USER MOD reduce.3.24.130724 H: found=0, std=0, add=763, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 762 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 103 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 124 SER OG : rot -130:sc= 0 USER MOD Set 2.1: A 93 THR OG1 : rot 180:sc= 0.633 USER MOD Set 2.2: A 106 GLN : amide:sc= 0.64 X(o=1.3,f=1.4) USER MOD Single : A 48 SER OG : rot -50:sc= 0.546 USER MOD Single : A 51 LYS NZ :NH3+ -176:sc= 1.3 (180deg=1.28) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 LYS NZ :NH3+ -159:sc= 0.117 (180deg=-0.461) USER MOD Single : A 54 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 55 CYS SG : rot 120:sc= -1.97 USER MOD Single : A 56 LYS NZ :NH3+ -152:sc= 1.11 (180deg=-0.0378) USER MOD Single : A 61 GLN : amide:sc= -0.823 X(o=-0.82,f=-0.89) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 ASN : amide:sc= -0.352 K(o=-0.35,f=-11!) USER MOD Single : A 65 THR OG1 : rot 162:sc= 0.0832 USER MOD Single : A 68 MET CE :methyl -151:sc= -0.275 (180deg=-1.28!) USER MOD Single : A 70 ASN : amide:sc= 0.461 K(o=0.46,f=-0.33) USER MOD Single : A 74 HIS : no HD1:sc= -0.0662 X(o=-0.066,f=-0.0048) USER MOD Single : A 78 TYR OH : rot 28:sc= -0.574 USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 SER OG : rot -1:sc= 0.359 USER MOD Single : A 83 GLN : amide:sc= -2.38 X(o=-2.4,f=-2) USER MOD Single : A 84 THR OG1 : rot 180:sc= 0 USER MOD Single : A 88 HIS : no HD1:sc= -0.171 K(o=-0.17,f=-0.7) USER MOD Single : A 95 SER OG : rot 180:sc= -0.42 USER MOD Single : A 101 GLN :FLIP amide:sc= -0.881 F(o=-1.5!,f=-0.88) USER MOD Single : A 102 LYS NZ :NH3+ 168:sc= 0.0467 (180deg=-0.0337) USER MOD Single : A 109 SER OG : rot -4:sc= 1.98 USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 111 LYS NZ :NH3+ -121:sc= 0.871 (180deg=0.591) USER MOD Single : A 120 THR OG1 : rot 73:sc= 0.294 USER MOD Single : A 127 GLN :FLIP amide:sc= -0.283 F(o=-2.2!,f=-0.28) USER MOD Single : A 129 LYS NZ :NH3+ -170:sc= -0.0178 (180deg=-0.167) USER MOD Single : A 135 SER OG : rot 180:sc= -0.0528 USER MOD Single : A 138 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 48 8.563 -24.135 -11.813 1.00 44.35 N ATOM 2 CA SER A 48 9.866 -23.450 -11.948 1.00 54.10 C ATOM 3 C SER A 48 9.686 -21.934 -11.841 1.00 21.35 C ATOM 4 O SER A 48 10.454 -21.164 -12.421 1.00 25.24 O ATOM 5 CB SER A 48 10.512 -23.820 -13.289 1.00 22.55 C ATOM 6 OG SER A 48 11.843 -23.330 -13.380 1.00 13.42 O ATOM 0 HA SER A 48 10.521 -23.774 -11.140 1.00 54.10 H new ATOM 0 HB2 SER A 48 10.514 -24.904 -13.406 1.00 22.55 H new ATOM 0 HB3 SER A 48 9.916 -23.412 -14.106 1.00 22.55 H new ATOM 0 HG SER A 48 11.858 -22.378 -13.146 1.00 13.42 H new ATOM 12 N ASP A 49 8.684 -21.512 -11.075 1.00 3.45 N ATOM 13 CA ASP A 49 8.399 -20.094 -10.891 1.00 70.12 C ATOM 14 C ASP A 49 9.267 -19.545 -9.754 1.00 5.54 C ATOM 15 O ASP A 49 9.016 -19.818 -8.580 1.00 64.14 O ATOM 16 CB ASP A 49 6.910 -19.898 -10.591 1.00 14.01 C ATOM 17 CG ASP A 49 6.490 -18.445 -10.626 1.00 4.30 C ATOM 18 OD1 ASP A 49 6.973 -17.704 -11.504 1.00 21.54 O ATOM 19 OD2 ASP A 49 5.661 -18.040 -9.784 1.00 53.32 O ATOM 0 H ASP A 49 8.054 -22.135 -10.570 1.00 3.45 H new ATOM 0 HA ASP A 49 8.635 -19.547 -11.804 1.00 70.12 H new ATOM 0 HB2 ASP A 49 6.321 -20.459 -11.317 1.00 14.01 H new ATOM 0 HB3 ASP A 49 6.685 -20.313 -9.609 1.00 14.01 H new ATOM 24 N PRO A 50 10.303 -18.767 -10.098 1.00 75.31 N ATOM 25 CA PRO A 50 11.375 -18.400 -9.172 1.00 74.33 C ATOM 26 C PRO A 50 11.110 -17.133 -8.355 1.00 63.14 C ATOM 27 O PRO A 50 12.048 -16.427 -7.976 1.00 42.51 O ATOM 28 CB PRO A 50 12.547 -18.186 -10.124 1.00 13.33 C ATOM 29 CG PRO A 50 11.927 -17.638 -11.366 1.00 50.11 C ATOM 30 CD PRO A 50 10.518 -18.178 -11.430 1.00 52.55 C ATOM 0 HA PRO A 50 11.520 -19.161 -8.405 1.00 74.33 H new ATOM 0 HB2 PRO A 50 13.276 -17.492 -9.706 1.00 13.33 H new ATOM 0 HB3 PRO A 50 13.073 -19.120 -10.322 1.00 13.33 H new ATOM 0 HG2 PRO A 50 11.922 -16.548 -11.346 1.00 50.11 H new ATOM 0 HG3 PRO A 50 12.496 -17.938 -12.246 1.00 50.11 H new ATOM 0 HD2 PRO A 50 9.797 -17.388 -11.639 1.00 52.55 H new ATOM 0 HD3 PRO A 50 10.411 -18.923 -12.218 1.00 52.55 H new ATOM 38 N LYS A 51 9.850 -16.847 -8.066 1.00 45.42 N ATOM 39 CA LYS A 51 9.527 -15.751 -7.161 1.00 33.20 C ATOM 40 C LYS A 51 9.679 -16.218 -5.721 1.00 72.34 C ATOM 41 O LYS A 51 8.708 -16.600 -5.067 1.00 24.24 O ATOM 42 CB LYS A 51 8.116 -15.224 -7.412 1.00 64.03 C ATOM 43 CG LYS A 51 7.986 -14.411 -8.689 1.00 62.33 C ATOM 44 CD LYS A 51 6.881 -14.945 -9.583 1.00 63.14 C ATOM 45 CE LYS A 51 5.536 -14.968 -8.874 1.00 61.42 C ATOM 46 NZ LYS A 51 4.489 -15.598 -9.718 1.00 60.33 N ATOM 0 H LYS A 51 9.044 -17.349 -8.438 1.00 45.42 H new ATOM 0 HA LYS A 51 10.220 -14.930 -7.346 1.00 33.20 H new ATOM 0 HB2 LYS A 51 7.426 -16.066 -7.456 1.00 64.03 H new ATOM 0 HB3 LYS A 51 7.812 -14.607 -6.566 1.00 64.03 H new ATOM 0 HG2 LYS A 51 7.781 -13.370 -8.439 1.00 62.33 H new ATOM 0 HG3 LYS A 51 8.932 -14.428 -9.230 1.00 62.33 H new ATOM 0 HD2 LYS A 51 6.808 -14.327 -10.478 1.00 63.14 H new ATOM 0 HD3 LYS A 51 7.135 -15.953 -9.911 1.00 63.14 H new ATOM 0 HE2 LYS A 51 5.627 -15.515 -7.936 1.00 61.42 H new ATOM 0 HE3 LYS A 51 5.238 -13.950 -8.622 1.00 61.42 H new ATOM 0 HZ1 LYS A 51 3.570 -15.537 -9.234 1.00 60.33 H new ATOM 0 HZ2 LYS A 51 4.433 -15.102 -10.630 1.00 60.33 H new ATOM 0 HZ3 LYS A 51 4.729 -16.597 -9.881 1.00 60.33 H new ATOM 60 N LYS A 52 10.917 -16.215 -5.248 1.00 34.23 N ATOM 61 CA LYS A 52 11.232 -16.762 -3.941 1.00 41.21 C ATOM 62 C LYS A 52 11.034 -15.733 -2.831 1.00 13.13 C ATOM 63 O LYS A 52 11.924 -14.946 -2.512 1.00 55.42 O ATOM 64 CB LYS A 52 12.660 -17.330 -3.923 1.00 74.31 C ATOM 65 CG LYS A 52 13.743 -16.334 -4.316 1.00 70.32 C ATOM 66 CD LYS A 52 15.109 -16.995 -4.400 1.00 33.31 C ATOM 67 CE LYS A 52 15.458 -17.738 -3.118 1.00 54.21 C ATOM 68 NZ LYS A 52 16.774 -18.422 -3.213 1.00 50.44 N ATOM 0 H LYS A 52 11.719 -15.839 -5.753 1.00 34.23 H new ATOM 0 HA LYS A 52 10.535 -17.577 -3.748 1.00 41.21 H new ATOM 0 HB2 LYS A 52 12.875 -17.705 -2.922 1.00 74.31 H new ATOM 0 HB3 LYS A 52 12.706 -18.183 -4.600 1.00 74.31 H new ATOM 0 HG2 LYS A 52 13.495 -15.887 -5.279 1.00 70.32 H new ATOM 0 HG3 LYS A 52 13.775 -15.524 -3.587 1.00 70.32 H new ATOM 0 HD2 LYS A 52 15.125 -17.691 -5.239 1.00 33.31 H new ATOM 0 HD3 LYS A 52 15.867 -16.238 -4.599 1.00 33.31 H new ATOM 0 HE2 LYS A 52 15.473 -17.036 -2.284 1.00 54.21 H new ATOM 0 HE3 LYS A 52 14.682 -18.472 -2.902 1.00 54.21 H new ATOM 0 HZ1 LYS A 52 16.974 -18.916 -2.320 1.00 50.44 H new ATOM 0 HZ2 LYS A 52 16.752 -19.111 -3.992 1.00 50.44 H new ATOM 0 HZ3 LYS A 52 17.519 -17.719 -3.394 1.00 50.44 H new ATOM 82 N LYS A 53 9.843 -15.732 -2.262 1.00 51.01 N ATOM 83 CA LYS A 53 9.544 -14.906 -1.105 1.00 31.44 C ATOM 84 C LYS A 53 9.497 -15.772 0.147 1.00 35.51 C ATOM 85 O LYS A 53 8.500 -16.444 0.413 1.00 2.24 O ATOM 86 CB LYS A 53 8.219 -14.161 -1.293 1.00 0.51 C ATOM 87 CG LYS A 53 7.129 -15.000 -1.941 1.00 11.33 C ATOM 88 CD LYS A 53 5.747 -14.457 -1.622 1.00 74.21 C ATOM 89 CE LYS A 53 5.384 -14.703 -0.164 1.00 31.10 C ATOM 90 NZ LYS A 53 5.393 -16.152 0.168 1.00 63.44 N ATOM 0 H LYS A 53 9.060 -16.299 -2.585 1.00 51.01 H new ATOM 0 HA LYS A 53 10.333 -14.162 -0.994 1.00 31.44 H new ATOM 0 HB2 LYS A 53 7.868 -13.813 -0.322 1.00 0.51 H new ATOM 0 HB3 LYS A 53 8.394 -13.276 -1.904 1.00 0.51 H new ATOM 0 HG2 LYS A 53 7.274 -15.017 -3.021 1.00 11.33 H new ATOM 0 HG3 LYS A 53 7.206 -16.030 -1.593 1.00 11.33 H new ATOM 0 HD2 LYS A 53 5.716 -13.388 -1.832 1.00 74.21 H new ATOM 0 HD3 LYS A 53 5.009 -14.931 -2.269 1.00 74.21 H new ATOM 0 HE2 LYS A 53 6.089 -14.178 0.480 1.00 31.10 H new ATOM 0 HE3 LYS A 53 4.397 -14.289 0.040 1.00 31.10 H new ATOM 0 HZ1 LYS A 53 4.819 -16.317 1.019 1.00 63.44 H new ATOM 0 HZ2 LYS A 53 4.997 -16.693 -0.627 1.00 63.44 H new ATOM 0 HZ3 LYS A 53 6.370 -16.462 0.344 1.00 63.44 H new ATOM 104 N MET A 54 10.589 -15.766 0.899 1.00 0.55 N ATOM 105 CA MET A 54 10.707 -16.617 2.079 1.00 3.32 C ATOM 106 C MET A 54 9.822 -16.115 3.216 1.00 22.42 C ATOM 107 O MET A 54 9.414 -16.889 4.082 1.00 62.23 O ATOM 108 CB MET A 54 12.166 -16.692 2.550 1.00 12.14 C ATOM 109 CG MET A 54 12.713 -15.376 3.075 1.00 73.41 C ATOM 110 SD MET A 54 14.408 -15.520 3.669 1.00 64.31 S ATOM 111 CE MET A 54 14.649 -13.893 4.374 1.00 4.22 C ATOM 0 H MET A 54 11.406 -15.183 0.715 1.00 0.55 H new ATOM 0 HA MET A 54 10.372 -17.615 1.797 1.00 3.32 H new ATOM 0 HB2 MET A 54 12.246 -17.446 3.333 1.00 12.14 H new ATOM 0 HB3 MET A 54 12.788 -17.027 1.720 1.00 12.14 H new ATOM 0 HG2 MET A 54 12.671 -14.628 2.284 1.00 73.41 H new ATOM 0 HG3 MET A 54 12.077 -15.019 3.885 1.00 73.41 H new ATOM 0 HE1 MET A 54 15.655 -13.821 4.786 1.00 4.22 H new ATOM 0 HE2 MET A 54 14.519 -13.138 3.599 1.00 4.22 H new ATOM 0 HE3 MET A 54 13.919 -13.728 5.167 1.00 4.22 H new ATOM 121 N CYS A 55 9.513 -14.826 3.211 1.00 13.35 N ATOM 122 CA CYS A 55 8.726 -14.239 4.281 1.00 32.44 C ATOM 123 C CYS A 55 7.854 -13.106 3.756 1.00 3.32 C ATOM 124 O CYS A 55 8.164 -12.492 2.735 1.00 64.34 O ATOM 125 CB CYS A 55 9.651 -13.729 5.392 1.00 32.02 C ATOM 126 SG CYS A 55 8.790 -13.112 6.858 1.00 51.32 S ATOM 0 H CYS A 55 9.794 -14.171 2.481 1.00 13.35 H new ATOM 0 HA CYS A 55 8.071 -15.008 4.689 1.00 32.44 H new ATOM 0 HB2 CYS A 55 10.319 -14.537 5.691 1.00 32.02 H new ATOM 0 HB3 CYS A 55 10.276 -12.931 4.990 1.00 32.02 H new ATOM 0 HG CYS A 55 9.147 -13.809 7.896 1.00 51.32 H new ATOM 132 N LYS A 56 6.762 -12.850 4.459 1.00 0.11 N ATOM 133 CA LYS A 56 5.838 -11.786 4.106 1.00 15.32 C ATOM 134 C LYS A 56 6.181 -10.528 4.911 1.00 10.02 C ATOM 135 O LYS A 56 6.618 -9.518 4.350 1.00 64.43 O ATOM 136 CB LYS A 56 4.406 -12.274 4.364 1.00 71.42 C ATOM 137 CG LYS A 56 3.309 -11.268 4.068 1.00 22.32 C ATOM 138 CD LYS A 56 1.972 -11.977 3.897 1.00 52.22 C ATOM 139 CE LYS A 56 0.799 -11.083 4.256 1.00 1.44 C ATOM 140 NZ LYS A 56 0.700 -10.879 5.724 1.00 74.31 N ATOM 0 H LYS A 56 6.492 -13.375 5.291 1.00 0.11 H new ATOM 0 HA LYS A 56 5.921 -11.527 3.050 1.00 15.32 H new ATOM 0 HB2 LYS A 56 4.230 -13.165 3.761 1.00 71.42 H new ATOM 0 HB3 LYS A 56 4.326 -12.575 5.408 1.00 71.42 H new ATOM 0 HG2 LYS A 56 3.243 -10.543 4.879 1.00 22.32 H new ATOM 0 HG3 LYS A 56 3.551 -10.712 3.163 1.00 22.32 H new ATOM 0 HD2 LYS A 56 1.869 -12.311 2.865 1.00 52.22 H new ATOM 0 HD3 LYS A 56 1.953 -12.868 4.524 1.00 52.22 H new ATOM 0 HE2 LYS A 56 0.910 -10.119 3.760 1.00 1.44 H new ATOM 0 HE3 LYS A 56 -0.125 -11.527 3.886 1.00 1.44 H new ATOM 0 HZ1 LYS A 56 -0.291 -10.700 5.984 1.00 74.31 H new ATOM 0 HZ2 LYS A 56 1.039 -11.730 6.216 1.00 74.31 H new ATOM 0 HZ3 LYS A 56 1.283 -10.064 6.001 1.00 74.31 H new ATOM 154 N GLU A 57 6.001 -10.604 6.223 1.00 1.14 N ATOM 155 CA GLU A 57 6.504 -9.582 7.130 1.00 1.33 C ATOM 156 C GLU A 57 7.084 -10.243 8.375 1.00 53.31 C ATOM 157 O GLU A 57 6.582 -11.269 8.839 1.00 13.23 O ATOM 158 CB GLU A 57 5.418 -8.565 7.518 1.00 25.21 C ATOM 159 CG GLU A 57 4.238 -9.146 8.287 1.00 35.00 C ATOM 160 CD GLU A 57 3.295 -9.934 7.408 1.00 1.14 C ATOM 161 OE1 GLU A 57 2.469 -9.312 6.714 1.00 15.03 O ATOM 162 OE2 GLU A 57 3.379 -11.181 7.400 1.00 23.13 O ATOM 0 H GLU A 57 5.507 -11.368 6.685 1.00 1.14 H new ATOM 0 HA GLU A 57 7.286 -9.029 6.610 1.00 1.33 H new ATOM 0 HB2 GLU A 57 5.875 -7.780 8.121 1.00 25.21 H new ATOM 0 HB3 GLU A 57 5.043 -8.092 6.610 1.00 25.21 H new ATOM 0 HG2 GLU A 57 4.611 -9.792 9.082 1.00 35.00 H new ATOM 0 HG3 GLU A 57 3.689 -8.336 8.766 1.00 35.00 H new ATOM 169 N ARG A 58 8.151 -9.664 8.901 1.00 20.30 N ATOM 170 CA ARG A 58 8.837 -10.239 10.050 1.00 33.52 C ATOM 171 C ARG A 58 9.231 -9.154 11.049 1.00 75.33 C ATOM 172 O ARG A 58 9.269 -9.391 12.255 1.00 23.10 O ATOM 173 CB ARG A 58 10.076 -11.046 9.617 1.00 2.01 C ATOM 174 CG ARG A 58 11.109 -10.263 8.810 1.00 22.43 C ATOM 175 CD ARG A 58 10.693 -10.083 7.354 1.00 3.44 C ATOM 176 NE ARG A 58 11.686 -9.327 6.592 1.00 61.03 N ATOM 177 CZ ARG A 58 11.471 -8.803 5.386 1.00 14.33 C ATOM 178 NH1 ARG A 58 10.298 -8.960 4.781 1.00 42.22 N ATOM 179 NH2 ARG A 58 12.439 -8.134 4.772 1.00 74.10 N ATOM 0 H ARG A 58 8.561 -8.798 8.553 1.00 20.30 H new ATOM 0 HA ARG A 58 8.142 -10.923 10.538 1.00 33.52 H new ATOM 0 HB2 ARG A 58 10.560 -11.445 10.508 1.00 2.01 H new ATOM 0 HB3 ARG A 58 9.746 -11.899 9.025 1.00 2.01 H new ATOM 0 HG2 ARG A 58 11.257 -9.284 9.267 1.00 22.43 H new ATOM 0 HG3 ARG A 58 12.067 -10.782 8.850 1.00 22.43 H new ATOM 0 HD2 ARG A 58 10.550 -11.061 6.894 1.00 3.44 H new ATOM 0 HD3 ARG A 58 9.734 -9.567 7.312 1.00 3.44 H new ATOM 0 HE ARG A 58 12.606 -9.192 7.012 1.00 61.03 H new ATOM 0 HH11 ARG A 58 9.554 -9.485 5.240 1.00 42.22 H new ATOM 0 HH12 ARG A 58 10.142 -8.555 3.858 1.00 42.22 H new ATOM 0 HH21 ARG A 58 13.347 -8.021 5.223 1.00 74.10 H new ATOM 0 HH22 ARG A 58 12.275 -7.733 3.849 1.00 74.10 H new ATOM 193 N ILE A 59 9.515 -7.962 10.544 1.00 73.44 N ATOM 194 CA ILE A 59 9.871 -6.838 11.396 1.00 75.20 C ATOM 195 C ILE A 59 8.695 -5.871 11.491 1.00 74.24 C ATOM 196 O ILE A 59 8.145 -5.467 10.464 1.00 65.41 O ATOM 197 CB ILE A 59 11.115 -6.095 10.850 1.00 5.40 C ATOM 198 CG1 ILE A 59 12.301 -7.059 10.739 1.00 63.13 C ATOM 199 CG2 ILE A 59 11.474 -4.908 11.738 1.00 41.42 C ATOM 200 CD1 ILE A 59 13.542 -6.434 10.133 1.00 11.54 C ATOM 0 H ILE A 59 9.506 -7.749 9.547 1.00 73.44 H new ATOM 0 HA ILE A 59 10.111 -7.224 12.387 1.00 75.20 H new ATOM 0 HB ILE A 59 10.878 -5.714 9.857 1.00 5.40 H new ATOM 0 HG12 ILE A 59 12.544 -7.437 11.732 1.00 63.13 H new ATOM 0 HG13 ILE A 59 12.005 -7.916 10.135 1.00 63.13 H new ATOM 0 HG21 ILE A 59 12.351 -4.403 11.333 1.00 41.42 H new ATOM 0 HG22 ILE A 59 10.636 -4.211 11.770 1.00 41.42 H new ATOM 0 HG23 ILE A 59 11.692 -5.261 12.746 1.00 41.42 H new ATOM 0 HD11 ILE A 59 14.338 -7.177 10.087 1.00 11.54 H new ATOM 0 HD12 ILE A 59 13.317 -6.081 9.127 1.00 11.54 H new ATOM 0 HD13 ILE A 59 13.864 -5.594 10.749 1.00 11.54 H new ATOM 212 N PRO A 60 8.286 -5.506 12.721 1.00 40.10 N ATOM 213 CA PRO A 60 7.178 -4.564 12.963 1.00 11.33 C ATOM 214 C PRO A 60 7.433 -3.186 12.345 1.00 41.02 C ATOM 215 O PRO A 60 8.489 -2.942 11.761 1.00 13.40 O ATOM 216 CB PRO A 60 7.116 -4.459 14.493 1.00 3.35 C ATOM 217 CG PRO A 60 8.444 -4.942 14.969 1.00 75.10 C ATOM 218 CD PRO A 60 8.874 -5.987 13.983 1.00 14.42 C ATOM 0 HA PRO A 60 6.250 -4.912 12.509 1.00 11.33 H new ATOM 0 HB2 PRO A 60 6.933 -3.433 14.811 1.00 3.35 H new ATOM 0 HB3 PRO A 60 6.307 -5.067 14.898 1.00 3.35 H new ATOM 0 HG2 PRO A 60 9.165 -4.125 15.013 1.00 75.10 H new ATOM 0 HG3 PRO A 60 8.372 -5.358 15.974 1.00 75.10 H new ATOM 0 HD2 PRO A 60 9.960 -6.062 13.921 1.00 14.42 H new ATOM 0 HD3 PRO A 60 8.501 -6.975 14.252 1.00 14.42 H new ATOM 226 N GLN A 61 6.470 -2.285 12.481 1.00 31.24 N ATOM 227 CA GLN A 61 6.578 -0.969 11.869 1.00 75.25 C ATOM 228 C GLN A 61 5.930 0.103 12.733 1.00 64.32 C ATOM 229 O GLN A 61 4.712 0.105 12.925 1.00 2.11 O ATOM 230 CB GLN A 61 5.916 -0.976 10.490 1.00 10.03 C ATOM 231 CG GLN A 61 6.042 0.335 9.722 1.00 32.31 C ATOM 232 CD GLN A 61 7.472 0.661 9.340 1.00 1.53 C ATOM 233 OE1 GLN A 61 7.971 0.206 8.311 1.00 14.55 O ATOM 234 NE2 GLN A 61 8.127 1.484 10.139 1.00 24.44 N ATOM 0 H GLN A 61 5.610 -2.440 13.007 1.00 31.24 H new ATOM 0 HA GLN A 61 7.638 -0.737 11.770 1.00 75.25 H new ATOM 0 HB2 GLN A 61 6.356 -1.775 9.894 1.00 10.03 H new ATOM 0 HB3 GLN A 61 4.859 -1.212 10.610 1.00 10.03 H new ATOM 0 HG2 GLN A 61 5.434 0.281 8.819 1.00 32.31 H new ATOM 0 HG3 GLN A 61 5.640 1.146 10.329 1.00 32.31 H new ATOM 0 HE21 GLN A 61 7.679 1.840 10.983 1.00 24.44 H new ATOM 0 HE22 GLN A 61 9.081 1.764 9.912 1.00 24.44 H new ATOM 243 N PRO A 62 6.744 1.015 13.283 1.00 14.34 N ATOM 244 CA PRO A 62 6.240 2.216 13.950 1.00 50.43 C ATOM 245 C PRO A 62 5.454 3.098 12.982 1.00 14.22 C ATOM 246 O PRO A 62 5.759 3.130 11.787 1.00 24.15 O ATOM 247 CB PRO A 62 7.509 2.937 14.424 1.00 1.20 C ATOM 248 CG PRO A 62 8.618 2.351 13.618 1.00 21.41 C ATOM 249 CD PRO A 62 8.212 0.936 13.321 1.00 10.23 C ATOM 0 HA PRO A 62 5.555 1.980 14.764 1.00 50.43 H new ATOM 0 HB2 PRO A 62 7.433 4.013 14.265 1.00 1.20 H new ATOM 0 HB3 PRO A 62 7.674 2.783 15.490 1.00 1.20 H new ATOM 0 HG2 PRO A 62 8.771 2.914 12.697 1.00 21.41 H new ATOM 0 HG3 PRO A 62 9.558 2.380 14.169 1.00 21.41 H new ATOM 0 HD2 PRO A 62 8.622 0.589 12.373 1.00 10.23 H new ATOM 0 HD3 PRO A 62 8.559 0.246 14.090 1.00 10.23 H new ATOM 257 N LYS A 63 4.448 3.796 13.518 1.00 3.13 N ATOM 258 CA LYS A 63 3.532 4.649 12.743 1.00 53.44 C ATOM 259 C LYS A 63 3.069 3.974 11.448 1.00 55.12 C ATOM 260 O LYS A 63 3.136 4.557 10.362 1.00 63.52 O ATOM 261 CB LYS A 63 4.128 6.045 12.466 1.00 34.12 C ATOM 262 CG LYS A 63 5.408 6.060 11.643 1.00 35.34 C ATOM 263 CD LYS A 63 5.772 7.470 11.207 1.00 74.02 C ATOM 264 CE LYS A 63 4.695 8.061 10.308 1.00 73.31 C ATOM 265 NZ LYS A 63 5.015 9.451 9.889 1.00 22.30 N ATOM 0 H LYS A 63 4.241 3.786 14.517 1.00 3.13 H new ATOM 0 HA LYS A 63 2.649 4.793 13.366 1.00 53.44 H new ATOM 0 HB2 LYS A 63 3.378 6.645 11.950 1.00 34.12 H new ATOM 0 HB3 LYS A 63 4.325 6.533 13.421 1.00 34.12 H new ATOM 0 HG2 LYS A 63 6.224 5.637 12.229 1.00 35.34 H new ATOM 0 HG3 LYS A 63 5.285 5.427 10.765 1.00 35.34 H new ATOM 0 HD2 LYS A 63 5.905 8.102 12.085 1.00 74.02 H new ATOM 0 HD3 LYS A 63 6.725 7.456 10.677 1.00 74.02 H new ATOM 0 HE2 LYS A 63 4.578 7.434 9.424 1.00 73.31 H new ATOM 0 HE3 LYS A 63 3.740 8.052 10.834 1.00 73.31 H new ATOM 0 HZ1 LYS A 63 4.255 9.813 9.279 1.00 22.30 H new ATOM 0 HZ2 LYS A 63 5.101 10.056 10.730 1.00 22.30 H new ATOM 0 HZ3 LYS A 63 5.913 9.457 9.364 1.00 22.30 H new ATOM 279 N ASN A 64 2.583 2.746 11.587 1.00 13.34 N ATOM 280 CA ASN A 64 2.050 1.980 10.464 1.00 20.13 C ATOM 281 C ASN A 64 0.913 2.739 9.795 1.00 31.13 C ATOM 282 O ASN A 64 -0.125 3.001 10.403 1.00 60.41 O ATOM 283 CB ASN A 64 1.536 0.633 10.957 1.00 31.45 C ATOM 284 CG ASN A 64 1.217 -0.340 9.837 1.00 52.23 C ATOM 285 OD1 ASN A 64 0.889 0.052 8.721 1.00 14.11 O ATOM 286 ND2 ASN A 64 1.294 -1.622 10.138 1.00 40.43 N ATOM 0 H ASN A 64 2.547 2.253 12.479 1.00 13.34 H new ATOM 0 HA ASN A 64 2.849 1.825 9.739 1.00 20.13 H new ATOM 0 HB2 ASN A 64 2.283 0.186 11.614 1.00 31.45 H new ATOM 0 HB3 ASN A 64 0.639 0.792 11.556 1.00 31.45 H new ATOM 0 HD21 ASN A 64 1.077 -2.326 9.432 1.00 40.43 H new ATOM 0 HD22 ASN A 64 1.570 -1.910 11.077 1.00 40.43 H new ATOM 293 N THR A 65 1.118 3.072 8.539 1.00 4.01 N ATOM 294 CA THR A 65 0.152 3.828 7.769 1.00 63.42 C ATOM 295 C THR A 65 -1.074 2.987 7.433 1.00 50.54 C ATOM 296 O THR A 65 -2.178 3.510 7.276 1.00 72.11 O ATOM 297 CB THR A 65 0.816 4.323 6.486 1.00 74.43 C ATOM 298 OG1 THR A 65 1.376 3.205 5.790 1.00 55.01 O ATOM 299 CG2 THR A 65 1.914 5.314 6.824 1.00 35.45 C ATOM 0 H THR A 65 1.961 2.826 8.021 1.00 4.01 H new ATOM 0 HA THR A 65 -0.184 4.675 8.367 1.00 63.42 H new ATOM 0 HB THR A 65 0.074 4.816 5.857 1.00 74.43 H new ATOM 0 HG1 THR A 65 1.536 3.449 4.854 1.00 55.01 H new ATOM 0 HG21 THR A 65 2.384 5.664 5.905 1.00 35.45 H new ATOM 0 HG22 THR A 65 1.487 6.162 7.358 1.00 35.45 H new ATOM 0 HG23 THR A 65 2.661 4.829 7.452 1.00 35.45 H new ATOM 307 N VAL A 66 -0.872 1.679 7.342 1.00 61.41 N ATOM 308 CA VAL A 66 -1.958 0.748 7.083 1.00 32.01 C ATOM 309 C VAL A 66 -2.931 0.764 8.249 1.00 32.41 C ATOM 310 O VAL A 66 -4.149 0.764 8.068 1.00 73.21 O ATOM 311 CB VAL A 66 -1.429 -0.684 6.883 1.00 11.25 C ATOM 312 CG1 VAL A 66 -2.562 -1.646 6.569 1.00 2.44 C ATOM 313 CG2 VAL A 66 -0.377 -0.707 5.789 1.00 53.44 C ATOM 0 H VAL A 66 0.042 1.238 7.445 1.00 61.41 H new ATOM 0 HA VAL A 66 -2.462 1.061 6.169 1.00 32.01 H new ATOM 0 HB VAL A 66 -0.966 -1.013 7.814 1.00 11.25 H new ATOM 0 HG11 VAL A 66 -2.160 -2.650 6.433 1.00 2.44 H new ATOM 0 HG12 VAL A 66 -3.275 -1.650 7.393 1.00 2.44 H new ATOM 0 HG13 VAL A 66 -3.065 -1.330 5.655 1.00 2.44 H new ATOM 0 HG21 VAL A 66 -0.011 -1.725 5.657 1.00 53.44 H new ATOM 0 HG22 VAL A 66 -0.816 -0.356 4.855 1.00 53.44 H new ATOM 0 HG23 VAL A 66 0.452 -0.057 6.068 1.00 53.44 H new ATOM 323 N ALA A 67 -2.373 0.791 9.449 1.00 23.23 N ATOM 324 CA ALA A 67 -3.169 0.891 10.658 1.00 5.13 C ATOM 325 C ALA A 67 -3.925 2.215 10.673 1.00 42.25 C ATOM 326 O ALA A 67 -5.097 2.269 11.041 1.00 33.12 O ATOM 327 CB ALA A 67 -2.277 0.753 11.884 1.00 21.34 C ATOM 0 H ALA A 67 -1.367 0.745 9.610 1.00 23.23 H new ATOM 0 HA ALA A 67 -3.899 0.081 10.679 1.00 5.13 H new ATOM 0 HB1 ALA A 67 -2.884 0.829 12.786 1.00 21.34 H new ATOM 0 HB2 ALA A 67 -1.778 -0.216 11.864 1.00 21.34 H new ATOM 0 HB3 ALA A 67 -1.530 1.546 11.881 1.00 21.34 H new ATOM 333 N MET A 68 -3.246 3.269 10.231 1.00 52.31 N ATOM 334 CA MET A 68 -3.842 4.601 10.129 1.00 72.44 C ATOM 335 C MET A 68 -5.036 4.589 9.177 1.00 30.21 C ATOM 336 O MET A 68 -6.092 5.141 9.481 1.00 70.00 O ATOM 337 CB MET A 68 -2.809 5.607 9.609 1.00 32.04 C ATOM 338 CG MET A 68 -1.599 5.802 10.506 1.00 14.40 C ATOM 339 SD MET A 68 -1.923 6.923 11.881 1.00 53.30 S ATOM 340 CE MET A 68 -2.313 8.436 11.001 1.00 71.22 C ATOM 0 H MET A 68 -2.271 3.227 9.934 1.00 52.31 H new ATOM 0 HA MET A 68 -4.176 4.893 11.125 1.00 72.44 H new ATOM 0 HB2 MET A 68 -2.466 5.279 8.627 1.00 32.04 H new ATOM 0 HB3 MET A 68 -3.299 6.571 9.470 1.00 32.04 H new ATOM 0 HG2 MET A 68 -1.283 4.835 10.898 1.00 14.40 H new ATOM 0 HG3 MET A 68 -0.771 6.191 9.913 1.00 14.40 H new ATOM 0 HE1 MET A 68 -2.038 9.295 11.614 1.00 71.22 H new ATOM 0 HE2 MET A 68 -1.757 8.466 10.064 1.00 71.22 H new ATOM 0 HE3 MET A 68 -3.382 8.469 10.790 1.00 71.22 H new ATOM 350 N LEU A 69 -4.855 3.959 8.021 1.00 25.13 N ATOM 351 CA LEU A 69 -5.892 3.902 6.997 1.00 50.32 C ATOM 352 C LEU A 69 -7.147 3.211 7.512 1.00 62.33 C ATOM 353 O LEU A 69 -8.262 3.627 7.197 1.00 52.20 O ATOM 354 CB LEU A 69 -5.378 3.175 5.758 1.00 74.02 C ATOM 355 CG LEU A 69 -5.386 4.005 4.475 1.00 33.51 C ATOM 356 CD1 LEU A 69 -4.953 3.162 3.288 1.00 43.24 C ATOM 357 CD2 LEU A 69 -6.764 4.596 4.230 1.00 55.01 C ATOM 0 H LEU A 69 -3.992 3.477 7.769 1.00 25.13 H new ATOM 0 HA LEU A 69 -6.149 4.928 6.734 1.00 50.32 H new ATOM 0 HB2 LEU A 69 -4.359 2.838 5.949 1.00 74.02 H new ATOM 0 HB3 LEU A 69 -5.984 2.283 5.600 1.00 74.02 H new ATOM 0 HG LEU A 69 -4.675 4.823 4.594 1.00 33.51 H new ATOM 0 HD11 LEU A 69 -4.966 3.772 2.385 1.00 43.24 H new ATOM 0 HD12 LEU A 69 -3.944 2.786 3.458 1.00 43.24 H new ATOM 0 HD13 LEU A 69 -5.638 2.323 3.169 1.00 43.24 H new ATOM 0 HD21 LEU A 69 -6.750 5.184 3.312 1.00 55.01 H new ATOM 0 HD22 LEU A 69 -7.493 3.791 4.135 1.00 55.01 H new ATOM 0 HD23 LEU A 69 -7.039 5.238 5.067 1.00 55.01 H new ATOM 369 N ASN A 70 -6.958 2.168 8.316 1.00 43.10 N ATOM 370 CA ASN A 70 -8.079 1.423 8.878 1.00 44.11 C ATOM 371 C ASN A 70 -8.875 2.300 9.831 1.00 52.21 C ATOM 372 O ASN A 70 -10.077 2.110 10.015 1.00 5.15 O ATOM 373 CB ASN A 70 -7.594 0.170 9.609 1.00 13.41 C ATOM 374 CG ASN A 70 -7.357 -1.006 8.678 1.00 55.31 C ATOM 375 OD1 ASN A 70 -8.266 -1.793 8.414 1.00 1.32 O ATOM 376 ND2 ASN A 70 -6.138 -1.144 8.181 1.00 12.11 N ATOM 0 H ASN A 70 -6.040 1.820 8.592 1.00 43.10 H new ATOM 0 HA ASN A 70 -8.723 1.115 8.054 1.00 44.11 H new ATOM 0 HB2 ASN A 70 -6.669 0.400 10.138 1.00 13.41 H new ATOM 0 HB3 ASN A 70 -8.330 -0.112 10.362 1.00 13.41 H new ATOM 0 HD21 ASN A 70 -5.927 -1.923 7.557 1.00 12.11 H new ATOM 0 HD22 ASN A 70 -5.410 -0.472 8.422 1.00 12.11 H new ATOM 383 N GLU A 71 -8.195 3.263 10.434 1.00 14.34 N ATOM 384 CA GLU A 71 -8.838 4.202 11.334 1.00 63.24 C ATOM 385 C GLU A 71 -9.604 5.255 10.542 1.00 4.12 C ATOM 386 O GLU A 71 -10.727 5.615 10.894 1.00 34.20 O ATOM 387 CB GLU A 71 -7.796 4.873 12.227 1.00 11.34 C ATOM 388 CG GLU A 71 -6.881 3.890 12.932 1.00 44.23 C ATOM 389 CD GLU A 71 -5.976 4.556 13.943 1.00 30.43 C ATOM 390 OE1 GLU A 71 -6.485 5.046 14.975 1.00 75.22 O ATOM 391 OE2 GLU A 71 -4.752 4.588 13.720 1.00 2.32 O ATOM 0 H GLU A 71 -7.193 3.413 10.314 1.00 14.34 H new ATOM 0 HA GLU A 71 -9.542 3.656 11.962 1.00 63.24 H new ATOM 0 HB2 GLU A 71 -7.192 5.550 11.622 1.00 11.34 H new ATOM 0 HB3 GLU A 71 -8.306 5.482 12.973 1.00 11.34 H new ATOM 0 HG2 GLU A 71 -7.485 3.134 13.434 1.00 44.23 H new ATOM 0 HG3 GLU A 71 -6.272 3.372 12.191 1.00 44.23 H new ATOM 398 N LEU A 72 -8.994 5.725 9.459 1.00 24.23 N ATOM 399 CA LEU A 72 -9.595 6.758 8.626 1.00 72.43 C ATOM 400 C LEU A 72 -10.826 6.242 7.896 1.00 55.21 C ATOM 401 O LEU A 72 -11.923 6.766 8.069 1.00 22.10 O ATOM 402 CB LEU A 72 -8.584 7.293 7.608 1.00 1.54 C ATOM 403 CG LEU A 72 -7.417 8.090 8.195 1.00 45.42 C ATOM 404 CD1 LEU A 72 -6.493 8.563 7.086 1.00 11.01 C ATOM 405 CD2 LEU A 72 -7.930 9.277 8.994 1.00 62.04 C ATOM 0 H LEU A 72 -8.080 5.405 9.138 1.00 24.23 H new ATOM 0 HA LEU A 72 -9.900 7.567 9.289 1.00 72.43 H new ATOM 0 HB2 LEU A 72 -8.180 6.451 7.046 1.00 1.54 H new ATOM 0 HB3 LEU A 72 -9.112 7.927 6.896 1.00 1.54 H new ATOM 0 HG LEU A 72 -6.856 7.439 8.865 1.00 45.42 H new ATOM 0 HD11 LEU A 72 -5.667 9.129 7.517 1.00 11.01 H new ATOM 0 HD12 LEU A 72 -6.100 7.701 6.547 1.00 11.01 H new ATOM 0 HD13 LEU A 72 -7.048 9.199 6.397 1.00 11.01 H new ATOM 0 HD21 LEU A 72 -7.086 9.832 9.404 1.00 62.04 H new ATOM 0 HD22 LEU A 72 -8.512 9.930 8.343 1.00 62.04 H new ATOM 0 HD23 LEU A 72 -8.561 8.922 9.809 1.00 62.04 H new ATOM 417 N ARG A 73 -10.648 5.211 7.083 1.00 14.34 N ATOM 418 CA ARG A 73 -11.732 4.722 6.244 1.00 44.34 C ATOM 419 C ARG A 73 -11.885 3.211 6.358 1.00 34.04 C ATOM 420 O ARG A 73 -11.056 2.531 6.962 1.00 12.31 O ATOM 421 CB ARG A 73 -11.481 5.100 4.779 1.00 34.14 C ATOM 422 CG ARG A 73 -11.398 6.598 4.533 1.00 41.23 C ATOM 423 CD ARG A 73 -12.733 7.286 4.775 1.00 21.50 C ATOM 424 NE ARG A 73 -13.745 6.891 3.795 1.00 14.13 N ATOM 425 CZ ARG A 73 -15.033 6.709 4.085 1.00 73.43 C ATOM 426 NH1 ARG A 73 -15.465 6.845 5.333 1.00 74.24 N ATOM 427 NH2 ARG A 73 -15.894 6.399 3.126 1.00 4.34 N ATOM 0 H ARG A 73 -9.770 4.700 6.987 1.00 14.34 H new ATOM 0 HA ARG A 73 -12.654 5.189 6.591 1.00 44.34 H new ATOM 0 HB2 ARG A 73 -10.552 4.636 4.449 1.00 34.14 H new ATOM 0 HB3 ARG A 73 -12.280 4.685 4.165 1.00 34.14 H new ATOM 0 HG2 ARG A 73 -10.642 7.032 5.187 1.00 41.23 H new ATOM 0 HG3 ARG A 73 -11.076 6.781 3.508 1.00 41.23 H new ATOM 0 HD2 ARG A 73 -13.087 7.045 5.777 1.00 21.50 H new ATOM 0 HD3 ARG A 73 -12.595 8.367 4.737 1.00 21.50 H new ATOM 0 HE ARG A 73 -13.446 6.746 2.831 1.00 14.13 H new ATOM 0 HH11 ARG A 73 -14.810 7.090 6.076 1.00 74.24 H new ATOM 0 HH12 ARG A 73 -16.452 6.705 5.549 1.00 74.24 H new ATOM 0 HH21 ARG A 73 -15.571 6.299 2.164 1.00 4.34 H new ATOM 0 HH22 ARG A 73 -16.879 6.260 3.351 1.00 4.34 H new ATOM 441 N HIS A 74 -12.961 2.700 5.782 1.00 63.24 N ATOM 442 CA HIS A 74 -13.183 1.267 5.682 1.00 12.23 C ATOM 443 C HIS A 74 -13.357 0.889 4.217 1.00 72.43 C ATOM 444 O HIS A 74 -13.745 1.728 3.403 1.00 25.21 O ATOM 445 CB HIS A 74 -14.410 0.843 6.502 1.00 54.50 C ATOM 446 CG HIS A 74 -15.660 1.617 6.193 1.00 10.13 C ATOM 447 ND1 HIS A 74 -16.199 2.561 7.037 1.00 55.33 N ATOM 448 CD2 HIS A 74 -16.486 1.565 5.116 1.00 52.53 C ATOM 449 CE1 HIS A 74 -17.307 3.044 6.463 1.00 21.33 C ATOM 450 NE2 HIS A 74 -17.525 2.473 5.292 1.00 11.33 N ATOM 0 H HIS A 74 -13.704 3.266 5.371 1.00 63.24 H new ATOM 0 HA HIS A 74 -12.319 0.743 6.090 1.00 12.23 H new ATOM 0 HB2 HIS A 74 -14.600 -0.216 6.327 1.00 54.50 H new ATOM 0 HB3 HIS A 74 -14.180 0.955 7.562 1.00 54.50 H new ATOM 0 HD2 HIS A 74 -16.357 0.921 4.259 1.00 52.53 H new ATOM 0 HE1 HIS A 74 -17.940 3.802 6.900 1.00 21.33 H new ATOM 0 HE2 HIS A 74 -18.295 2.659 4.650 1.00 11.33 H new ATOM 458 N GLY A 75 -13.066 -0.356 3.876 1.00 64.53 N ATOM 459 CA GLY A 75 -13.152 -0.770 2.495 1.00 3.04 C ATOM 460 C GLY A 75 -11.821 -0.620 1.799 1.00 21.23 C ATOM 461 O GLY A 75 -11.760 -0.232 0.636 1.00 10.52 O ATOM 0 H GLY A 75 -12.773 -1.083 4.528 1.00 64.53 H new ATOM 0 HA2 GLY A 75 -13.478 -1.809 2.443 1.00 3.04 H new ATOM 0 HA3 GLY A 75 -13.905 -0.174 1.979 1.00 3.04 H new ATOM 465 N LEU A 76 -10.752 -0.902 2.532 1.00 44.34 N ATOM 466 CA LEU A 76 -9.406 -0.817 1.996 1.00 63.30 C ATOM 467 C LEU A 76 -8.843 -2.215 1.771 1.00 53.02 C ATOM 468 O LEU A 76 -8.512 -2.932 2.716 1.00 42.43 O ATOM 469 CB LEU A 76 -8.483 -0.004 2.925 1.00 14.05 C ATOM 470 CG LEU A 76 -8.408 -0.463 4.388 1.00 62.22 C ATOM 471 CD1 LEU A 76 -7.151 0.074 5.043 1.00 54.22 C ATOM 472 CD2 LEU A 76 -9.624 0.005 5.172 1.00 55.33 C ATOM 0 H LEU A 76 -10.796 -1.194 3.508 1.00 44.34 H new ATOM 0 HA LEU A 76 -9.453 -0.297 1.039 1.00 63.30 H new ATOM 0 HB2 LEU A 76 -7.476 -0.025 2.509 1.00 14.05 H new ATOM 0 HB3 LEU A 76 -8.813 1.035 2.910 1.00 14.05 H new ATOM 0 HG LEU A 76 -8.386 -1.553 4.394 1.00 62.22 H new ATOM 0 HD11 LEU A 76 -7.110 -0.259 6.080 1.00 54.22 H new ATOM 0 HD12 LEU A 76 -6.276 -0.296 4.509 1.00 54.22 H new ATOM 0 HD13 LEU A 76 -7.162 1.164 5.012 1.00 54.22 H new ATOM 0 HD21 LEU A 76 -9.544 -0.334 6.205 1.00 55.33 H new ATOM 0 HD22 LEU A 76 -9.674 1.094 5.151 1.00 55.33 H new ATOM 0 HD23 LEU A 76 -10.527 -0.408 4.723 1.00 55.33 H new ATOM 484 N ILE A 77 -8.771 -2.610 0.512 1.00 72.24 N ATOM 485 CA ILE A 77 -8.294 -3.936 0.156 1.00 12.01 C ATOM 486 C ILE A 77 -6.889 -3.856 -0.428 1.00 11.31 C ATOM 487 O ILE A 77 -6.682 -3.250 -1.479 1.00 11.21 O ATOM 488 CB ILE A 77 -9.231 -4.629 -0.866 1.00 33.21 C ATOM 489 CG1 ILE A 77 -10.679 -4.645 -0.355 1.00 5.41 C ATOM 490 CG2 ILE A 77 -8.755 -6.050 -1.157 1.00 33.40 C ATOM 491 CD1 ILE A 77 -11.486 -3.427 -0.753 1.00 54.55 C ATOM 0 H ILE A 77 -9.038 -2.030 -0.283 1.00 72.24 H new ATOM 0 HA ILE A 77 -8.282 -4.529 1.070 1.00 12.01 H new ATOM 0 HB ILE A 77 -9.200 -4.057 -1.793 1.00 33.21 H new ATOM 0 HG12 ILE A 77 -11.177 -5.538 -0.733 1.00 5.41 H new ATOM 0 HG13 ILE A 77 -10.669 -4.722 0.732 1.00 5.41 H new ATOM 0 HG21 ILE A 77 -9.427 -6.518 -1.877 1.00 33.40 H new ATOM 0 HG22 ILE A 77 -7.746 -6.019 -1.569 1.00 33.40 H new ATOM 0 HG23 ILE A 77 -8.752 -6.629 -0.233 1.00 33.40 H new ATOM 0 HD11 ILE A 77 -12.497 -3.514 -0.354 1.00 54.55 H new ATOM 0 HD12 ILE A 77 -11.013 -2.530 -0.352 1.00 54.55 H new ATOM 0 HD13 ILE A 77 -11.530 -3.359 -1.840 1.00 54.55 H new ATOM 503 N TYR A 78 -5.928 -4.453 0.264 1.00 42.00 N ATOM 504 CA TYR A 78 -4.545 -4.472 -0.203 1.00 61.33 C ATOM 505 C TYR A 78 -4.264 -5.762 -0.954 1.00 21.31 C ATOM 506 O TYR A 78 -4.476 -6.853 -0.423 1.00 34.41 O ATOM 507 CB TYR A 78 -3.563 -4.362 0.966 1.00 22.23 C ATOM 508 CG TYR A 78 -3.687 -3.099 1.779 1.00 43.41 C ATOM 509 CD1 TYR A 78 -4.596 -3.014 2.821 1.00 41.40 C ATOM 510 CD2 TYR A 78 -2.877 -2.001 1.520 1.00 14.40 C ATOM 511 CE1 TYR A 78 -4.701 -1.873 3.583 1.00 62.51 C ATOM 512 CE2 TYR A 78 -2.971 -0.853 2.285 1.00 22.34 C ATOM 513 CZ TYR A 78 -3.887 -0.797 3.315 1.00 33.20 C ATOM 514 OH TYR A 78 -3.986 0.335 4.084 1.00 75.13 O ATOM 0 H TYR A 78 -6.079 -4.932 1.152 1.00 42.00 H new ATOM 0 HA TYR A 78 -4.410 -3.615 -0.863 1.00 61.33 H new ATOM 0 HB2 TYR A 78 -3.708 -5.218 1.626 1.00 22.23 H new ATOM 0 HB3 TYR A 78 -2.547 -4.428 0.576 1.00 22.23 H new ATOM 0 HD1 TYR A 78 -5.233 -3.858 3.039 1.00 41.40 H new ATOM 0 HD2 TYR A 78 -2.164 -2.044 0.710 1.00 14.40 H new ATOM 0 HE1 TYR A 78 -5.419 -1.823 4.388 1.00 62.51 H new ATOM 0 HE2 TYR A 78 -2.332 -0.007 2.078 1.00 22.34 H new ATOM 0 HH TYR A 78 -4.300 0.095 4.981 1.00 75.13 H new ATOM 524 N LYS A 79 -3.784 -5.641 -2.178 1.00 15.32 N ATOM 525 CA LYS A 79 -3.467 -6.806 -2.986 1.00 72.31 C ATOM 526 C LYS A 79 -2.136 -6.607 -3.702 1.00 3.54 C ATOM 527 O LYS A 79 -1.795 -5.494 -4.095 1.00 31.44 O ATOM 528 CB LYS A 79 -4.594 -7.070 -3.992 1.00 0.14 C ATOM 529 CG LYS A 79 -4.860 -5.903 -4.932 1.00 63.14 C ATOM 530 CD LYS A 79 -6.093 -6.135 -5.790 1.00 5.31 C ATOM 531 CE LYS A 79 -7.367 -6.128 -4.959 1.00 12.44 C ATOM 532 NZ LYS A 79 -8.576 -6.332 -5.799 1.00 25.45 N ATOM 0 H LYS A 79 -3.605 -4.747 -2.636 1.00 15.32 H new ATOM 0 HA LYS A 79 -3.376 -7.675 -2.335 1.00 72.31 H new ATOM 0 HB2 LYS A 79 -4.343 -7.951 -4.583 1.00 0.14 H new ATOM 0 HB3 LYS A 79 -5.509 -7.302 -3.447 1.00 0.14 H new ATOM 0 HG2 LYS A 79 -4.989 -4.990 -4.350 1.00 63.14 H new ATOM 0 HG3 LYS A 79 -3.994 -5.751 -5.576 1.00 63.14 H new ATOM 0 HD2 LYS A 79 -6.154 -5.362 -6.556 1.00 5.31 H new ATOM 0 HD3 LYS A 79 -6.002 -7.090 -6.308 1.00 5.31 H new ATOM 0 HE2 LYS A 79 -7.313 -6.912 -4.204 1.00 12.44 H new ATOM 0 HE3 LYS A 79 -7.449 -5.180 -4.428 1.00 12.44 H new ATOM 0 HZ1 LYS A 79 -9.423 -6.321 -5.196 1.00 25.45 H new ATOM 0 HZ2 LYS A 79 -8.642 -5.570 -6.503 1.00 25.45 H new ATOM 0 HZ3 LYS A 79 -8.510 -7.248 -6.286 1.00 25.45 H new ATOM 546 N LEU A 80 -1.375 -7.678 -3.845 1.00 61.11 N ATOM 547 CA LEU A 80 -0.110 -7.612 -4.558 1.00 71.42 C ATOM 548 C LEU A 80 -0.367 -7.726 -6.050 1.00 42.23 C ATOM 549 O LEU A 80 -0.793 -8.777 -6.535 1.00 43.23 O ATOM 550 CB LEU A 80 0.827 -8.738 -4.109 1.00 33.15 C ATOM 551 CG LEU A 80 2.226 -8.698 -4.730 1.00 42.34 C ATOM 552 CD1 LEU A 80 3.023 -7.529 -4.178 1.00 42.25 C ATOM 553 CD2 LEU A 80 2.959 -10.008 -4.491 1.00 12.22 C ATOM 0 H LEU A 80 -1.609 -8.601 -3.479 1.00 61.11 H new ATOM 0 HA LEU A 80 0.367 -6.658 -4.336 1.00 71.42 H new ATOM 0 HB2 LEU A 80 0.926 -8.698 -3.024 1.00 33.15 H new ATOM 0 HB3 LEU A 80 0.365 -9.695 -4.352 1.00 33.15 H new ATOM 0 HG LEU A 80 2.118 -8.561 -5.806 1.00 42.34 H new ATOM 0 HD11 LEU A 80 4.014 -7.518 -4.632 1.00 42.25 H new ATOM 0 HD12 LEU A 80 2.508 -6.596 -4.408 1.00 42.25 H new ATOM 0 HD13 LEU A 80 3.120 -7.633 -3.097 1.00 42.25 H new ATOM 0 HD21 LEU A 80 3.951 -9.957 -4.941 1.00 12.22 H new ATOM 0 HD22 LEU A 80 3.055 -10.181 -3.419 1.00 12.22 H new ATOM 0 HD23 LEU A 80 2.398 -10.826 -4.942 1.00 12.22 H new ATOM 565 N GLU A 81 -0.139 -6.646 -6.780 1.00 73.31 N ATOM 566 CA GLU A 81 -0.374 -6.668 -8.215 1.00 31.23 C ATOM 567 C GLU A 81 0.901 -6.987 -8.984 1.00 62.24 C ATOM 568 O GLU A 81 0.847 -7.483 -10.107 1.00 1.31 O ATOM 569 CB GLU A 81 -0.985 -5.354 -8.714 1.00 65.45 C ATOM 570 CG GLU A 81 -0.199 -4.102 -8.355 1.00 71.03 C ATOM 571 CD GLU A 81 -0.631 -2.905 -9.181 1.00 14.40 C ATOM 572 OE1 GLU A 81 -1.793 -2.456 -9.042 1.00 72.34 O ATOM 573 OE2 GLU A 81 0.182 -2.415 -9.994 1.00 72.42 O ATOM 0 H GLU A 81 0.202 -5.758 -6.412 1.00 73.31 H new ATOM 0 HA GLU A 81 -1.095 -7.464 -8.402 1.00 31.23 H new ATOM 0 HB2 GLU A 81 -1.083 -5.405 -9.798 1.00 65.45 H new ATOM 0 HB3 GLU A 81 -1.992 -5.262 -8.307 1.00 65.45 H new ATOM 0 HG2 GLU A 81 -0.334 -3.880 -7.296 1.00 71.03 H new ATOM 0 HG3 GLU A 81 0.864 -4.285 -8.509 1.00 71.03 H new ATOM 580 N SER A 82 2.050 -6.710 -8.386 1.00 62.22 N ATOM 581 CA SER A 82 3.320 -6.959 -9.052 1.00 23.11 C ATOM 582 C SER A 82 4.446 -7.162 -8.049 1.00 73.41 C ATOM 583 O SER A 82 4.453 -6.560 -6.976 1.00 51.00 O ATOM 584 CB SER A 82 3.658 -5.797 -9.991 1.00 12.45 C ATOM 585 OG SER A 82 2.682 -5.666 -11.015 1.00 14.51 O ATOM 0 H SER A 82 2.130 -6.316 -7.449 1.00 62.22 H new ATOM 0 HA SER A 82 3.218 -7.876 -9.632 1.00 23.11 H new ATOM 0 HB2 SER A 82 3.718 -4.870 -9.421 1.00 12.45 H new ATOM 0 HB3 SER A 82 4.639 -5.960 -10.438 1.00 12.45 H new ATOM 0 HG SER A 82 2.006 -6.368 -10.914 1.00 14.51 H new ATOM 591 N GLN A 83 5.382 -8.027 -8.401 1.00 45.20 N ATOM 592 CA GLN A 83 6.577 -8.242 -7.604 1.00 24.01 C ATOM 593 C GLN A 83 7.759 -8.460 -8.540 1.00 43.11 C ATOM 594 O GLN A 83 7.791 -9.433 -9.294 1.00 54.32 O ATOM 595 CB GLN A 83 6.385 -9.441 -6.662 1.00 24.45 C ATOM 596 CG GLN A 83 7.444 -9.550 -5.573 1.00 2.30 C ATOM 597 CD GLN A 83 8.756 -10.137 -6.056 1.00 0.22 C ATOM 598 OE1 GLN A 83 8.785 -10.994 -6.935 1.00 34.32 O ATOM 599 NE2 GLN A 83 9.852 -9.660 -5.494 1.00 43.44 N ATOM 0 H GLN A 83 5.335 -8.598 -9.245 1.00 45.20 H new ATOM 0 HA GLN A 83 6.771 -7.367 -6.983 1.00 24.01 H new ATOM 0 HB2 GLN A 83 5.403 -9.368 -6.194 1.00 24.45 H new ATOM 0 HB3 GLN A 83 6.390 -10.358 -7.252 1.00 24.45 H new ATOM 0 HG2 GLN A 83 7.630 -8.559 -5.159 1.00 2.30 H new ATOM 0 HG3 GLN A 83 7.057 -10.167 -4.762 1.00 2.30 H new ATOM 0 HE21 GLN A 83 9.784 -8.948 -4.767 1.00 43.44 H new ATOM 0 HE22 GLN A 83 10.767 -10.004 -5.787 1.00 43.44 H new ATOM 608 N THR A 84 8.714 -7.540 -8.503 1.00 23.43 N ATOM 609 CA THR A 84 9.846 -7.561 -9.419 1.00 54.34 C ATOM 610 C THR A 84 11.093 -6.989 -8.754 1.00 2.02 C ATOM 611 O THR A 84 11.006 -6.020 -8.003 1.00 23.14 O ATOM 612 CB THR A 84 9.542 -6.732 -10.688 1.00 2.12 C ATOM 613 OG1 THR A 84 9.015 -5.450 -10.312 1.00 65.23 O ATOM 614 CG2 THR A 84 8.552 -7.441 -11.601 1.00 64.14 C ATOM 0 H THR A 84 8.726 -6.763 -7.842 1.00 23.43 H new ATOM 0 HA THR A 84 10.021 -8.601 -9.693 1.00 54.34 H new ATOM 0 HB THR A 84 10.475 -6.608 -11.237 1.00 2.12 H new ATOM 0 HG1 THR A 84 8.825 -4.926 -11.118 1.00 65.23 H new ATOM 0 HG21 THR A 84 8.364 -6.826 -12.481 1.00 64.14 H new ATOM 0 HG22 THR A 84 8.965 -8.401 -11.910 1.00 64.14 H new ATOM 0 HG23 THR A 84 7.616 -7.604 -11.066 1.00 64.14 H new ATOM 622 N GLY A 85 12.245 -7.589 -9.013 1.00 45.32 N ATOM 623 CA GLY A 85 13.484 -7.036 -8.505 1.00 55.05 C ATOM 624 C GLY A 85 14.478 -8.104 -8.104 1.00 62.14 C ATOM 625 O GLY A 85 14.197 -9.296 -8.244 1.00 53.34 O ATOM 0 H GLY A 85 12.345 -8.443 -9.562 1.00 45.32 H new ATOM 0 HA2 GLY A 85 13.931 -6.397 -9.266 1.00 55.05 H new ATOM 0 HA3 GLY A 85 13.269 -6.404 -7.644 1.00 55.05 H new ATOM 629 N PRO A 86 15.655 -7.701 -7.599 1.00 1.41 N ATOM 630 CA PRO A 86 16.691 -8.636 -7.146 1.00 63.35 C ATOM 631 C PRO A 86 16.273 -9.366 -5.874 1.00 31.11 C ATOM 632 O PRO A 86 15.313 -8.979 -5.223 1.00 12.04 O ATOM 633 CB PRO A 86 17.890 -7.726 -6.871 1.00 31.02 C ATOM 634 CG PRO A 86 17.297 -6.396 -6.569 1.00 43.41 C ATOM 635 CD PRO A 86 16.066 -6.295 -7.425 1.00 42.43 C ATOM 0 HA PRO A 86 16.895 -9.418 -7.878 1.00 63.35 H new ATOM 0 HB2 PRO A 86 18.482 -8.094 -6.033 1.00 31.02 H new ATOM 0 HB3 PRO A 86 18.555 -7.676 -7.734 1.00 31.02 H new ATOM 0 HG2 PRO A 86 17.047 -6.310 -5.512 1.00 43.41 H new ATOM 0 HG3 PRO A 86 17.999 -5.594 -6.797 1.00 43.41 H new ATOM 0 HD2 PRO A 86 15.287 -5.706 -6.941 1.00 42.43 H new ATOM 0 HD3 PRO A 86 16.279 -5.817 -8.381 1.00 42.43 H new ATOM 643 N VAL A 87 16.997 -10.414 -5.515 1.00 41.00 N ATOM 644 CA VAL A 87 16.651 -11.191 -4.332 1.00 71.43 C ATOM 645 C VAL A 87 17.110 -10.482 -3.056 1.00 75.41 C ATOM 646 O VAL A 87 16.534 -10.680 -1.986 1.00 52.02 O ATOM 647 CB VAL A 87 17.246 -12.620 -4.395 1.00 44.53 C ATOM 648 CG1 VAL A 87 18.762 -12.596 -4.298 1.00 74.42 C ATOM 649 CG2 VAL A 87 16.649 -13.503 -3.310 1.00 70.23 C ATOM 0 H VAL A 87 17.820 -10.745 -6.019 1.00 41.00 H new ATOM 0 HA VAL A 87 15.565 -11.278 -4.310 1.00 71.43 H new ATOM 0 HB VAL A 87 16.984 -13.044 -5.364 1.00 44.53 H new ATOM 0 HG11 VAL A 87 19.146 -13.615 -4.345 1.00 74.42 H new ATOM 0 HG12 VAL A 87 19.170 -12.016 -5.125 1.00 74.42 H new ATOM 0 HG13 VAL A 87 19.059 -12.140 -3.354 1.00 74.42 H new ATOM 0 HG21 VAL A 87 17.082 -14.501 -3.374 1.00 70.23 H new ATOM 0 HG22 VAL A 87 16.867 -13.075 -2.332 1.00 70.23 H new ATOM 0 HG23 VAL A 87 15.569 -13.566 -3.446 1.00 70.23 H new ATOM 659 N HIS A 88 18.133 -9.636 -3.175 1.00 74.13 N ATOM 660 CA HIS A 88 18.662 -8.928 -2.013 1.00 30.14 C ATOM 661 C HIS A 88 17.782 -7.730 -1.659 1.00 4.44 C ATOM 662 O HIS A 88 17.740 -7.296 -0.508 1.00 22.54 O ATOM 663 CB HIS A 88 20.119 -8.486 -2.246 1.00 4.14 C ATOM 664 CG HIS A 88 20.304 -7.377 -3.246 1.00 0.34 C ATOM 665 ND1 HIS A 88 20.575 -7.577 -4.580 1.00 10.43 N ATOM 666 CD2 HIS A 88 20.267 -6.030 -3.072 1.00 75.23 C ATOM 667 CE1 HIS A 88 20.691 -6.378 -5.163 1.00 45.42 C ATOM 668 NE2 HIS A 88 20.513 -5.404 -4.290 1.00 23.15 N ATOM 0 H HIS A 88 18.606 -9.427 -4.054 1.00 74.13 H new ATOM 0 HA HIS A 88 18.653 -9.619 -1.170 1.00 30.14 H new ATOM 0 HB2 HIS A 88 20.541 -8.167 -1.293 1.00 4.14 H new ATOM 0 HB3 HIS A 88 20.695 -9.350 -2.577 1.00 4.14 H new ATOM 0 HD2 HIS A 88 20.077 -5.525 -2.136 1.00 75.23 H new ATOM 0 HE1 HIS A 88 20.903 -6.227 -6.211 1.00 45.42 H new ATOM 0 HE2 HIS A 88 20.548 -4.401 -4.471 1.00 23.15 H new ATOM 676 N ALA A 89 17.078 -7.203 -2.653 1.00 5.45 N ATOM 677 CA ALA A 89 16.174 -6.078 -2.440 1.00 21.22 C ATOM 678 C ALA A 89 15.033 -6.105 -3.452 1.00 2.11 C ATOM 679 O ALA A 89 14.962 -5.258 -4.347 1.00 2.30 O ATOM 680 CB ALA A 89 16.927 -4.756 -2.516 1.00 70.40 C ATOM 0 H ALA A 89 17.115 -7.537 -3.616 1.00 5.45 H new ATOM 0 HA ALA A 89 15.748 -6.170 -1.441 1.00 21.22 H new ATOM 0 HB1 ALA A 89 16.232 -3.932 -2.354 1.00 70.40 H new ATOM 0 HB2 ALA A 89 17.701 -4.734 -1.749 1.00 70.40 H new ATOM 0 HB3 ALA A 89 17.387 -4.655 -3.499 1.00 70.40 H new ATOM 686 N PRO A 90 14.132 -7.089 -3.332 1.00 54.44 N ATOM 687 CA PRO A 90 13.014 -7.243 -4.260 1.00 1.44 C ATOM 688 C PRO A 90 11.968 -6.160 -4.066 1.00 52.12 C ATOM 689 O PRO A 90 11.717 -5.723 -2.947 1.00 44.11 O ATOM 690 CB PRO A 90 12.438 -8.614 -3.909 1.00 42.11 C ATOM 691 CG PRO A 90 12.832 -8.853 -2.492 1.00 50.12 C ATOM 692 CD PRO A 90 14.127 -8.122 -2.278 1.00 33.13 C ATOM 0 HA PRO A 90 13.329 -7.161 -5.300 1.00 1.44 H new ATOM 0 HB2 PRO A 90 11.354 -8.627 -4.024 1.00 42.11 H new ATOM 0 HB3 PRO A 90 12.837 -9.388 -4.564 1.00 42.11 H new ATOM 0 HG2 PRO A 90 12.064 -8.489 -1.810 1.00 50.12 H new ATOM 0 HG3 PRO A 90 12.952 -9.919 -2.298 1.00 50.12 H new ATOM 0 HD2 PRO A 90 14.175 -7.678 -1.284 1.00 33.13 H new ATOM 0 HD3 PRO A 90 14.983 -8.791 -2.370 1.00 33.13 H new ATOM 700 N LEU A 91 11.364 -5.717 -5.153 1.00 34.24 N ATOM 701 CA LEU A 91 10.348 -4.691 -5.063 1.00 4.33 C ATOM 702 C LEU A 91 8.962 -5.307 -5.151 1.00 23.11 C ATOM 703 O LEU A 91 8.672 -6.110 -6.039 1.00 72.33 O ATOM 704 CB LEU A 91 10.516 -3.648 -6.160 1.00 11.44 C ATOM 705 CG LEU A 91 9.566 -2.458 -6.047 1.00 21.21 C ATOM 706 CD1 LEU A 91 10.000 -1.526 -4.927 1.00 3.25 C ATOM 707 CD2 LEU A 91 9.485 -1.720 -7.366 1.00 42.54 C ATOM 0 H LEU A 91 11.558 -6.049 -6.098 1.00 34.24 H new ATOM 0 HA LEU A 91 10.462 -4.197 -4.098 1.00 4.33 H new ATOM 0 HB2 LEU A 91 11.542 -3.281 -6.142 1.00 11.44 H new ATOM 0 HB3 LEU A 91 10.365 -4.128 -7.127 1.00 11.44 H new ATOM 0 HG LEU A 91 8.571 -2.832 -5.804 1.00 21.21 H new ATOM 0 HD11 LEU A 91 9.309 -0.685 -4.865 1.00 3.25 H new ATOM 0 HD12 LEU A 91 9.998 -2.068 -3.981 1.00 3.25 H new ATOM 0 HD13 LEU A 91 11.005 -1.155 -5.131 1.00 3.25 H new ATOM 0 HD21 LEU A 91 8.804 -0.875 -7.269 1.00 42.54 H new ATOM 0 HD22 LEU A 91 10.475 -1.358 -7.642 1.00 42.54 H new ATOM 0 HD23 LEU A 91 9.117 -2.395 -8.139 1.00 42.54 H new ATOM 719 N PHE A 92 8.121 -4.922 -4.219 1.00 12.12 N ATOM 720 CA PHE A 92 6.757 -5.402 -4.152 1.00 3.32 C ATOM 721 C PHE A 92 5.815 -4.258 -4.469 1.00 35.51 C ATOM 722 O PHE A 92 6.060 -3.123 -4.064 1.00 32.45 O ATOM 723 CB PHE A 92 6.459 -5.967 -2.760 1.00 35.44 C ATOM 724 CG PHE A 92 7.170 -7.255 -2.456 1.00 54.42 C ATOM 725 CD1 PHE A 92 8.553 -7.301 -2.381 1.00 23.21 C ATOM 726 CD2 PHE A 92 6.452 -8.417 -2.231 1.00 13.45 C ATOM 727 CE1 PHE A 92 9.205 -8.481 -2.085 1.00 53.34 C ATOM 728 CE2 PHE A 92 7.100 -9.602 -1.936 1.00 74.11 C ATOM 729 CZ PHE A 92 8.479 -9.633 -1.864 1.00 64.45 C ATOM 0 H PHE A 92 8.364 -4.262 -3.480 1.00 12.12 H new ATOM 0 HA PHE A 92 6.617 -6.201 -4.880 1.00 3.32 H new ATOM 0 HB2 PHE A 92 6.737 -5.225 -2.011 1.00 35.44 H new ATOM 0 HB3 PHE A 92 5.385 -6.127 -2.667 1.00 35.44 H new ATOM 0 HD1 PHE A 92 9.127 -6.403 -2.556 1.00 23.21 H new ATOM 0 HD2 PHE A 92 5.374 -8.398 -2.287 1.00 13.45 H new ATOM 0 HE1 PHE A 92 10.283 -8.502 -2.026 1.00 53.34 H new ATOM 0 HE2 PHE A 92 6.529 -10.502 -1.762 1.00 74.11 H new ATOM 0 HZ PHE A 92 8.988 -10.558 -1.635 1.00 64.45 H new ATOM 739 N THR A 93 4.757 -4.547 -5.197 1.00 32.23 N ATOM 740 CA THR A 93 3.817 -3.526 -5.603 1.00 31.23 C ATOM 741 C THR A 93 2.419 -3.877 -5.119 1.00 55.11 C ATOM 742 O THR A 93 1.742 -4.737 -5.688 1.00 45.30 O ATOM 743 CB THR A 93 3.824 -3.356 -7.132 1.00 33.13 C ATOM 744 OG1 THR A 93 5.178 -3.261 -7.591 1.00 62.43 O ATOM 745 CG2 THR A 93 3.054 -2.109 -7.541 1.00 33.52 C ATOM 0 H THR A 93 4.526 -5.486 -5.521 1.00 32.23 H new ATOM 0 HA THR A 93 4.120 -2.581 -5.152 1.00 31.23 H new ATOM 0 HB THR A 93 3.339 -4.221 -7.584 1.00 33.13 H new ATOM 0 HG1 THR A 93 5.186 -3.154 -8.565 1.00 62.43 H new ATOM 0 HG21 THR A 93 3.073 -2.010 -8.626 1.00 33.52 H new ATOM 0 HG22 THR A 93 2.021 -2.191 -7.202 1.00 33.52 H new ATOM 0 HG23 THR A 93 3.516 -1.231 -7.088 1.00 33.52 H new ATOM 753 N ILE A 94 2.015 -3.227 -4.044 1.00 11.15 N ATOM 754 CA ILE A 94 0.718 -3.460 -3.444 1.00 4.23 C ATOM 755 C ILE A 94 -0.256 -2.389 -3.897 1.00 53.14 C ATOM 756 O ILE A 94 0.049 -1.195 -3.848 1.00 23.14 O ATOM 757 CB ILE A 94 0.809 -3.456 -1.901 1.00 60.20 C ATOM 758 CG1 ILE A 94 1.629 -4.655 -1.410 1.00 55.25 C ATOM 759 CG2 ILE A 94 -0.580 -3.454 -1.273 1.00 64.23 C ATOM 760 CD1 ILE A 94 0.852 -5.950 -1.317 1.00 53.14 C ATOM 0 H ILE A 94 2.577 -2.524 -3.564 1.00 11.15 H new ATOM 0 HA ILE A 94 0.366 -4.440 -3.766 1.00 4.23 H new ATOM 0 HB ILE A 94 1.317 -2.543 -1.591 1.00 60.20 H new ATOM 0 HG12 ILE A 94 2.475 -4.801 -2.082 1.00 55.25 H new ATOM 0 HG13 ILE A 94 2.039 -4.421 -0.428 1.00 55.25 H new ATOM 0 HG21 ILE A 94 -0.488 -3.451 -0.187 1.00 64.23 H new ATOM 0 HG22 ILE A 94 -1.123 -2.565 -1.594 1.00 64.23 H new ATOM 0 HG23 ILE A 94 -1.123 -4.345 -1.589 1.00 64.23 H new ATOM 0 HD11 ILE A 94 1.509 -6.744 -0.962 1.00 53.14 H new ATOM 0 HD12 ILE A 94 0.022 -5.827 -0.621 1.00 53.14 H new ATOM 0 HD13 ILE A 94 0.464 -6.213 -2.301 1.00 53.14 H new ATOM 772 N SER A 95 -1.401 -2.824 -4.365 1.00 12.03 N ATOM 773 CA SER A 95 -2.452 -1.925 -4.766 1.00 73.53 C ATOM 774 C SER A 95 -3.579 -1.970 -3.752 1.00 43.13 C ATOM 775 O SER A 95 -4.081 -3.044 -3.410 1.00 45.52 O ATOM 776 CB SER A 95 -2.956 -2.314 -6.153 1.00 61.15 C ATOM 777 OG SER A 95 -3.032 -3.723 -6.287 1.00 51.24 O ATOM 0 H SER A 95 -1.629 -3.812 -4.478 1.00 12.03 H new ATOM 0 HA SER A 95 -2.067 -0.906 -4.809 1.00 73.53 H new ATOM 0 HB2 SER A 95 -3.939 -1.875 -6.323 1.00 61.15 H new ATOM 0 HB3 SER A 95 -2.289 -1.908 -6.914 1.00 61.15 H new ATOM 0 HG SER A 95 -3.358 -3.949 -7.183 1.00 51.24 H new ATOM 783 N VAL A 96 -3.952 -0.818 -3.241 1.00 41.45 N ATOM 784 CA VAL A 96 -5.054 -0.751 -2.309 1.00 14.33 C ATOM 785 C VAL A 96 -6.116 0.201 -2.819 1.00 15.32 C ATOM 786 O VAL A 96 -5.821 1.328 -3.221 1.00 42.34 O ATOM 787 CB VAL A 96 -4.611 -0.326 -0.891 1.00 53.24 C ATOM 788 CG1 VAL A 96 -3.961 1.052 -0.897 1.00 54.42 C ATOM 789 CG2 VAL A 96 -5.800 -0.358 0.063 1.00 61.21 C ATOM 0 H VAL A 96 -3.513 0.078 -3.453 1.00 41.45 H new ATOM 0 HA VAL A 96 -5.463 -1.758 -2.234 1.00 14.33 H new ATOM 0 HB VAL A 96 -3.862 -1.038 -0.545 1.00 53.24 H new ATOM 0 HG11 VAL A 96 -3.662 1.318 0.117 1.00 54.42 H new ATOM 0 HG12 VAL A 96 -3.082 1.037 -1.542 1.00 54.42 H new ATOM 0 HG13 VAL A 96 -4.673 1.788 -1.270 1.00 54.42 H new ATOM 0 HG21 VAL A 96 -5.476 -0.057 1.059 1.00 61.21 H new ATOM 0 HG22 VAL A 96 -6.569 0.328 -0.291 1.00 61.21 H new ATOM 0 HG23 VAL A 96 -6.206 -1.369 0.104 1.00 61.21 H new ATOM 799 N GLU A 97 -7.343 -0.268 -2.835 1.00 21.12 N ATOM 800 CA GLU A 97 -8.452 0.568 -3.220 1.00 31.43 C ATOM 801 C GLU A 97 -9.193 1.012 -1.976 1.00 4.23 C ATOM 802 O GLU A 97 -9.773 0.196 -1.264 1.00 34.12 O ATOM 803 CB GLU A 97 -9.381 -0.177 -4.163 1.00 64.45 C ATOM 804 CG GLU A 97 -10.290 0.739 -4.959 1.00 72.51 C ATOM 805 CD GLU A 97 -11.076 -0.004 -6.016 1.00 11.13 C ATOM 806 OE1 GLU A 97 -10.540 -0.211 -7.126 1.00 73.20 O ATOM 807 OE2 GLU A 97 -12.233 -0.387 -5.741 1.00 31.14 O ATOM 0 H GLU A 97 -7.596 -1.224 -2.586 1.00 21.12 H new ATOM 0 HA GLU A 97 -8.078 1.445 -3.748 1.00 31.43 H new ATOM 0 HB2 GLU A 97 -8.784 -0.774 -4.853 1.00 64.45 H new ATOM 0 HB3 GLU A 97 -9.992 -0.872 -3.586 1.00 64.45 H new ATOM 0 HG2 GLU A 97 -10.981 1.239 -4.281 1.00 72.51 H new ATOM 0 HG3 GLU A 97 -9.692 1.516 -5.434 1.00 72.51 H new ATOM 814 N VAL A 98 -9.141 2.302 -1.714 1.00 53.55 N ATOM 815 CA VAL A 98 -9.743 2.874 -0.522 1.00 71.42 C ATOM 816 C VAL A 98 -10.781 3.910 -0.910 1.00 73.05 C ATOM 817 O VAL A 98 -10.469 4.872 -1.611 1.00 35.43 O ATOM 818 CB VAL A 98 -8.698 3.549 0.392 1.00 31.21 C ATOM 819 CG1 VAL A 98 -9.333 3.985 1.703 1.00 44.41 C ATOM 820 CG2 VAL A 98 -7.520 2.625 0.648 1.00 11.44 C ATOM 0 H VAL A 98 -8.682 2.984 -2.318 1.00 53.55 H new ATOM 0 HA VAL A 98 -10.204 2.052 0.026 1.00 71.42 H new ATOM 0 HB VAL A 98 -8.325 4.436 -0.121 1.00 31.21 H new ATOM 0 HG11 VAL A 98 -8.580 4.458 2.333 1.00 44.41 H new ATOM 0 HG12 VAL A 98 -10.135 4.695 1.500 1.00 44.41 H new ATOM 0 HG13 VAL A 98 -9.741 3.115 2.217 1.00 44.41 H new ATOM 0 HG21 VAL A 98 -6.799 3.125 1.294 1.00 11.44 H new ATOM 0 HG22 VAL A 98 -7.871 1.714 1.133 1.00 11.44 H new ATOM 0 HG23 VAL A 98 -7.044 2.372 -0.299 1.00 11.44 H new ATOM 830 N ASP A 99 -12.018 3.678 -0.483 1.00 20.45 N ATOM 831 CA ASP A 99 -13.125 4.617 -0.697 1.00 52.41 C ATOM 832 C ASP A 99 -13.479 4.755 -2.184 1.00 1.45 C ATOM 833 O ASP A 99 -14.401 5.481 -2.557 1.00 74.15 O ATOM 834 CB ASP A 99 -12.775 5.985 -0.095 1.00 43.22 C ATOM 835 CG ASP A 99 -13.958 6.927 -0.036 1.00 24.51 C ATOM 836 OD1 ASP A 99 -14.906 6.642 0.723 1.00 74.00 O ATOM 837 OD2 ASP A 99 -13.930 7.969 -0.723 1.00 42.14 O ATOM 0 H ASP A 99 -12.286 2.834 0.022 1.00 20.45 H new ATOM 0 HA ASP A 99 -14.005 4.218 -0.193 1.00 52.41 H new ATOM 0 HB2 ASP A 99 -12.381 5.843 0.911 1.00 43.22 H new ATOM 0 HB3 ASP A 99 -11.982 6.443 -0.686 1.00 43.22 H new ATOM 842 N GLY A 100 -12.766 4.026 -3.026 1.00 64.11 N ATOM 843 CA GLY A 100 -12.978 4.117 -4.456 1.00 31.13 C ATOM 844 C GLY A 100 -11.748 4.618 -5.183 1.00 72.43 C ATOM 845 O GLY A 100 -11.757 4.770 -6.404 1.00 71.15 O ATOM 0 H GLY A 100 -12.039 3.368 -2.744 1.00 64.11 H new ATOM 0 HA2 GLY A 100 -13.254 3.137 -4.844 1.00 31.13 H new ATOM 0 HA3 GLY A 100 -13.815 4.786 -4.656 1.00 31.13 H new ATOM 849 N GLN A 101 -10.690 4.895 -4.433 1.00 31.51 N ATOM 850 CA GLN A 101 -9.429 5.322 -5.021 1.00 1.32 C ATOM 851 C GLN A 101 -8.369 4.245 -4.876 1.00 40.32 C ATOM 852 O GLN A 101 -8.177 3.694 -3.797 1.00 23.30 O ATOM 853 CB GLN A 101 -8.963 6.634 -4.388 1.00 5.22 C ATOM 854 CG GLN A 101 -9.637 7.844 -5.009 1.00 65.20 C ATOM 855 CD GLN A 101 -9.305 7.991 -6.479 1.00 75.43 C ATOM 856 OE1 GLN A 101 -10.072 7.329 -7.334 1.00 31.34 O flip ATOM 857 NE2 GLN A 101 -8.351 8.675 -6.841 1.00 41.53 N flip ATOM 0 H GLN A 101 -10.681 4.831 -3.415 1.00 31.51 H new ATOM 0 HA GLN A 101 -9.588 5.491 -6.086 1.00 1.32 H new ATOM 0 HB2 GLN A 101 -9.172 6.613 -3.318 1.00 5.22 H new ATOM 0 HB3 GLN A 101 -7.883 6.725 -4.500 1.00 5.22 H new ATOM 0 HG2 GLN A 101 -10.717 7.758 -4.889 1.00 65.20 H new ATOM 0 HG3 GLN A 101 -9.328 8.743 -4.477 1.00 65.20 H new ATOM 0 HE21 GLN A 101 -7.786 9.169 -6.150 1.00 41.53 H new ATOM 0 HE22 GLN A 101 -8.124 8.749 -7.833 1.00 41.53 H new ATOM 866 N LYS A 102 -7.689 3.944 -5.971 1.00 62.13 N ATOM 867 CA LYS A 102 -6.690 2.888 -5.976 1.00 22.34 C ATOM 868 C LYS A 102 -5.291 3.480 -5.870 1.00 34.44 C ATOM 869 O LYS A 102 -4.771 4.065 -6.823 1.00 44.11 O ATOM 870 CB LYS A 102 -6.827 2.039 -7.246 1.00 51.51 C ATOM 871 CG LYS A 102 -6.241 0.636 -7.119 1.00 52.14 C ATOM 872 CD LYS A 102 -4.746 0.589 -7.418 1.00 44.25 C ATOM 873 CE LYS A 102 -4.468 0.717 -8.909 1.00 24.11 C ATOM 874 NZ LYS A 102 -3.064 0.359 -9.258 1.00 22.54 N ATOM 0 H LYS A 102 -7.811 4.416 -6.867 1.00 62.13 H new ATOM 0 HA LYS A 102 -6.853 2.245 -5.111 1.00 22.34 H new ATOM 0 HB2 LYS A 102 -7.883 1.959 -7.505 1.00 51.51 H new ATOM 0 HB3 LYS A 102 -6.334 2.554 -8.071 1.00 51.51 H new ATOM 0 HG2 LYS A 102 -6.417 0.264 -6.110 1.00 52.14 H new ATOM 0 HG3 LYS A 102 -6.764 -0.034 -7.801 1.00 52.14 H new ATOM 0 HD2 LYS A 102 -4.242 1.394 -6.883 1.00 44.25 H new ATOM 0 HD3 LYS A 102 -4.330 -0.348 -7.049 1.00 44.25 H new ATOM 0 HE2 LYS A 102 -5.152 0.072 -9.460 1.00 24.11 H new ATOM 0 HE3 LYS A 102 -4.669 1.740 -9.227 1.00 24.11 H new ATOM 0 HZ1 LYS A 102 -2.976 0.264 -10.290 1.00 22.54 H new ATOM 0 HZ2 LYS A 102 -2.422 1.106 -8.923 1.00 22.54 H new ATOM 0 HZ3 LYS A 102 -2.813 -0.543 -8.805 1.00 22.54 H new ATOM 888 N TYR A 103 -4.695 3.332 -4.702 1.00 53.43 N ATOM 889 CA TYR A 103 -3.358 3.835 -4.448 1.00 21.22 C ATOM 890 C TYR A 103 -2.344 2.725 -4.675 1.00 50.53 C ATOM 891 O TYR A 103 -2.673 1.543 -4.548 1.00 45.34 O ATOM 892 CB TYR A 103 -3.257 4.358 -3.012 1.00 23.43 C ATOM 893 CG TYR A 103 -4.347 5.342 -2.650 1.00 65.42 C ATOM 894 CD1 TYR A 103 -4.189 6.698 -2.886 1.00 63.33 C ATOM 895 CD2 TYR A 103 -5.540 4.909 -2.078 1.00 35.11 C ATOM 896 CE1 TYR A 103 -5.183 7.600 -2.558 1.00 20.32 C ATOM 897 CE2 TYR A 103 -6.539 5.805 -1.746 1.00 74.15 C ATOM 898 CZ TYR A 103 -6.357 7.148 -1.992 1.00 4.41 C ATOM 899 OH TYR A 103 -7.345 8.046 -1.656 1.00 51.43 O ATOM 0 H TYR A 103 -5.122 2.861 -3.905 1.00 53.43 H new ATOM 0 HA TYR A 103 -3.147 4.656 -5.133 1.00 21.22 H new ATOM 0 HB2 TYR A 103 -3.297 3.514 -2.323 1.00 23.43 H new ATOM 0 HB3 TYR A 103 -2.287 4.836 -2.875 1.00 23.43 H new ATOM 0 HD1 TYR A 103 -3.274 7.056 -3.334 1.00 63.33 H new ATOM 0 HD2 TYR A 103 -5.688 3.856 -1.891 1.00 35.11 H new ATOM 0 HE1 TYR A 103 -5.041 8.654 -2.744 1.00 20.32 H new ATOM 0 HE2 TYR A 103 -7.456 5.454 -1.297 1.00 74.15 H new ATOM 0 HH TYR A 103 -8.106 7.565 -1.269 1.00 51.43 H new ATOM 909 N LEU A 104 -1.122 3.093 -5.022 1.00 33.33 N ATOM 910 CA LEU A 104 -0.092 2.107 -5.285 1.00 43.05 C ATOM 911 C LEU A 104 1.080 2.289 -4.332 1.00 41.20 C ATOM 912 O LEU A 104 1.519 3.411 -4.080 1.00 64.34 O ATOM 913 CB LEU A 104 0.393 2.214 -6.730 1.00 42.14 C ATOM 914 CG LEU A 104 1.039 0.948 -7.278 1.00 22.34 C ATOM 915 CD1 LEU A 104 0.020 -0.177 -7.316 1.00 40.11 C ATOM 916 CD2 LEU A 104 1.619 1.199 -8.660 1.00 11.15 C ATOM 0 H LEU A 104 -0.822 4.062 -5.127 1.00 33.33 H new ATOM 0 HA LEU A 104 -0.521 1.117 -5.128 1.00 43.05 H new ATOM 0 HB2 LEU A 104 -0.453 2.478 -7.365 1.00 42.14 H new ATOM 0 HB3 LEU A 104 1.111 3.031 -6.799 1.00 42.14 H new ATOM 0 HG LEU A 104 1.857 0.655 -6.619 1.00 22.34 H new ATOM 0 HD11 LEU A 104 0.489 -1.079 -7.709 1.00 40.11 H new ATOM 0 HD12 LEU A 104 -0.348 -0.369 -6.308 1.00 40.11 H new ATOM 0 HD13 LEU A 104 -0.813 0.108 -7.958 1.00 40.11 H new ATOM 0 HD21 LEU A 104 2.076 0.283 -9.035 1.00 11.15 H new ATOM 0 HD22 LEU A 104 0.824 1.511 -9.337 1.00 11.15 H new ATOM 0 HD23 LEU A 104 2.374 1.983 -8.601 1.00 11.15 H new ATOM 928 N GLY A 105 1.580 1.183 -3.807 1.00 50.14 N ATOM 929 CA GLY A 105 2.699 1.232 -2.890 1.00 12.22 C ATOM 930 C GLY A 105 3.769 0.237 -3.261 1.00 4.24 C ATOM 931 O GLY A 105 3.471 -0.918 -3.571 1.00 72.14 O ATOM 0 H GLY A 105 1.228 0.245 -4.001 1.00 50.14 H new ATOM 0 HA2 GLY A 105 3.122 2.237 -2.886 1.00 12.22 H new ATOM 0 HA3 GLY A 105 2.349 1.029 -1.878 1.00 12.22 H new ATOM 935 N GLN A 106 5.016 0.679 -3.239 1.00 43.30 N ATOM 936 CA GLN A 106 6.128 -0.165 -3.646 1.00 40.23 C ATOM 937 C GLN A 106 7.219 -0.172 -2.581 1.00 70.53 C ATOM 938 O GLN A 106 7.719 0.882 -2.182 1.00 73.40 O ATOM 939 CB GLN A 106 6.685 0.308 -4.985 1.00 54.02 C ATOM 940 CG GLN A 106 5.617 0.426 -6.059 1.00 15.22 C ATOM 941 CD GLN A 106 6.197 0.498 -7.449 1.00 35.24 C ATOM 942 OE1 GLN A 106 6.521 1.578 -7.945 1.00 51.43 O ATOM 943 NE2 GLN A 106 6.307 -0.650 -8.093 1.00 14.13 N ATOM 0 H GLN A 106 5.284 1.618 -2.944 1.00 43.30 H new ATOM 0 HA GLN A 106 5.764 -1.186 -3.762 1.00 40.23 H new ATOM 0 HB2 GLN A 106 7.167 1.276 -4.851 1.00 54.02 H new ATOM 0 HB3 GLN A 106 7.455 -0.388 -5.319 1.00 54.02 H new ATOM 0 HG2 GLN A 106 4.945 -0.430 -5.994 1.00 15.22 H new ATOM 0 HG3 GLN A 106 5.017 1.317 -5.873 1.00 15.22 H new ATOM 0 HE21 GLN A 106 6.025 -1.519 -7.639 1.00 14.13 H new ATOM 0 HE22 GLN A 106 6.674 -0.668 -9.045 1.00 14.13 H new ATOM 952 N GLY A 107 7.565 -1.363 -2.117 1.00 74.14 N ATOM 953 CA GLY A 107 8.581 -1.507 -1.094 1.00 4.14 C ATOM 954 C GLY A 107 9.360 -2.793 -1.265 1.00 23.53 C ATOM 955 O GLY A 107 9.063 -3.575 -2.161 1.00 53.34 O ATOM 0 H GLY A 107 7.156 -2.242 -2.434 1.00 74.14 H new ATOM 0 HA2 GLY A 107 9.264 -0.658 -1.135 1.00 4.14 H new ATOM 0 HA3 GLY A 107 8.113 -1.492 -0.110 1.00 4.14 H new ATOM 959 N ARG A 108 10.342 -3.029 -0.399 1.00 32.32 N ATOM 960 CA ARG A 108 11.209 -4.205 -0.525 1.00 24.50 C ATOM 961 C ARG A 108 10.563 -5.460 0.065 1.00 61.10 C ATOM 962 O ARG A 108 11.203 -6.504 0.179 1.00 11.12 O ATOM 963 CB ARG A 108 12.558 -3.948 0.151 1.00 35.44 C ATOM 964 CG ARG A 108 13.264 -2.711 -0.372 1.00 54.14 C ATOM 965 CD ARG A 108 13.487 -2.791 -1.872 1.00 12.32 C ATOM 966 NE ARG A 108 13.861 -1.495 -2.431 1.00 4.24 N ATOM 967 CZ ARG A 108 13.932 -1.234 -3.734 1.00 44.40 C ATOM 968 NH1 ARG A 108 13.754 -2.200 -4.630 1.00 14.34 N ATOM 969 NH2 ARG A 108 14.199 -0.004 -4.143 1.00 63.21 N ATOM 0 H ARG A 108 10.559 -2.427 0.395 1.00 32.32 H new ATOM 0 HA ARG A 108 11.363 -4.379 -1.590 1.00 24.50 H new ATOM 0 HB2 ARG A 108 12.405 -3.844 1.225 1.00 35.44 H new ATOM 0 HB3 ARG A 108 13.202 -4.815 0.004 1.00 35.44 H new ATOM 0 HG2 ARG A 108 12.672 -1.826 -0.138 1.00 54.14 H new ATOM 0 HG3 ARG A 108 14.223 -2.596 0.134 1.00 54.14 H new ATOM 0 HD2 ARG A 108 14.270 -3.519 -2.085 1.00 12.32 H new ATOM 0 HD3 ARG A 108 12.578 -3.148 -2.357 1.00 12.32 H new ATOM 0 HE ARG A 108 14.082 -0.741 -1.781 1.00 4.24 H new ATOM 0 HH11 ARG A 108 13.561 -3.153 -4.321 1.00 14.34 H new ATOM 0 HH12 ARG A 108 13.811 -1.988 -5.626 1.00 14.34 H new ATOM 0 HH21 ARG A 108 14.349 0.739 -3.461 1.00 63.21 H new ATOM 0 HH22 ARG A 108 14.254 0.201 -5.141 1.00 63.21 H new ATOM 983 N SER A 109 9.295 -5.346 0.434 1.00 52.13 N ATOM 984 CA SER A 109 8.532 -6.458 0.991 1.00 60.21 C ATOM 985 C SER A 109 7.049 -6.113 0.959 1.00 41.21 C ATOM 986 O SER A 109 6.693 -4.944 0.792 1.00 51.40 O ATOM 987 CB SER A 109 8.963 -6.762 2.433 1.00 13.55 C ATOM 988 OG SER A 109 10.274 -7.303 2.490 1.00 23.03 O ATOM 0 H SER A 109 8.764 -4.479 0.356 1.00 52.13 H new ATOM 0 HA SER A 109 8.723 -7.346 0.389 1.00 60.21 H new ATOM 0 HB2 SER A 109 8.921 -5.848 3.025 1.00 13.55 H new ATOM 0 HB3 SER A 109 8.260 -7.464 2.882 1.00 13.55 H new ATOM 0 HG SER A 109 10.617 -7.427 1.580 1.00 23.03 H new ATOM 994 N LYS A 110 6.192 -7.121 1.118 1.00 24.13 N ATOM 995 CA LYS A 110 4.749 -6.893 1.160 1.00 51.45 C ATOM 996 C LYS A 110 4.400 -5.923 2.280 1.00 71.24 C ATOM 997 O LYS A 110 3.480 -5.119 2.149 1.00 41.24 O ATOM 998 CB LYS A 110 3.981 -8.203 1.364 1.00 24.13 C ATOM 999 CG LYS A 110 3.859 -9.051 0.110 1.00 1.53 C ATOM 1000 CD LYS A 110 2.909 -10.216 0.329 1.00 2.14 C ATOM 1001 CE LYS A 110 2.610 -10.945 -0.970 1.00 44.31 C ATOM 1002 NZ LYS A 110 1.533 -11.956 -0.808 1.00 65.30 N ATOM 0 H LYS A 110 6.470 -8.097 1.219 1.00 24.13 H new ATOM 0 HA LYS A 110 4.456 -6.466 0.201 1.00 51.45 H new ATOM 0 HB2 LYS A 110 4.479 -8.787 2.138 1.00 24.13 H new ATOM 0 HB3 LYS A 110 2.981 -7.972 1.733 1.00 24.13 H new ATOM 0 HG2 LYS A 110 3.501 -8.436 -0.716 1.00 1.53 H new ATOM 0 HG3 LYS A 110 4.841 -9.427 -0.176 1.00 1.53 H new ATOM 0 HD2 LYS A 110 3.345 -10.912 1.046 1.00 2.14 H new ATOM 0 HD3 LYS A 110 1.979 -9.851 0.765 1.00 2.14 H new ATOM 0 HE2 LYS A 110 2.317 -10.222 -1.732 1.00 44.31 H new ATOM 0 HE3 LYS A 110 3.516 -11.435 -1.327 1.00 44.31 H new ATOM 0 HZ1 LYS A 110 1.361 -12.429 -1.718 1.00 65.30 H new ATOM 0 HZ2 LYS A 110 1.822 -12.661 -0.100 1.00 65.30 H new ATOM 0 HZ3 LYS A 110 0.661 -11.486 -0.492 1.00 65.30 H new ATOM 1016 N LYS A 111 5.152 -6.005 3.375 1.00 1.11 N ATOM 1017 CA LYS A 111 4.987 -5.098 4.499 1.00 44.10 C ATOM 1018 C LYS A 111 5.126 -3.651 4.044 1.00 22.11 C ATOM 1019 O LYS A 111 4.200 -2.852 4.169 1.00 2.42 O ATOM 1020 CB LYS A 111 6.046 -5.396 5.567 1.00 52.02 C ATOM 1021 CG LYS A 111 6.159 -4.316 6.631 1.00 1.32 C ATOM 1022 CD LYS A 111 7.484 -4.396 7.370 1.00 20.02 C ATOM 1023 CE LYS A 111 7.717 -3.145 8.200 1.00 61.43 C ATOM 1024 NZ LYS A 111 9.028 -3.166 8.901 1.00 5.54 N ATOM 0 H LYS A 111 5.888 -6.699 3.504 1.00 1.11 H new ATOM 0 HA LYS A 111 3.991 -5.244 4.917 1.00 44.10 H new ATOM 0 HB2 LYS A 111 5.808 -6.345 6.048 1.00 52.02 H new ATOM 0 HB3 LYS A 111 7.014 -5.519 5.082 1.00 52.02 H new ATOM 0 HG2 LYS A 111 6.059 -3.335 6.167 1.00 1.32 H new ATOM 0 HG3 LYS A 111 5.339 -4.417 7.342 1.00 1.32 H new ATOM 0 HD2 LYS A 111 7.492 -5.273 8.017 1.00 20.02 H new ATOM 0 HD3 LYS A 111 8.297 -4.520 6.655 1.00 20.02 H new ATOM 0 HE2 LYS A 111 7.668 -2.269 7.553 1.00 61.43 H new ATOM 0 HE3 LYS A 111 6.917 -3.045 8.934 1.00 61.43 H new ATOM 0 HZ1 LYS A 111 8.874 -3.090 9.927 1.00 5.54 H new ATOM 0 HZ2 LYS A 111 9.521 -4.057 8.689 1.00 5.54 H new ATOM 0 HZ3 LYS A 111 9.607 -2.365 8.578 1.00 5.54 H new ATOM 1038 N VAL A 112 6.293 -3.338 3.496 1.00 51.24 N ATOM 1039 CA VAL A 112 6.615 -1.979 3.096 1.00 41.12 C ATOM 1040 C VAL A 112 5.699 -1.512 1.972 1.00 71.23 C ATOM 1041 O VAL A 112 5.181 -0.404 2.013 1.00 45.22 O ATOM 1042 CB VAL A 112 8.081 -1.863 2.633 1.00 34.24 C ATOM 1043 CG1 VAL A 112 8.450 -0.408 2.386 1.00 3.44 C ATOM 1044 CG2 VAL A 112 9.025 -2.498 3.646 1.00 33.24 C ATOM 0 H VAL A 112 7.036 -4.014 3.318 1.00 51.24 H new ATOM 0 HA VAL A 112 6.468 -1.345 3.970 1.00 41.12 H new ATOM 0 HB VAL A 112 8.185 -2.406 1.694 1.00 34.24 H new ATOM 0 HG11 VAL A 112 9.488 -0.346 2.060 1.00 3.44 H new ATOM 0 HG12 VAL A 112 7.802 0.006 1.613 1.00 3.44 H new ATOM 0 HG13 VAL A 112 8.325 0.161 3.307 1.00 3.44 H new ATOM 0 HG21 VAL A 112 10.053 -2.403 3.295 1.00 33.24 H new ATOM 0 HG22 VAL A 112 8.921 -1.993 4.606 1.00 33.24 H new ATOM 0 HG23 VAL A 112 8.778 -3.553 3.762 1.00 33.24 H new ATOM 1054 N ALA A 113 5.489 -2.376 0.984 1.00 62.41 N ATOM 1055 CA ALA A 113 4.653 -2.040 -0.163 1.00 3.20 C ATOM 1056 C ALA A 113 3.238 -1.688 0.277 1.00 55.32 C ATOM 1057 O ALA A 113 2.636 -0.743 -0.231 1.00 41.33 O ATOM 1058 CB ALA A 113 4.637 -3.192 -1.149 1.00 35.34 C ATOM 0 H ALA A 113 5.887 -3.315 0.955 1.00 62.41 H new ATOM 0 HA ALA A 113 5.076 -1.164 -0.654 1.00 3.20 H new ATOM 0 HB1 ALA A 113 4.010 -2.932 -2.002 1.00 35.34 H new ATOM 0 HB2 ALA A 113 5.652 -3.392 -1.492 1.00 35.34 H new ATOM 0 HB3 ALA A 113 4.237 -4.082 -0.663 1.00 35.34 H new ATOM 1064 N ARG A 114 2.719 -2.448 1.232 1.00 4.31 N ATOM 1065 CA ARG A 114 1.398 -2.193 1.787 1.00 51.01 C ATOM 1066 C ARG A 114 1.384 -0.842 2.509 1.00 61.33 C ATOM 1067 O ARG A 114 0.449 -0.052 2.366 1.00 23.00 O ATOM 1068 CB ARG A 114 1.023 -3.317 2.758 1.00 73.22 C ATOM 1069 CG ARG A 114 -0.405 -3.249 3.255 1.00 11.42 C ATOM 1070 CD ARG A 114 -0.598 -4.051 4.530 1.00 65.03 C ATOM 1071 NE ARG A 114 -0.473 -5.491 4.326 1.00 51.24 N ATOM 1072 CZ ARG A 114 -0.934 -6.401 5.187 1.00 62.14 C ATOM 1073 NH1 ARG A 114 -1.571 -6.014 6.293 1.00 54.05 N ATOM 1074 NH2 ARG A 114 -0.768 -7.691 4.938 1.00 3.21 N ATOM 0 H ARG A 114 3.197 -3.251 1.640 1.00 4.31 H new ATOM 0 HA ARG A 114 0.668 -2.163 0.978 1.00 51.01 H new ATOM 0 HB2 ARG A 114 1.180 -4.277 2.265 1.00 73.22 H new ATOM 0 HB3 ARG A 114 1.697 -3.284 3.614 1.00 73.22 H new ATOM 0 HG2 ARG A 114 -0.678 -2.209 3.435 1.00 11.42 H new ATOM 0 HG3 ARG A 114 -1.077 -3.626 2.484 1.00 11.42 H new ATOM 0 HD2 ARG A 114 0.136 -3.730 5.269 1.00 65.03 H new ATOM 0 HD3 ARG A 114 -1.583 -3.833 4.944 1.00 65.03 H new ATOM 0 HE ARG A 114 -0.008 -5.820 3.480 1.00 51.24 H new ATOM 0 HH11 ARG A 114 -1.707 -5.021 6.482 1.00 54.05 H new ATOM 0 HH12 ARG A 114 -1.922 -6.711 6.949 1.00 54.05 H new ATOM 0 HH21 ARG A 114 -0.288 -7.989 4.089 1.00 3.21 H new ATOM 0 HH22 ARG A 114 -1.120 -8.387 5.596 1.00 3.21 H new ATOM 1088 N ILE A 115 2.438 -0.593 3.274 1.00 44.44 N ATOM 1089 CA ILE A 115 2.601 0.654 4.018 1.00 45.45 C ATOM 1090 C ILE A 115 2.694 1.859 3.078 1.00 45.30 C ATOM 1091 O ILE A 115 2.002 2.860 3.273 1.00 40.52 O ATOM 1092 CB ILE A 115 3.854 0.578 4.915 1.00 43.22 C ATOM 1093 CG1 ILE A 115 3.585 -0.383 6.071 1.00 72.14 C ATOM 1094 CG2 ILE A 115 4.253 1.955 5.434 1.00 70.32 C ATOM 1095 CD1 ILE A 115 4.820 -0.752 6.852 1.00 1.44 C ATOM 0 H ILE A 115 3.208 -1.250 3.398 1.00 44.44 H new ATOM 0 HA ILE A 115 1.720 0.788 4.645 1.00 45.45 H new ATOM 0 HB ILE A 115 4.689 0.206 4.322 1.00 43.22 H new ATOM 0 HG12 ILE A 115 2.860 0.070 6.747 1.00 72.14 H new ATOM 0 HG13 ILE A 115 3.129 -1.292 5.678 1.00 72.14 H new ATOM 0 HG21 ILE A 115 5.139 1.864 6.062 1.00 70.32 H new ATOM 0 HG22 ILE A 115 4.471 2.612 4.592 1.00 70.32 H new ATOM 0 HG23 ILE A 115 3.435 2.374 6.019 1.00 70.32 H new ATOM 0 HD11 ILE A 115 4.551 -1.437 7.656 1.00 1.44 H new ATOM 0 HD12 ILE A 115 5.539 -1.235 6.190 1.00 1.44 H new ATOM 0 HD13 ILE A 115 5.265 0.148 7.276 1.00 1.44 H new ATOM 1107 N GLU A 116 3.539 1.757 2.060 1.00 61.34 N ATOM 1108 CA GLU A 116 3.714 2.829 1.088 1.00 74.43 C ATOM 1109 C GLU A 116 2.391 3.181 0.413 1.00 74.42 C ATOM 1110 O GLU A 116 2.077 4.356 0.217 1.00 14.43 O ATOM 1111 CB GLU A 116 4.741 2.405 0.045 1.00 55.34 C ATOM 1112 CG GLU A 116 6.106 2.123 0.641 1.00 23.21 C ATOM 1113 CD GLU A 116 6.871 3.384 0.971 1.00 41.25 C ATOM 1114 OE1 GLU A 116 6.703 3.920 2.086 1.00 13.30 O ATOM 1115 OE2 GLU A 116 7.646 3.854 0.113 1.00 54.23 O ATOM 0 H GLU A 116 4.118 0.936 1.885 1.00 61.34 H new ATOM 0 HA GLU A 116 4.069 3.718 1.610 1.00 74.43 H new ATOM 0 HB2 GLU A 116 4.383 1.513 -0.468 1.00 55.34 H new ATOM 0 HB3 GLU A 116 4.833 3.189 -0.706 1.00 55.34 H new ATOM 0 HG2 GLU A 116 5.987 1.528 1.547 1.00 23.21 H new ATOM 0 HG3 GLU A 116 6.687 1.524 -0.060 1.00 23.21 H new ATOM 1122 N ALA A 117 1.613 2.158 0.080 1.00 31.02 N ATOM 1123 CA ALA A 117 0.309 2.356 -0.538 1.00 55.42 C ATOM 1124 C ALA A 117 -0.615 3.123 0.399 1.00 61.45 C ATOM 1125 O ALA A 117 -1.290 4.073 -0.007 1.00 12.13 O ATOM 1126 CB ALA A 117 -0.307 1.015 -0.913 1.00 64.14 C ATOM 0 H ALA A 117 1.864 1.181 0.228 1.00 31.02 H new ATOM 0 HA ALA A 117 0.442 2.944 -1.446 1.00 55.42 H new ATOM 0 HB1 ALA A 117 -1.281 1.178 -1.374 1.00 64.14 H new ATOM 0 HB2 ALA A 117 0.346 0.499 -1.617 1.00 64.14 H new ATOM 0 HB3 ALA A 117 -0.427 0.406 -0.017 1.00 64.14 H new ATOM 1132 N ALA A 118 -0.621 2.711 1.660 1.00 33.50 N ATOM 1133 CA ALA A 118 -1.449 3.346 2.674 1.00 64.04 C ATOM 1134 C ALA A 118 -0.984 4.770 2.956 1.00 71.11 C ATOM 1135 O ALA A 118 -1.801 5.660 3.186 1.00 63.15 O ATOM 1136 CB ALA A 118 -1.437 2.521 3.951 1.00 12.42 C ATOM 0 H ALA A 118 -0.057 1.934 2.006 1.00 33.50 H new ATOM 0 HA ALA A 118 -2.469 3.398 2.294 1.00 64.04 H new ATOM 0 HB1 ALA A 118 -2.060 3.005 4.703 1.00 12.42 H new ATOM 0 HB2 ALA A 118 -1.827 1.524 3.744 1.00 12.42 H new ATOM 0 HB3 ALA A 118 -0.416 2.441 4.323 1.00 12.42 H new ATOM 1142 N ALA A 119 0.328 4.984 2.925 1.00 14.44 N ATOM 1143 CA ALA A 119 0.898 6.304 3.171 1.00 33.32 C ATOM 1144 C ALA A 119 0.409 7.302 2.128 1.00 51.42 C ATOM 1145 O ALA A 119 0.076 8.445 2.448 1.00 30.13 O ATOM 1146 CB ALA A 119 2.419 6.235 3.171 1.00 34.13 C ATOM 0 H ALA A 119 1.018 4.258 2.731 1.00 14.44 H new ATOM 0 HA ALA A 119 0.567 6.644 4.152 1.00 33.32 H new ATOM 0 HB1 ALA A 119 2.828 7.228 3.356 1.00 34.13 H new ATOM 0 HB2 ALA A 119 2.752 5.554 3.954 1.00 34.13 H new ATOM 0 HB3 ALA A 119 2.767 5.874 2.203 1.00 34.13 H new ATOM 1152 N THR A 120 0.360 6.853 0.881 1.00 72.03 N ATOM 1153 CA THR A 120 -0.139 7.674 -0.210 1.00 22.15 C ATOM 1154 C THR A 120 -1.620 7.989 -0.011 1.00 13.21 C ATOM 1155 O THR A 120 -2.065 9.114 -0.246 1.00 43.45 O ATOM 1156 CB THR A 120 0.068 6.961 -1.560 1.00 55.10 C ATOM 1157 OG1 THR A 120 1.457 6.657 -1.731 1.00 4.23 O ATOM 1158 CG2 THR A 120 -0.414 7.814 -2.724 1.00 12.24 C ATOM 0 H THR A 120 0.662 5.920 0.601 1.00 72.03 H new ATOM 0 HA THR A 120 0.421 8.609 -0.215 1.00 22.15 H new ATOM 0 HB THR A 120 -0.519 6.043 -1.551 1.00 55.10 H new ATOM 0 HG1 THR A 120 1.705 5.916 -1.140 1.00 4.23 H new ATOM 0 HG21 THR A 120 -0.252 7.278 -3.659 1.00 12.24 H new ATOM 0 HG22 THR A 120 -1.477 8.024 -2.606 1.00 12.24 H new ATOM 0 HG23 THR A 120 0.141 8.752 -2.742 1.00 12.24 H new ATOM 1166 N ALA A 121 -2.368 6.990 0.445 1.00 55.15 N ATOM 1167 CA ALA A 121 -3.789 7.157 0.712 1.00 73.14 C ATOM 1168 C ALA A 121 -4.016 8.212 1.787 1.00 61.34 C ATOM 1169 O ALA A 121 -4.863 9.087 1.629 1.00 32.14 O ATOM 1170 CB ALA A 121 -4.406 5.836 1.135 1.00 22.23 C ATOM 0 H ALA A 121 -2.011 6.054 0.637 1.00 55.15 H new ATOM 0 HA ALA A 121 -4.271 7.492 -0.206 1.00 73.14 H new ATOM 0 HB1 ALA A 121 -5.469 5.977 1.331 1.00 22.23 H new ATOM 0 HB2 ALA A 121 -4.278 5.103 0.338 1.00 22.23 H new ATOM 0 HB3 ALA A 121 -3.915 5.478 2.040 1.00 22.23 H new ATOM 1176 N LEU A 122 -3.236 8.137 2.866 1.00 62.30 N ATOM 1177 CA LEU A 122 -3.368 9.068 3.987 1.00 12.44 C ATOM 1178 C LEU A 122 -3.298 10.514 3.513 1.00 50.14 C ATOM 1179 O LEU A 122 -4.170 11.324 3.833 1.00 62.51 O ATOM 1180 CB LEU A 122 -2.268 8.832 5.030 1.00 62.34 C ATOM 1181 CG LEU A 122 -2.203 7.426 5.636 1.00 74.42 C ATOM 1182 CD1 LEU A 122 -1.147 7.374 6.726 1.00 13.23 C ATOM 1183 CD2 LEU A 122 -3.556 7.005 6.184 1.00 3.14 C ATOM 0 H LEU A 122 -2.503 7.438 2.987 1.00 62.30 H new ATOM 0 HA LEU A 122 -4.342 8.886 4.441 1.00 12.44 H new ATOM 0 HB2 LEU A 122 -1.305 9.051 4.569 1.00 62.34 H new ATOM 0 HB3 LEU A 122 -2.404 9.549 5.840 1.00 62.34 H new ATOM 0 HG LEU A 122 -1.929 6.726 4.847 1.00 74.42 H new ATOM 0 HD11 LEU A 122 -1.110 6.370 7.149 1.00 13.23 H new ATOM 0 HD12 LEU A 122 -0.175 7.625 6.303 1.00 13.23 H new ATOM 0 HD13 LEU A 122 -1.397 8.089 7.510 1.00 13.23 H new ATOM 0 HD21 LEU A 122 -3.481 6.004 6.608 1.00 3.14 H new ATOM 0 HD22 LEU A 122 -3.868 7.705 6.959 1.00 3.14 H new ATOM 0 HD23 LEU A 122 -4.290 7.004 5.379 1.00 3.14 H new ATOM 1195 N ARG A 123 -2.274 10.828 2.726 1.00 1.35 N ATOM 1196 CA ARG A 123 -2.047 12.202 2.293 1.00 64.45 C ATOM 1197 C ARG A 123 -3.041 12.607 1.210 1.00 4.13 C ATOM 1198 O ARG A 123 -3.165 13.784 0.872 1.00 61.02 O ATOM 1199 CB ARG A 123 -0.607 12.381 1.794 1.00 72.05 C ATOM 1200 CG ARG A 123 -0.355 11.871 0.381 1.00 44.21 C ATOM 1201 CD ARG A 123 1.086 12.127 -0.041 1.00 74.23 C ATOM 1202 NE ARG A 123 1.300 11.894 -1.471 1.00 31.22 N ATOM 1203 CZ ARG A 123 2.072 12.670 -2.240 1.00 74.33 C ATOM 1204 NH1 ARG A 123 2.704 13.714 -1.716 1.00 53.13 N ATOM 1205 NH2 ARG A 123 2.205 12.407 -3.536 1.00 15.21 N ATOM 0 H ARG A 123 -1.592 10.154 2.377 1.00 1.35 H new ATOM 0 HA ARG A 123 -2.199 12.854 3.153 1.00 64.45 H new ATOM 0 HB2 ARG A 123 -0.352 13.440 1.834 1.00 72.05 H new ATOM 0 HB3 ARG A 123 0.067 11.865 2.478 1.00 72.05 H new ATOM 0 HG2 ARG A 123 -0.568 10.803 0.332 1.00 44.21 H new ATOM 0 HG3 ARG A 123 -1.035 12.364 -0.314 1.00 44.21 H new ATOM 0 HD2 ARG A 123 1.355 13.155 0.201 1.00 74.23 H new ATOM 0 HD3 ARG A 123 1.750 11.480 0.533 1.00 74.23 H new ATOM 0 HE ARG A 123 0.835 11.096 -1.904 1.00 31.22 H new ATOM 0 HH11 ARG A 123 2.602 13.927 -0.724 1.00 53.13 H new ATOM 0 HH12 ARG A 123 3.292 14.303 -2.306 1.00 53.13 H new ATOM 0 HH21 ARG A 123 1.718 11.611 -3.948 1.00 15.21 H new ATOM 0 HH22 ARG A 123 2.795 13.001 -4.119 1.00 15.21 H new ATOM 1219 N SER A 124 -3.748 11.626 0.671 1.00 71.30 N ATOM 1220 CA SER A 124 -4.761 11.885 -0.333 1.00 52.13 C ATOM 1221 C SER A 124 -6.039 12.370 0.338 1.00 34.05 C ATOM 1222 O SER A 124 -6.832 13.101 -0.257 1.00 30.43 O ATOM 1223 CB SER A 124 -5.032 10.623 -1.155 1.00 3.11 C ATOM 1224 OG SER A 124 -5.747 10.919 -2.343 1.00 32.00 O ATOM 0 H SER A 124 -3.636 10.642 0.915 1.00 71.30 H new ATOM 0 HA SER A 124 -4.401 12.661 -1.009 1.00 52.13 H new ATOM 0 HB2 SER A 124 -4.087 10.143 -1.408 1.00 3.11 H new ATOM 0 HB3 SER A 124 -5.600 9.912 -0.555 1.00 3.11 H new ATOM 0 HG SER A 124 -6.517 10.318 -2.420 1.00 32.00 H new ATOM 1230 N PHE A 125 -6.229 11.970 1.589 1.00 71.52 N ATOM 1231 CA PHE A 125 -7.375 12.424 2.359 1.00 52.34 C ATOM 1232 C PHE A 125 -7.077 13.779 2.980 1.00 13.33 C ATOM 1233 O PHE A 125 -7.829 14.739 2.797 1.00 51.14 O ATOM 1234 CB PHE A 125 -7.740 11.424 3.458 1.00 3.43 C ATOM 1235 CG PHE A 125 -8.149 10.071 2.951 1.00 22.21 C ATOM 1236 CD1 PHE A 125 -9.307 9.913 2.204 1.00 34.22 C ATOM 1237 CD2 PHE A 125 -7.387 8.957 3.243 1.00 54.03 C ATOM 1238 CE1 PHE A 125 -9.691 8.662 1.756 1.00 4.23 C ATOM 1239 CE2 PHE A 125 -7.763 7.708 2.794 1.00 32.21 C ATOM 1240 CZ PHE A 125 -8.916 7.559 2.053 1.00 22.04 C ATOM 0 H PHE A 125 -5.606 11.335 2.088 1.00 71.52 H new ATOM 0 HA PHE A 125 -8.223 12.509 1.680 1.00 52.34 H new ATOM 0 HB2 PHE A 125 -6.885 11.306 4.124 1.00 3.43 H new ATOM 0 HB3 PHE A 125 -8.554 11.837 4.053 1.00 3.43 H new ATOM 0 HD1 PHE A 125 -9.914 10.775 1.970 1.00 34.22 H new ATOM 0 HD2 PHE A 125 -6.487 9.065 3.829 1.00 54.03 H new ATOM 0 HE1 PHE A 125 -10.595 8.549 1.175 1.00 4.23 H new ATOM 0 HE2 PHE A 125 -7.154 6.846 3.023 1.00 32.21 H new ATOM 0 HZ PHE A 125 -9.213 6.580 1.705 1.00 22.04 H new ATOM 1250 N ILE A 126 -5.975 13.854 3.715 1.00 51.44 N ATOM 1251 CA ILE A 126 -5.560 15.099 4.341 1.00 72.12 C ATOM 1252 C ILE A 126 -4.097 15.385 4.037 1.00 5.42 C ATOM 1253 O ILE A 126 -3.245 14.497 4.104 1.00 12.44 O ATOM 1254 CB ILE A 126 -5.778 15.122 5.882 1.00 23.31 C ATOM 1255 CG1 ILE A 126 -4.892 14.097 6.619 1.00 32.22 C ATOM 1256 CG2 ILE A 126 -7.248 14.896 6.211 1.00 52.44 C ATOM 1257 CD1 ILE A 126 -5.363 12.662 6.516 1.00 52.52 C ATOM 0 H ILE A 126 -5.353 13.065 3.891 1.00 51.44 H new ATOM 0 HA ILE A 126 -6.196 15.874 3.914 1.00 72.12 H new ATOM 0 HB ILE A 126 -5.479 16.109 6.235 1.00 23.31 H new ATOM 0 HG12 ILE A 126 -3.879 14.162 6.222 1.00 32.22 H new ATOM 0 HG13 ILE A 126 -4.840 14.373 7.672 1.00 32.22 H new ATOM 0 HG21 ILE A 126 -7.386 14.915 7.292 1.00 52.44 H new ATOM 0 HG22 ILE A 126 -7.848 15.683 5.755 1.00 52.44 H new ATOM 0 HG23 ILE A 126 -7.563 13.928 5.822 1.00 52.44 H new ATOM 0 HD11 ILE A 126 -4.679 12.014 7.064 1.00 52.52 H new ATOM 0 HD12 ILE A 126 -6.363 12.576 6.941 1.00 52.52 H new ATOM 0 HD13 ILE A 126 -5.387 12.361 5.469 1.00 52.52 H new ATOM 1269 N GLN A 127 -3.816 16.622 3.681 1.00 63.43 N ATOM 1270 CA GLN A 127 -2.461 17.038 3.375 1.00 4.11 C ATOM 1271 C GLN A 127 -2.094 18.274 4.183 1.00 72.32 C ATOM 1272 O GLN A 127 -2.800 19.284 4.153 1.00 54.14 O ATOM 1273 CB GLN A 127 -2.282 17.297 1.867 1.00 62.21 C ATOM 1274 CG GLN A 127 -3.037 18.506 1.310 1.00 13.42 C ATOM 1275 CD GLN A 127 -4.549 18.359 1.359 1.00 33.11 C ATOM 1276 OE1 GLN A 127 -5.161 18.856 2.426 1.00 72.14 O flip ATOM 1277 NE2 GLN A 127 -5.165 17.831 0.433 1.00 63.32 N flip ATOM 0 H GLN A 127 -4.513 17.362 3.596 1.00 63.43 H new ATOM 0 HA GLN A 127 -1.787 16.228 3.652 1.00 4.11 H new ATOM 0 HB2 GLN A 127 -1.219 17.429 1.663 1.00 62.21 H new ATOM 0 HB3 GLN A 127 -2.603 16.409 1.323 1.00 62.21 H new ATOM 0 HG2 GLN A 127 -2.749 19.394 1.873 1.00 13.42 H new ATOM 0 HG3 GLN A 127 -2.730 18.670 0.277 1.00 13.42 H new ATOM 0 HE21 GLN A 127 -4.658 17.460 -0.371 1.00 63.32 H new ATOM 0 HE22 GLN A 127 -6.182 17.764 0.470 1.00 63.32 H new ATOM 1286 N PHE A 128 -1.004 18.180 4.926 1.00 10.22 N ATOM 1287 CA PHE A 128 -0.528 19.293 5.726 1.00 50.53 C ATOM 1288 C PHE A 128 0.884 19.674 5.304 1.00 40.41 C ATOM 1289 O PHE A 128 1.867 19.173 5.854 1.00 45.15 O ATOM 1290 CB PHE A 128 -0.571 18.948 7.217 1.00 22.41 C ATOM 1291 CG PHE A 128 -1.963 18.802 7.768 1.00 34.33 C ATOM 1292 CD1 PHE A 128 -2.668 17.618 7.608 1.00 3.23 C ATOM 1293 CD2 PHE A 128 -2.561 19.848 8.450 1.00 41.42 C ATOM 1294 CE1 PHE A 128 -3.943 17.482 8.120 1.00 73.40 C ATOM 1295 CE2 PHE A 128 -3.835 19.718 8.964 1.00 31.23 C ATOM 1296 CZ PHE A 128 -4.528 18.535 8.798 1.00 4.32 C ATOM 0 H PHE A 128 -0.430 17.339 4.991 1.00 10.22 H new ATOM 0 HA PHE A 128 -1.185 20.146 5.559 1.00 50.53 H new ATOM 0 HB2 PHE A 128 -0.026 18.018 7.381 1.00 22.41 H new ATOM 0 HB3 PHE A 128 -0.049 19.725 7.775 1.00 22.41 H new ATOM 0 HD1 PHE A 128 -2.215 16.794 7.077 1.00 3.23 H new ATOM 0 HD2 PHE A 128 -2.024 20.776 8.581 1.00 41.42 H new ATOM 0 HE1 PHE A 128 -4.482 16.555 7.991 1.00 73.40 H new ATOM 0 HE2 PHE A 128 -4.290 20.541 9.496 1.00 31.23 H new ATOM 0 HZ PHE A 128 -5.526 18.433 9.198 1.00 4.32 H new ATOM 1306 N LYS A 129 0.959 20.528 4.289 1.00 21.12 N ATOM 1307 CA LYS A 129 2.223 21.011 3.737 1.00 34.24 C ATOM 1308 C LYS A 129 3.097 19.855 3.255 1.00 74.12 C ATOM 1309 O LYS A 129 4.091 19.495 3.892 1.00 71.00 O ATOM 1310 CB LYS A 129 2.978 21.875 4.753 1.00 21.33 C ATOM 1311 CG LYS A 129 2.188 23.084 5.239 1.00 52.02 C ATOM 1312 CD LYS A 129 1.693 23.942 4.083 1.00 75.41 C ATOM 1313 CE LYS A 129 0.988 25.196 4.580 1.00 51.12 C ATOM 1314 NZ LYS A 129 -0.172 24.880 5.459 1.00 23.12 N ATOM 0 H LYS A 129 0.137 20.909 3.821 1.00 21.12 H new ATOM 0 HA LYS A 129 1.985 21.634 2.875 1.00 34.24 H new ATOM 0 HB2 LYS A 129 3.247 21.259 5.611 1.00 21.33 H new ATOM 0 HB3 LYS A 129 3.910 22.218 4.303 1.00 21.33 H new ATOM 0 HG2 LYS A 129 1.337 22.747 5.831 1.00 52.02 H new ATOM 0 HG3 LYS A 129 2.815 23.687 5.896 1.00 52.02 H new ATOM 0 HD2 LYS A 129 2.535 24.223 3.451 1.00 75.41 H new ATOM 0 HD3 LYS A 129 1.010 23.361 3.464 1.00 75.41 H new ATOM 0 HE2 LYS A 129 1.698 25.817 5.127 1.00 51.12 H new ATOM 0 HE3 LYS A 129 0.646 25.781 3.726 1.00 51.12 H new ATOM 0 HZ1 LYS A 129 -0.720 25.746 5.635 1.00 23.12 H new ATOM 0 HZ2 LYS A 129 -0.779 24.175 4.993 1.00 23.12 H new ATOM 0 HZ3 LYS A 129 0.172 24.498 6.363 1.00 23.12 H new ATOM 1328 N ASP A 130 2.708 19.264 2.137 1.00 31.45 N ATOM 1329 CA ASP A 130 3.463 18.165 1.549 1.00 14.13 C ATOM 1330 C ASP A 130 4.531 18.709 0.610 1.00 23.21 C ATOM 1331 O ASP A 130 5.730 18.530 0.840 1.00 31.22 O ATOM 1332 CB ASP A 130 2.527 17.217 0.798 1.00 32.05 C ATOM 1333 CG ASP A 130 3.234 15.971 0.308 1.00 52.41 C ATOM 1334 OD1 ASP A 130 4.099 16.085 -0.576 1.00 22.22 O ATOM 1335 OD2 ASP A 130 2.919 14.868 0.800 1.00 23.43 O ATOM 0 H ASP A 130 1.871 19.527 1.616 1.00 31.45 H new ATOM 0 HA ASP A 130 3.950 17.607 2.349 1.00 14.13 H new ATOM 0 HB2 ASP A 130 1.704 16.930 1.453 1.00 32.05 H new ATOM 0 HB3 ASP A 130 2.090 17.741 -0.052 1.00 32.05 H new ATOM 1340 N GLY A 131 4.090 19.377 -0.445 1.00 33.04 N ATOM 1341 CA GLY A 131 5.018 19.999 -1.369 1.00 41.33 C ATOM 1342 C GLY A 131 5.308 19.133 -2.577 1.00 31.20 C ATOM 1343 O GLY A 131 5.633 19.644 -3.650 1.00 12.33 O ATOM 0 H GLY A 131 3.105 19.500 -0.679 1.00 33.04 H new ATOM 0 HA2 GLY A 131 4.609 20.953 -1.701 1.00 41.33 H new ATOM 0 HA3 GLY A 131 5.952 20.215 -0.850 1.00 41.33 H new ATOM 1347 N ALA A 132 5.181 17.825 -2.414 1.00 13.11 N ATOM 1348 CA ALA A 132 5.462 16.895 -3.492 1.00 44.11 C ATOM 1349 C ALA A 132 4.203 16.622 -4.295 1.00 52.44 C ATOM 1350 O ALA A 132 3.226 16.068 -3.786 1.00 63.55 O ATOM 1351 CB ALA A 132 6.038 15.599 -2.955 1.00 73.24 C ATOM 0 H ALA A 132 4.884 17.385 -1.543 1.00 13.11 H new ATOM 0 HA ALA A 132 6.205 17.349 -4.148 1.00 44.11 H new ATOM 0 HB1 ALA A 132 6.240 14.920 -3.783 1.00 73.24 H new ATOM 0 HB2 ALA A 132 6.966 15.807 -2.422 1.00 73.24 H new ATOM 0 HB3 ALA A 132 5.323 15.138 -2.273 1.00 73.24 H new ATOM 1357 N VAL A 133 4.248 16.997 -5.557 1.00 11.42 N ATOM 1358 CA VAL A 133 3.089 16.899 -6.429 1.00 45.31 C ATOM 1359 C VAL A 133 3.043 15.552 -7.134 1.00 72.13 C ATOM 1360 O VAL A 133 4.079 14.959 -7.441 1.00 53.34 O ATOM 1361 CB VAL A 133 3.066 18.032 -7.482 1.00 64.34 C ATOM 1362 CG1 VAL A 133 2.906 19.386 -6.807 1.00 62.02 C ATOM 1363 CG2 VAL A 133 4.323 18.008 -8.339 1.00 72.33 C ATOM 0 H VAL A 133 5.081 17.376 -6.007 1.00 11.42 H new ATOM 0 HA VAL A 133 2.210 16.999 -5.793 1.00 45.31 H new ATOM 0 HB VAL A 133 2.209 17.867 -8.135 1.00 64.34 H new ATOM 0 HG11 VAL A 133 2.892 20.170 -7.564 1.00 62.02 H new ATOM 0 HG12 VAL A 133 1.971 19.405 -6.247 1.00 62.02 H new ATOM 0 HG13 VAL A 133 3.740 19.554 -6.126 1.00 62.02 H new ATOM 0 HG21 VAL A 133 4.280 18.815 -9.070 1.00 72.33 H new ATOM 0 HG22 VAL A 133 5.199 18.140 -7.704 1.00 72.33 H new ATOM 0 HG23 VAL A 133 4.392 17.052 -8.857 1.00 72.33 H new ATOM 1373 N LEU A 134 1.835 15.068 -7.372 1.00 10.42 N ATOM 1374 CA LEU A 134 1.637 13.819 -8.088 1.00 52.52 C ATOM 1375 C LEU A 134 1.828 14.033 -9.593 1.00 54.32 C ATOM 1376 O LEU A 134 0.872 14.097 -10.368 1.00 65.12 O ATOM 1377 CB LEU A 134 0.260 13.196 -7.771 1.00 44.33 C ATOM 1378 CG LEU A 134 -0.995 13.946 -8.257 1.00 63.24 C ATOM 1379 CD1 LEU A 134 -2.215 13.050 -8.131 1.00 12.10 C ATOM 1380 CD2 LEU A 134 -1.222 15.237 -7.480 1.00 31.13 C ATOM 0 H LEU A 134 0.972 15.525 -7.078 1.00 10.42 H new ATOM 0 HA LEU A 134 2.390 13.108 -7.749 1.00 52.52 H new ATOM 0 HB2 LEU A 134 0.239 12.194 -8.200 1.00 44.33 H new ATOM 0 HB3 LEU A 134 0.185 13.082 -6.690 1.00 44.33 H new ATOM 0 HG LEU A 134 -0.837 14.210 -9.303 1.00 63.24 H new ATOM 0 HD11 LEU A 134 -3.098 13.587 -8.476 1.00 12.10 H new ATOM 0 HD12 LEU A 134 -2.074 12.156 -8.738 1.00 12.10 H new ATOM 0 HD13 LEU A 134 -2.350 12.763 -7.088 1.00 12.10 H new ATOM 0 HD21 LEU A 134 -2.117 15.734 -7.854 1.00 31.13 H new ATOM 0 HD22 LEU A 134 -1.350 15.007 -6.422 1.00 31.13 H new ATOM 0 HD23 LEU A 134 -0.362 15.894 -7.607 1.00 31.13 H new ATOM 1392 N SER A 135 3.079 14.189 -9.986 1.00 64.12 N ATOM 1393 CA SER A 135 3.435 14.448 -11.370 1.00 22.31 C ATOM 1394 C SER A 135 4.850 13.940 -11.631 1.00 34.51 C ATOM 1395 O SER A 135 5.559 13.606 -10.681 1.00 4.12 O ATOM 1396 CB SER A 135 3.349 15.950 -11.654 1.00 65.54 C ATOM 1397 OG SER A 135 2.039 16.441 -11.415 1.00 25.35 O ATOM 0 H SER A 135 3.878 14.140 -9.354 1.00 64.12 H new ATOM 0 HA SER A 135 2.742 13.928 -12.031 1.00 22.31 H new ATOM 0 HB2 SER A 135 4.061 16.484 -11.025 1.00 65.54 H new ATOM 0 HB3 SER A 135 3.630 16.144 -12.689 1.00 65.54 H new ATOM 0 HG SER A 135 2.011 17.403 -11.602 1.00 25.35 H new ATOM 1403 N PRO A 136 5.272 13.852 -12.908 1.00 12.40 N ATOM 1404 CA PRO A 136 6.635 13.437 -13.260 1.00 3.14 C ATOM 1405 C PRO A 136 7.693 14.313 -12.598 1.00 5.12 C ATOM 1406 O PRO A 136 7.944 15.444 -13.027 1.00 3.53 O ATOM 1407 CB PRO A 136 6.686 13.594 -14.783 1.00 52.02 C ATOM 1408 CG PRO A 136 5.267 13.518 -15.222 1.00 13.43 C ATOM 1409 CD PRO A 136 4.460 14.128 -14.110 1.00 31.24 C ATOM 0 HA PRO A 136 6.848 12.423 -12.922 1.00 3.14 H new ATOM 0 HB2 PRO A 136 7.137 14.544 -15.068 1.00 52.02 H new ATOM 0 HB3 PRO A 136 7.284 12.807 -15.242 1.00 52.02 H new ATOM 0 HG2 PRO A 136 5.117 14.060 -16.156 1.00 13.43 H new ATOM 0 HG3 PRO A 136 4.968 12.485 -15.401 1.00 13.43 H new ATOM 0 HD2 PRO A 136 4.314 15.198 -14.259 1.00 31.24 H new ATOM 0 HD3 PRO A 136 3.470 13.678 -14.038 1.00 31.24 H new ATOM 1417 N LEU A 137 8.277 13.802 -11.528 1.00 74.34 N ATOM 1418 CA LEU A 137 9.338 14.500 -10.823 1.00 15.53 C ATOM 1419 C LEU A 137 10.682 13.883 -11.175 1.00 73.25 C ATOM 1420 O LEU A 137 11.100 12.901 -10.555 1.00 14.23 O ATOM 1421 CB LEU A 137 9.110 14.445 -9.308 1.00 34.12 C ATOM 1422 CG LEU A 137 7.808 15.085 -8.823 1.00 60.35 C ATOM 1423 CD1 LEU A 137 7.647 14.894 -7.323 1.00 23.03 C ATOM 1424 CD2 LEU A 137 7.777 16.564 -9.180 1.00 43.33 C ATOM 0 H LEU A 137 8.031 12.898 -11.126 1.00 74.34 H new ATOM 0 HA LEU A 137 9.332 15.546 -11.131 1.00 15.53 H new ATOM 0 HB2 LEU A 137 9.123 13.402 -8.992 1.00 34.12 H new ATOM 0 HB3 LEU A 137 9.946 14.939 -8.812 1.00 34.12 H new ATOM 0 HG LEU A 137 6.974 14.593 -9.323 1.00 60.35 H new ATOM 0 HD11 LEU A 137 6.715 15.356 -6.995 1.00 23.03 H new ATOM 0 HD12 LEU A 137 7.625 13.829 -7.092 1.00 23.03 H new ATOM 0 HD13 LEU A 137 8.485 15.360 -6.805 1.00 23.03 H new ATOM 0 HD21 LEU A 137 6.844 17.004 -8.828 1.00 43.33 H new ATOM 0 HD22 LEU A 137 8.618 17.070 -8.707 1.00 43.33 H new ATOM 0 HD23 LEU A 137 7.847 16.679 -10.262 1.00 43.33 H new ATOM 1436 N LYS A 138 11.337 14.449 -12.192 1.00 72.31 N ATOM 1437 CA LYS A 138 12.610 13.932 -12.695 1.00 72.33 C ATOM 1438 C LYS A 138 12.404 12.547 -13.333 1.00 60.23 C ATOM 1439 O LYS A 138 11.277 12.048 -13.350 1.00 61.22 O ATOM 1440 CB LYS A 138 13.649 13.909 -11.560 1.00 64.51 C ATOM 1441 CG LYS A 138 13.983 15.297 -11.037 1.00 62.31 C ATOM 1442 CD LYS A 138 14.972 15.255 -9.887 1.00 11.25 C ATOM 1443 CE LYS A 138 15.255 16.654 -9.366 1.00 1.32 C ATOM 1444 NZ LYS A 138 16.193 16.646 -8.216 1.00 33.41 N ATOM 0 H LYS A 138 11.001 15.275 -12.687 1.00 72.31 H new ATOM 0 HA LYS A 138 12.995 14.589 -13.475 1.00 72.33 H new ATOM 0 HB2 LYS A 138 13.271 13.298 -10.740 1.00 64.51 H new ATOM 0 HB3 LYS A 138 14.561 13.432 -11.918 1.00 64.51 H new ATOM 0 HG2 LYS A 138 14.396 15.899 -11.847 1.00 62.31 H new ATOM 0 HG3 LYS A 138 13.068 15.789 -10.709 1.00 62.31 H new ATOM 0 HD2 LYS A 138 14.575 14.636 -9.082 1.00 11.25 H new ATOM 0 HD3 LYS A 138 15.901 14.790 -10.217 1.00 11.25 H new ATOM 0 HE2 LYS A 138 15.673 17.261 -10.169 1.00 1.32 H new ATOM 0 HE3 LYS A 138 14.319 17.124 -9.065 1.00 1.32 H new ATOM 0 HZ1 LYS A 138 16.356 17.621 -7.894 1.00 33.41 H new ATOM 0 HZ2 LYS A 138 15.784 16.089 -7.439 1.00 33.41 H new ATOM 0 HZ3 LYS A 138 17.097 16.222 -8.508 1.00 33.41 H new ATOM 1458 N PRO A 139 13.463 11.934 -13.919 1.00 10.30 N ATOM 1459 CA PRO A 139 13.390 10.614 -14.559 1.00 71.33 C ATOM 1460 C PRO A 139 12.499 9.617 -13.814 1.00 73.34 C ATOM 1461 O PRO A 139 12.841 9.137 -12.730 1.00 41.54 O ATOM 1462 CB PRO A 139 14.848 10.126 -14.559 1.00 2.12 C ATOM 1463 CG PRO A 139 15.663 11.242 -13.979 1.00 50.55 C ATOM 1464 CD PRO A 139 14.815 12.477 -14.049 1.00 34.11 C ATOM 0 HA PRO A 139 12.943 10.689 -15.550 1.00 71.33 H new ATOM 0 HB2 PRO A 139 14.954 9.218 -13.966 1.00 2.12 H new ATOM 0 HB3 PRO A 139 15.179 9.887 -15.570 1.00 2.12 H new ATOM 0 HG2 PRO A 139 15.942 11.022 -12.949 1.00 50.55 H new ATOM 0 HG3 PRO A 139 16.589 11.376 -14.538 1.00 50.55 H new ATOM 0 HD2 PRO A 139 15.051 13.178 -13.248 1.00 34.11 H new ATOM 0 HD3 PRO A 139 14.950 13.011 -14.990 1.00 34.11 H new ATOM 1472 N ALA A 140 11.351 9.320 -14.404 1.00 73.24 N ATOM 1473 CA ALA A 140 10.405 8.386 -13.822 1.00 24.43 C ATOM 1474 C ALA A 140 9.989 7.349 -14.856 1.00 62.12 C ATOM 1475 O ALA A 140 8.889 7.482 -15.433 1.00 38.36 O ATOM 1476 CB ALA A 140 9.190 9.130 -13.282 1.00 11.13 C ATOM 1477 OXT ALA A 140 10.780 6.418 -15.109 1.00 38.36 O ATOM 0 H ALA A 140 11.052 9.718 -15.294 1.00 73.24 H new ATOM 0 HA ALA A 140 10.885 7.870 -12.991 1.00 24.43 H new ATOM 0 HB1 ALA A 140 8.489 8.416 -12.849 1.00 11.13 H new ATOM 0 HB2 ALA A 140 9.507 9.838 -12.516 1.00 11.13 H new ATOM 0 HB3 ALA A 140 8.703 9.669 -14.094 1.00 11.13 H new TER 1483 ALA A 140