734 14.089 4.134 1.00 0.00 C ATOM 662 O ARG A 170 8.817 14.020 3.314 1.00 0.00 O ATOM 663 CB ARG A 170 10.240 16.531 3.941 1.00 0.00 C ATOM 664 CG ARG A 170 9.597 16.877 2.608 1.00 0.00 C ATOM 665 CD ARG A 170 8.808 18.174 2.691 1.00 0.00 C ATOM 666 NE ARG A 170 7.641 18.161 1.812 1.00 0.00 N ATOM 667 CZ ARG A 170 6.997 19.259 1.420 1.00 0.00 C ATOM 668 NH1 ARG A 170 7.402 20.456 1.826 1.00 0.00 N ATOM 669 NH2 ARG A 170 5.944 19.159 0.619 1.00 0.00 N ATOM 0 H ARG A 170 11.101 14.463 2.010 1.00 0.00 H new ATOM 0 HA ARG A 170 11.506 15.045 4.844 1.00 0.00 H new ATOM 0 HB2 ARG A 170 9.493 16.621 4.730 1.00 0.00 H new ATOM 0 HB3 ARG A 170 11.022 17.259 4.158 1.00 0.00 H new ATOM 0 HG2 ARG A 170 10.368 16.967 1.843 1.00 0.00 H new ATOM 0 HG3 ARG A 170 8.936 16.067 2.300 1.00 0.00 H new ATOM 0 HD2 ARG A 170 8.486 18.337 3.719 1.00 0.00 H new ATOM 0 HD3 ARG A 170 9.455 19.010 2.423 1.00 0.00 H new ATOM 0 HE ARG A 170 7.300 17.259 1.479 1.00 0.00 H new ATOM 0 HH11 ARG A 170 8.211 20.539 2.442 1.00 0.00 H new ATOM 0 HH12 ARG A 170 6.904 21.293 1.522 1.00 0.00 H new ATOM 0 HH21 ARG A 170 5.628 18.242 0.304 1.00 0.00 H new ATOM 0 HH22 ARG A 170 5.450 19.999 0.318 1.00 0.00 H new ATOM 683 N GLU A 171 9.821 13.284 5.189 1.00 0.00 N ATOM 684 CA GLU A 171 8.824 12.252 5.447 1.00 0.00 C ATOM 685 C GLU A 171 7.489 12.876 5.841 1.00 0.00 C ATOM 686 O GLU A 171 7.448 13.931 6.477 1.00 0.00 O ATOM 687 CB GLU A 171 9.310 11.311 6.553 1.00 0.00 C ATOM 688 CG GLU A 171 9.837 9.984 6.032 1.00 0.00 C ATOM 689 CD GLU A 171 10.299 9.064 7.145 1.00 0.00 C ATOM 690 OE1 GLU A 171 11.472 9.175 7.559 1.00 0.00 O ATOM 691 OE2 GLU A 171 9.489 8.232 7.604 1.00 0.00 O ATOM 0 H GLU A 171 10.572 13.327 5.878 1.00 0.00 H new ATOM 0 HA GLU A 171 8.680 11.679 4.531 1.00 0.00 H new ATOM 0 HB2 GLU A 171 10.097 11.807 7.122 1.00 0.00 H new ATOM 0 HB3 GLU A 171 8.489 11.121 7.244 1.00 0.00 H new ATOM 0 HG2 GLU A 171 9.056 9.488 5.456 1.00 0.00 H new ATOM 0 HG3 GLU A 171 10.667 10.169 5.350 1.00 0.00 H new ATOM 698 N THR A 172 6.398 12.219 5.460 1.00 0.00 N ATOM 699 CA THR A 172 5.061 12.712 5.773 1.00 0.00 C ATOM 700 C THR A 172 4.028 11.588 5.679 1.00 0.00 C ATOM 701 O THR A 172 3.772 11.063 4.595 1.00 0.00 O ATOM 702 CB THR A 172 4.682 13.847 4.821 1.00 0.00 C ATOM 703 OG1 THR A 172 5.636 14.894 4.885 1.00 0.00 O ATOM 704 CG2 THR A 172 3.324 14.447 5.115 1.00 0.00 C ATOM 0 H THR A 172 6.413 11.345 4.935 1.00 0.00 H new ATOM 0 HA THR A 172 5.069 13.088 6.796 1.00 0.00 H new ATOM 0 HB THR A 172 4.655 13.395 3.829 1.00 0.00 H new ATOM 0 HG1 THR A 172 6.148 14.819 5.717 1.00 0.00 H new ATOM 0 HG21 THR A 172 3.117 15.246 4.403 1.00 0.00 H new ATOM 0 HG22 THR A 172 2.559 13.676 5.027 1.00 0.00 H new ATOM 0 HG23 THR A 172 3.316 14.852 6.127 1.00 0.00 H new ATOM 712 N PRO A 173 3.417 11.202 6.816 1.00 0.00 N ATOM 713 CA PRO A 173 2.410 10.138 6.844 1.00 0.00 C ATOM 714 C PRO A 173 1.081 10.589 6.249 1.00 0.00 C ATOM 715 O PRO A 173 0.398 11.448 6.809 1.00 0.00 O ATOM 716 CB PRO A 173 2.254 9.839 8.334 1.00 0.00 C ATOM 717 CG PRO A 173 2.600 11.120 9.010 1.00 0.00 C ATOM 718 CD PRO A 173 3.658 11.770 8.158 1.00 0.00 C ATOM 0 HA PRO A 173 2.710 9.273 6.252 1.00 0.00 H new ATOM 0 HB2 PRO A 173 1.237 9.527 8.572 1.00 0.00 H new ATOM 0 HB3 PRO A 173 2.917 9.033 8.648 1.00 0.00 H new ATOM 0 HG2 PRO A 173 1.724 11.762 9.100 1.00 0.00 H new ATOM 0 HG3 PRO A 173 2.969 10.940 10.020 1.00 0.00 H new ATOM 0 HD2 PRO A 173 3.562 12.856 8.157 1.00 0.00 H new ATOM 0 HD3 PRO A 173 4.661 11.539 8.517 1.00 0.00 H new ATOM 726 N VAL A 174 0.719 10.010 5.108 1.00 0.00 N ATOM 727 CA VAL A 174 -0.527 10.359 4.437 1.00 0.00 C ATOM 728 C VAL A 174 -1.446 9.147 4.313 1.00 0.00 C ATOM 729 O VAL A 174 -1.059 8.116 3.765 1.00 0.00 O ATOM 730 CB VAL A 174 -0.267 10.933 3.033 1.00 0.00 C ATOM 731 CG1 VAL A 174 -1.553 11.475 2.427 1.00 0.00 C ATOM 732 CG2 VAL A 174 0.800 12.018 3.089 1.00 0.00 C ATOM 0 H VAL A 174 1.271 9.298 4.630 1.00 0.00 H new ATOM 0 HA VAL A 174 -1.012 11.119 5.050 1.00 0.00 H new ATOM 0 HB VAL A 174 0.096 10.127 2.395 1.00 0.00 H new ATOM 0 HG11 VAL A 174 -1.347 11.876 1.435 1.00 0.00 H new ATOM 0 HG12 VAL A 174 -2.285 10.671 2.349 1.00 0.00 H new ATOM 0 HG13 VAL A 174 -1.950 12.266 3.063 1.00 0.00 H new ATOM 0 HG21 VAL A 174 0.971 12.412 2.087 1.00 0.00 H new ATOM 0 HG22 VAL A 174 0.466 12.823 3.744 1.00 0.00 H new ATOM 0 HG23 VAL A 174 1.728 11.596 3.476 1.00 0.00 H new ATOM 742 N GLU A 175 -2.667 9.281 4.823 1.00 0.00 N ATOM 743 CA GLU A 175 -3.643 8.200 4.765 1.00 0.00 C ATOM 744 C GLU A 175 -4.508 8.322 3.515 1.00 0.00 C ATOM 745 O GLU A 175 -5.035 9.393 3.215 1.00 0.00 O ATOM 746 CB GLU A 175 -4.524 8.208 6.016 1.00 0.00 C ATOM 747 CG GLU A 175 -3.751 8.432 7.306 1.00 0.00 C ATOM 748 CD GLU A 175 -3.935 9.831 7.861 1.00 0.00 C ATOM 749 OE1 GLU A 175 -5.032 10.401 7.683 1.00 0.00 O ATOM 750 OE2 GLU A 175 -2.982 10.357 8.474 1.00 0.00 O ATOM 0 H GLU A 175 -3.003 10.128 5.281 1.00 0.00 H new ATOM 0 HA GLU A 175 -3.102 7.255 4.722 1.00 0.00 H new ATOM 0 HB2 GLU A 175 -5.278 8.989 5.914 1.00 0.00 H new ATOM 0 HB3 GLU A 175 -5.056 7.259 6.081 1.00 0.00 H new ATOM 0 HG2 GLU A 175 -4.075 7.704 8.050 1.00 0.00 H new ATOM 0 HG3 GLU A 175 -2.691 8.253 7.126 1.00 0.00 H new ATOM 757 N LEU A 176 -4.647 7.219 2.787 1.00 0.00 N ATOM 758 CA LEU A 176 -5.446 7.204 1.564 1.00 0.00 C ATOM 759 C LEU A 176 -6.255 5.928 1.452 1.00 0.00 C ATOM 760 O LEU A 176 -6.439 5.196 2.423 1.00 0.00 O ATOM 761 CB LEU A 176 -4.553 7.293 0.325 1.00 0.00 C ATOM 762 CG LEU A 176 -3.108 7.736 0.573 1.00 0.00 C ATOM 763 CD1 LEU A 176 -2.206 6.527 0.765 1.00 0.00 C ATOM 764 CD2 LEU A 176 -2.612 8.596 -0.581 1.00 0.00 C ATOM 0 H LEU A 176 -4.218 6.324 3.021 1.00 0.00 H new ATOM 0 HA LEU A 176 -6.111 8.066 1.616 1.00 0.00 H new ATOM 0 HB2 LEU A 176 -4.535 6.316 -0.157 1.00 0.00 H new ATOM 0 HB3 LEU A 176 -5.010 7.988 -0.379 1.00 0.00 H new ATOM 0 HG LEU A 176 -3.080 8.333 1.485 1.00 0.00 H new ATOM 0 HD11 LEU A 176 -1.183 6.860 0.940 1.00 0.00 H new ATOM 0 HD12 LEU A 176 -2.551 5.948 1.622 1.00 0.00 H new ATOM 0 HD13 LEU A 176 -2.237 5.904 -0.129 1.00 0.00 H new ATOM 0 HD21 LEU A 176 -1.584 8.903 -0.390 1.00 0.00 H new ATOM 0 HD22 LEU A 176 -2.653 8.022 -1.507 1.00 0.00 H new ATOM 0 HD23 LEU A 176 -3.243 9.480 -0.674 1.00 0.00 H new ATOM 776 N ASP A 177 -6.699 5.656 0.231 1.00 0.00 N ATOM 777 CA ASP A 177 -7.447 4.461 -0.057 1.00 0.00 C ATOM 778 C ASP A 177 -6.981 3.854 -1.376 1.00 0.00 C ATOM 779 O ASP A 177 -6.335 4.517 -2.185 1.00 0.00 O ATOM 780 CB ASP A 177 -8.949 4.745 -0.092 1.00 0.00 C ATOM 781 CG ASP A 177 -9.432 5.460 1.155 1.00 0.00 C ATOM 782 OD1 ASP A 177 -8.927 6.566 1.439 1.00 0.00 O ATOM 783 OD2 ASP A 177 -10.316 4.913 1.847 1.00 0.00 O ATOM 0 H ASP A 177 -6.546 6.260 -0.576 1.00 0.00 H new ATOM 0 HA ASP A 177 -7.265 3.743 0.742 1.00 0.00 H new ATOM 0 HB2 ASP A 177 -9.181 5.351 -0.968 1.00 0.00 H new ATOM 0 HB3 ASP A 177 -9.491 3.806 -0.202 1.00 0.00 H new ATOM 788 N PHE A 178 -7.297 2.586 -1.566 1.00 0.00 N ATOM 789 CA PHE A 178 -6.907 1.846 -2.770 1.00 0.00 C ATOM 790 C PHE A 178 -7.111 2.660 -4.052 1.00 0.00 C ATOM 791 O PHE A 178 -6.302 2.581 -4.976 1.00 0.00 O ATOM 792 CB PHE A 178 -7.703 0.542 -2.861 1.00 0.00 C ATOM 793 CG PHE A 178 -7.013 -0.629 -2.218 1.00 0.00 C ATOM 794 CD1 PHE A 178 -6.489 -0.525 -0.940 1.00 0.00 C ATOM 795 CD2 PHE A 178 -6.890 -1.831 -2.895 1.00 0.00 C ATOM 796 CE1 PHE A 178 -5.857 -1.602 -0.348 1.00 0.00 C ATOM 797 CE2 PHE A 178 -6.258 -2.911 -2.309 1.00 0.00 C ATOM 798 CZ PHE A 178 -5.740 -2.796 -1.033 1.00 0.00 C ATOM 0 H PHE A 178 -7.831 2.033 -0.895 1.00 0.00 H new ATOM 0 HA PHE A 178 -5.842 1.633 -2.683 1.00 0.00 H new ATOM 0 HB2 PHE A 178 -8.675 0.685 -2.388 1.00 0.00 H new ATOM 0 HB3 PHE A 178 -7.890 0.312 -3.910 1.00 0.00 H new ATOM 0 HD1 PHE A 178 -6.575 0.407 -0.401 1.00 0.00 H new ATOM 0 HD2 PHE A 178 -7.293 -1.925 -3.893 1.00 0.00 H new ATOM 0 HE1 PHE A 178 -5.455 -1.510 0.650 1.00 0.00 H new ATOM 0 HE2 PHE A 178 -6.169 -3.843 -2.847 1.00 0.00 H new ATOM 0 HZ PHE A 178 -5.245 -3.638 -0.572 1.00 0.00 H new ATOM 808 N SER A 179 -8.196 3.425 -4.110 1.00 0.00 N ATOM 809 CA SER A 179 -8.499 4.230 -5.295 1.00 0.00 C ATOM 810 C SER A 179 -7.679 5.523 -5.338 1.00 0.00 C ATOM 811 O SER A 179 -7.883 6.362 -6.215 1.00 0.00 O ATOM 812 CB SER A 179 -9.993 4.562 -5.340 1.00 0.00 C ATOM 813 OG SER A 179 -10.685 3.972 -4.252 1.00 0.00 O ATOM 0 H SER A 179 -8.879 3.507 -3.357 1.00 0.00 H new ATOM 0 HA SER A 179 -8.228 3.636 -6.168 1.00 0.00 H new ATOM 0 HB2 SER A 179 -10.128 5.643 -5.316 1.00 0.00 H new ATOM 0 HB3 SER A 179 -10.418 4.208 -6.279 1.00 0.00 H new ATOM 0 HG SER A 179 -11.636 4.202 -4.306 1.00 0.00 H new ATOM 819 N GLN A 180 -6.757 5.683 -4.394 1.00 0.00 N ATOM 820 CA GLN A 180 -5.921 6.879 -4.337 1.00 0.00 C ATOM 821 C GLN A 180 -4.462 6.555 -4.653 1.00 0.00 C ATOM 822 O GLN A 180 -3.588 7.414 -4.528 1.00 0.00 O ATOM 823 CB GLN A 180 -6.015 7.520 -2.951 1.00 0.00 C ATOM 824 CG GLN A 180 -7.281 8.338 -2.717 1.00 0.00 C ATOM 825 CD GLN A 180 -8.509 7.752 -3.390 1.00 0.00 C ATOM 826 OE1 GLN A 180 -8.858 6.529 -3.015 1.00 0.00 O flip ATOM 827 NE2 GLN A 180 -9.134 8.393 -4.234 1.00 0.00 N flip ATOM 0 H GLN A 180 -6.569 5.001 -3.659 1.00 0.00 H new ATOM 0 HA GLN A 180 -6.287 7.577 -5.090 1.00 0.00 H new ATOM 0 HB2 GLN A 180 -5.960 6.735 -2.197 1.00 0.00 H new ATOM 0 HB3 GLN A 180 -5.149 8.165 -2.803 1.00 0.00 H new ATOM 0 HG2 GLN A 180 -7.464 8.413 -1.645 1.00 0.00 H new ATOM 0 HG3 GLN A 180 -7.123 9.352 -3.085 1.00 0.00 H new ATOM 0 HE21 GLN A 180 -8.828 9.331 -4.491 1.00 0.00 H new ATOM 0 HE22 GLN A 180 -9.958 7.986 -4.676 1.00 0.00 H new ATOM 836 N VAL A 181 -4.198 5.316 -5.060 1.00 0.00 N ATOM 837 CA VAL A 181 -2.839 4.899 -5.385 1.00 0.00 C ATOM 838 C VAL A 181 -2.836 3.781 -6.421 1.00 0.00 C ATOM 839 O VAL A 181 -3.890 3.275 -6.808 1.00 0.00 O ATOM 840 CB VAL A 181 -2.085 4.422 -4.129 1.00 0.00 C ATOM 841 CG1 VAL A 181 -1.916 5.565 -3.141 1.00 0.00 C ATOM 842 CG2 VAL A 181 -2.811 3.252 -3.482 1.00 0.00 C ATOM 0 H VAL A 181 -4.903 4.588 -5.172 1.00 0.00 H new ATOM 0 HA VAL A 181 -2.332 5.771 -5.798 1.00 0.00 H new ATOM 0 HB VAL A 181 -1.094 4.083 -4.430 1.00 0.00 H new ATOM 0 HG11 VAL A 181 -1.381 5.209 -2.260 1.00 0.00 H new ATOM 0 HG12 VAL A 181 -1.349 6.370 -3.609 1.00 0.00 H new ATOM 0 HG13 VAL A 181 -2.896 5.937 -2.844 1.00 0.00 H new ATOM 0 HG21 VAL A 181 -2.264 2.929 -2.597 1.00 0.00 H new ATOM 0 HG22 VAL A 181 -3.816 3.561 -3.195 1.00 0.00 H new ATOM 0 HG23 VAL A 181 -2.874 2.426 -4.191 1.00 0.00 H new ATOM 852 N VAL A 182 -1.644 3.398 -6.865 1.00 0.00 N ATOM 853 CA VAL A 182 -1.498 2.340 -7.856 1.00 0.00 C ATOM 854 C VAL A 182 -0.266 1.489 -7.572 1.00 0.00 C ATOM 855 O VAL A 182 0.743 1.988 -7.075 1.00 0.00 O ATOM 856 CB VAL A 182 -1.393 2.914 -9.282 1.00 0.00 C ATOM 857 CG1 VAL A 182 -2.734 3.466 -9.737 1.00 0.00 C ATOM 858 CG2 VAL A 182 -0.316 3.986 -9.346 1.00 0.00 C ATOM 0 H VAL A 182 -0.763 3.806 -6.553 1.00 0.00 H new ATOM 0 HA VAL A 182 -2.391 1.719 -7.788 1.00 0.00 H new ATOM 0 HB VAL A 182 -1.112 2.108 -9.959 1.00 0.00 H new ATOM 0 HG11 VAL A 182 -2.639 3.867 -10.746 1.00 0.00 H new ATOM 0 HG12 VAL A 182 -3.477 2.668 -9.732 1.00 0.00 H new ATOM 0 HG13 VAL A 182 -3.049 4.260 -9.060 1.00 0.00 H new ATOM 0 HG21 VAL A 182 -0.255 4.381 -10.360 1.00 0.00 H new ATOM 0 HG22 VAL A 182 -0.565 4.793 -8.657 1.00 0.00 H new ATOM 0 HG23 VAL A 182 0.645 3.554 -9.067 1.00 0.00 H new ATOM 868 N LYS A 183 -0.357 0.201 -7.888 1.00 0.00 N ATOM 869 CA LYS A 183 0.753 -0.719 -7.664 1.00 0.00 C ATOM 870 C LYS A 183 1.983 -0.293 -8.460 1.00 0.00 C ATOM 871 O LYS A 183 1.928 -0.155 -9.682 1.00 0.00 O ATOM 872 CB LYS A 183 0.345 -2.144 -8.048 1.00 0.00 C ATOM 873 CG LYS A 183 0.381 -3.120 -6.882 1.00 0.00 C ATOM 874 CD LYS A 183 0.108 -4.546 -7.339 1.00 0.00 C ATOM 875 CE LYS A 183 1.246 -5.482 -6.961 1.00 0.00 C ATOM 876 NZ LYS A 183 2.381 -5.387 -7.919 1.00 0.00 N ATOM 0 H LYS A 183 -1.186 -0.229 -8.299 1.00 0.00 H new ATOM 0 HA LYS A 183 1.006 -0.695 -6.604 1.00 0.00 H new ATOM 0 HB2 LYS A 183 -0.662 -2.125 -8.465 1.00 0.00 H new ATOM 0 HB3 LYS A 183 1.009 -2.504 -8.834 1.00 0.00 H new ATOM 0 HG2 LYS A 183 1.356 -3.073 -6.397 1.00 0.00 H new ATOM 0 HG3 LYS A 183 -0.360 -2.827 -6.138 1.00 0.00 H new ATOM 0 HD2 LYS A 183 -0.820 -4.901 -6.891 1.00 0.00 H new ATOM 0 HD3 LYS A 183 -0.033 -4.562 -8.420 1.00 0.00 H new ATOM 0 HE2 LYS A 183 1.596 -5.241 -5.957 1.00 0.00 H new ATOM 0 HE3 LYS A 183 0.879 -6.508 -6.933 1.00 0.00 H new ATOM 0 HZ1 LYS A 183 3.137 -6.040 -7.628 1.00 0.00 H new ATOM 0 HZ2 LYS A 183 2.053 -5.641 -8.873 1.00 0.00 H new ATOM 0 HZ3 LYS A 183 2.748 -4.414 -7.927 1.00 0.00 H new ATOM 890 N ALA A 184 3.092 -0.085 -7.759 1.00 0.00 N ATOM 891 CA ALA A 184 4.335 0.326 -8.399 1.00 0.00 C ATOM 892 C ALA A 184 5.253 -0.869 -8.630 1.00 0.00 C ATOM 893 O ALA A 184 6.032 -0.836 -9.605 1.00 0.00 O ATOM 894 CB ALA A 184 5.040 1.379 -7.557 1.00 0.00 C ATOM 895 OXT ALA A 184 5.186 -1.829 -7.833 1.00 0.00 O ATOM 0 H ALA A 184 3.155 -0.194 -6.747 1.00 0.00 H new ATOM 0 HA ALA A 184 4.090 0.757 -9.370 1.00 0.00 H new ATOM 0 HB1 ALA A 184 5.967 1.676 -8.048 1.00 0.00 H new ATOM 0 HB2 ALA A 184 4.393 2.249 -7.446 1.00 0.00 H new ATOM 0 HB3 ALA A 184 5.266 0.967 -6.574 1.00 0.00 H new TER 901 ALA A 184