USER MOD reduce.3.24.130724 H: found=0, std=0, add=395, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 396 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 97 LYS NZ :NH3+ -144:sc= -1.17 (180deg=-3.34!) USER MOD Set 1.2: A 128 THR OG1 : rot 180:sc= 0.124 USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 CYS SG : rot 70:sc= -0.795 USER MOD Single : A 99 SER OG : rot -25:sc= 0.137 USER MOD Single : A 103 SER OG : rot 180:sc= 0 USER MOD Single : A 107 CYS SG : rot 180:sc= 0 USER MOD Single : A 109 TYR OH : rot 180:sc= 0 USER MOD Single : A 112 THR OG1 : rot 180:sc= 0 USER MOD Single : A 115 SER OG : rot 3:sc= 0.366 USER MOD Single : A 119 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 122 THR OG1 : rot 180:sc= 0 USER MOD Single : A 123 CYS SG : rot -14:sc= -1.3 USER MOD Single : A 127 TYR OH : rot 104:sc= 0.909 USER MOD Single : A 130 TYR OH : rot -115:sc= 0.364 USER MOD Single : A 132 ASN : amide:sc= -0.138 K(o=-0.14,f=-2.1!) USER MOD Single : A 136 GLN : amide:sc= -0.32 K(o=-0.32,f=-2.1!) USER MOD Single : A 137 ASN : amide:sc= -0.382 K(o=-0.38,f=-1) USER MOD Single : A 139 SER OG : rot 180:sc= 0.15 USER MOD Single : A 143 SER OG : rot 180:sc= 0.0853 USER MOD ----------------------------------------------------------------- ATOM 35 N TRP A 92 -2.932 8.884 -2.942 1.00 7.74 N ATOM 36 CA TRP A 92 -3.014 7.722 -2.065 1.00 7.12 C ATOM 37 C TRP A 92 -3.917 8.000 -0.867 1.00 7.81 C ATOM 38 O TRP A 92 -3.606 8.841 -0.023 1.00 8.60 O ATOM 39 CB TRP A 92 -1.618 7.316 -1.585 1.00 6.73 C ATOM 40 CG TRP A 92 -0.705 6.884 -2.696 1.00 6.11 C ATOM 41 CD1 TRP A 92 0.555 7.347 -2.945 1.00 6.47 C ATOM 42 CD2 TRP A 92 -0.981 5.903 -3.707 1.00 5.26 C ATOM 43 NE1 TRP A 92 1.079 6.718 -4.049 1.00 5.95 N ATOM 44 CE2 TRP A 92 0.157 5.828 -4.533 1.00 5.17 C ATOM 45 CE3 TRP A 92 -2.076 5.082 -3.994 1.00 4.81 C ATOM 46 CZ2 TRP A 92 0.228 4.965 -5.624 1.00 4.65 C ATOM 47 CZ3 TRP A 92 -2.003 4.227 -5.077 1.00 4.27 C ATOM 48 CH2 TRP A 92 -0.858 4.174 -5.881 1.00 4.18 C ATOM 0 HA TRP A 92 -3.447 6.901 -2.637 1.00 7.12 H new ATOM 0 HB2 TRP A 92 -1.165 8.156 -1.059 1.00 6.73 H new ATOM 0 HB3 TRP A 92 -1.712 6.503 -0.866 1.00 6.73 H new ATOM 0 HD1 TRP A 92 1.065 8.098 -2.360 1.00 6.47 H new ATOM 0 HE1 TRP A 92 2.004 6.887 -4.444 1.00 5.95 H new ATOM 0 HE3 TRP A 92 -2.964 5.116 -3.380 1.00 4.81 H new ATOM 0 HZ2 TRP A 92 1.110 4.922 -6.246 1.00 4.65 H new ATOM 0 HZ3 TRP A 92 -2.843 3.589 -5.307 1.00 4.27 H new ATOM 0 HH2 TRP A 92 -0.832 3.495 -6.721 1.00 4.18 H new ATOM 59 N LYS A 93 -5.035 7.285 -0.802 1.00 7.67 N ATOM 60 CA LYS A 93 -5.989 7.442 0.289 1.00 8.46 C ATOM 61 C LYS A 93 -6.521 6.085 0.736 1.00 8.08 C ATOM 62 O LYS A 93 -6.379 5.092 0.023 1.00 7.25 O ATOM 63 CB LYS A 93 -7.151 8.339 -0.148 1.00 9.25 C ATOM 64 CG LYS A 93 -7.872 9.014 1.008 1.00 10.03 C ATOM 65 CD LYS A 93 -9.276 9.444 0.613 1.00 10.80 C ATOM 66 CE LYS A 93 -10.226 8.258 0.556 1.00 11.72 C ATOM 67 NZ LYS A 93 -11.652 8.686 0.587 1.00 12.39 N ATOM 0 H LYS A 93 -5.303 6.588 -1.496 1.00 7.67 H new ATOM 0 HA LYS A 93 -5.475 7.909 1.129 1.00 8.46 H new ATOM 0 HB2 LYS A 93 -6.772 9.105 -0.825 1.00 9.25 H new ATOM 0 HB3 LYS A 93 -7.867 7.741 -0.712 1.00 9.25 H new ATOM 0 HG2 LYS A 93 -7.924 8.330 1.855 1.00 10.03 H new ATOM 0 HG3 LYS A 93 -7.302 9.884 1.336 1.00 10.03 H new ATOM 0 HD2 LYS A 93 -9.649 10.176 1.329 1.00 10.80 H new ATOM 0 HD3 LYS A 93 -9.247 9.936 -0.359 1.00 10.80 H new ATOM 0 HE2 LYS A 93 -10.038 7.686 -0.353 1.00 11.72 H new ATOM 0 HE3 LYS A 93 -10.028 7.594 1.397 1.00 11.72 H new ATOM 0 HZ1 LYS A 93 -12.267 7.848 0.546 1.00 12.39 H new ATOM 0 HZ2 LYS A 93 -11.838 9.210 1.466 1.00 12.39 H new ATOM 0 HZ3 LYS A 93 -11.848 9.299 -0.230 1.00 12.39 H new ATOM 81 N VAL A 94 -7.131 6.044 1.920 1.00 8.81 N ATOM 82 CA VAL A 94 -7.679 4.800 2.447 1.00 8.73 C ATOM 83 C VAL A 94 -8.715 4.217 1.493 1.00 8.69 C ATOM 84 O VAL A 94 -9.796 4.778 1.313 1.00 9.36 O ATOM 85 CB VAL A 94 -8.325 4.996 3.832 1.00 9.74 C ATOM 86 CG1 VAL A 94 -8.474 3.659 4.543 1.00 9.66 C ATOM 87 CG2 VAL A 94 -7.508 5.966 4.674 1.00 10.15 C ATOM 0 H VAL A 94 -7.257 6.854 2.527 1.00 8.81 H new ATOM 0 HA VAL A 94 -6.843 4.108 2.549 1.00 8.73 H new ATOM 0 HB VAL A 94 -9.318 5.423 3.691 1.00 9.74 H new ATOM 0 HG11 VAL A 94 -8.932 3.815 5.520 1.00 9.66 H new ATOM 0 HG12 VAL A 94 -9.105 2.999 3.948 1.00 9.66 H new ATOM 0 HG13 VAL A 94 -7.492 3.204 4.671 1.00 9.66 H new ATOM 0 HG21 VAL A 94 -7.981 6.090 5.648 1.00 10.15 H new ATOM 0 HG22 VAL A 94 -6.500 5.572 4.808 1.00 10.15 H new ATOM 0 HG23 VAL A 94 -7.456 6.931 4.170 1.00 10.15 H new ATOM 97 N GLY A 95 -8.367 3.095 0.877 1.00 8.04 N ATOM 98 CA GLY A 95 -9.264 2.451 -0.062 1.00 8.20 C ATOM 99 C GLY A 95 -8.922 2.794 -1.498 1.00 7.64 C ATOM 100 O GLY A 95 -9.587 3.622 -2.122 1.00 8.10 O ATOM 0 H GLY A 95 -7.476 2.618 1.012 1.00 8.04 H new ATOM 0 HA2 GLY A 95 -9.217 1.371 0.074 1.00 8.20 H new ATOM 0 HA3 GLY A 95 -10.289 2.755 0.149 1.00 8.20 H new ATOM 104 N ASP A 96 -7.879 2.157 -2.022 1.00 6.70 N ATOM 105 CA ASP A 96 -7.443 2.398 -3.392 1.00 6.20 C ATOM 106 C ASP A 96 -6.713 1.182 -3.946 1.00 5.53 C ATOM 107 O ASP A 96 -5.768 0.682 -3.335 1.00 4.92 O ATOM 108 CB ASP A 96 -6.533 3.626 -3.453 1.00 5.87 C ATOM 109 CG ASP A 96 -7.181 4.791 -4.175 1.00 6.35 C ATOM 110 OD1 ASP A 96 -7.826 4.558 -5.219 1.00 6.44 O ATOM 111 OD2 ASP A 96 -7.042 5.937 -3.697 1.00 6.81 O ATOM 0 H ASP A 96 -7.320 1.469 -1.517 1.00 6.70 H new ATOM 0 HA ASP A 96 -8.327 2.582 -4.003 1.00 6.20 H new ATOM 0 HB2 ASP A 96 -6.270 3.931 -2.440 1.00 5.87 H new ATOM 0 HB3 ASP A 96 -5.604 3.361 -3.957 1.00 5.87 H new ATOM 116 N LYS A 97 -7.156 0.708 -5.105 1.00 5.83 N ATOM 117 CA LYS A 97 -6.545 -0.454 -5.738 1.00 5.62 C ATOM 118 C LYS A 97 -5.172 -0.108 -6.309 1.00 4.80 C ATOM 119 O LYS A 97 -5.062 0.642 -7.279 1.00 4.86 O ATOM 120 CB LYS A 97 -7.451 -0.996 -6.843 1.00 6.55 C ATOM 121 CG LYS A 97 -8.533 -1.931 -6.331 1.00 7.39 C ATOM 122 CD LYS A 97 -8.507 -3.266 -7.057 1.00 7.70 C ATOM 123 CE LYS A 97 -8.939 -4.403 -6.145 1.00 8.21 C ATOM 124 NZ LYS A 97 -8.269 -5.684 -6.498 1.00 9.10 N ATOM 0 H LYS A 97 -7.936 1.111 -5.625 1.00 5.83 H new ATOM 0 HA LYS A 97 -6.415 -1.223 -4.976 1.00 5.62 H new ATOM 0 HB2 LYS A 97 -7.919 -0.160 -7.362 1.00 6.55 H new ATOM 0 HB3 LYS A 97 -6.841 -1.524 -7.576 1.00 6.55 H new ATOM 0 HG2 LYS A 97 -8.397 -2.095 -5.262 1.00 7.39 H new ATOM 0 HG3 LYS A 97 -9.509 -1.464 -6.461 1.00 7.39 H new ATOM 0 HD2 LYS A 97 -9.166 -3.223 -7.924 1.00 7.70 H new ATOM 0 HD3 LYS A 97 -7.501 -3.459 -7.430 1.00 7.70 H new ATOM 0 HE2 LYS A 97 -8.709 -4.146 -5.111 1.00 8.21 H new ATOM 0 HE3 LYS A 97 -10.020 -4.529 -6.209 1.00 8.21 H new ATOM 0 HZ1 LYS A 97 -8.931 -6.473 -6.353 1.00 9.10 H new ATOM 0 HZ2 LYS A 97 -7.974 -5.658 -7.495 1.00 9.10 H new ATOM 0 HZ3 LYS A 97 -7.433 -5.817 -5.893 1.00 9.10 H new ATOM 138 N CYS A 98 -4.131 -0.662 -5.697 1.00 4.16 N ATOM 139 CA CYS A 98 -2.762 -0.419 -6.134 1.00 3.60 C ATOM 140 C CYS A 98 -1.961 -1.720 -6.151 1.00 3.78 C ATOM 141 O CYS A 98 -2.528 -2.804 -6.279 1.00 4.46 O ATOM 142 CB CYS A 98 -2.087 0.603 -5.214 1.00 2.97 C ATOM 143 SG CYS A 98 -1.761 -0.014 -3.546 1.00 2.58 S ATOM 0 H CYS A 98 -4.211 -1.285 -4.893 1.00 4.16 H new ATOM 0 HA CYS A 98 -2.791 -0.019 -7.148 1.00 3.60 H new ATOM 0 HB2 CYS A 98 -1.146 0.917 -5.665 1.00 2.97 H new ATOM 0 HB3 CYS A 98 -2.719 1.489 -5.146 1.00 2.97 H new ATOM 0 HG CYS A 98 -0.819 -0.909 -3.591 1.00 2.58 H new ATOM 149 N SER A 99 -0.642 -1.603 -6.017 1.00 3.54 N ATOM 150 CA SER A 99 0.235 -2.770 -6.012 1.00 4.08 C ATOM 151 C SER A 99 1.367 -2.588 -5.005 1.00 3.73 C ATOM 152 O SER A 99 1.783 -1.464 -4.724 1.00 3.54 O ATOM 153 CB SER A 99 0.813 -3.007 -7.408 1.00 5.02 C ATOM 154 OG SER A 99 0.729 -4.375 -7.769 1.00 5.76 O ATOM 0 H SER A 99 -0.158 -0.712 -5.910 1.00 3.54 H new ATOM 0 HA SER A 99 -0.355 -3.639 -5.720 1.00 4.08 H new ATOM 0 HB2 SER A 99 0.273 -2.402 -8.136 1.00 5.02 H new ATOM 0 HB3 SER A 99 1.854 -2.684 -7.434 1.00 5.02 H new ATOM 0 HG SER A 99 0.708 -4.926 -6.959 1.00 5.76 H new ATOM 160 N ALA A 100 1.858 -3.696 -4.459 1.00 3.97 N ATOM 161 CA ALA A 100 2.941 -3.649 -3.481 1.00 3.95 C ATOM 162 C ALA A 100 3.946 -4.771 -3.717 1.00 4.93 C ATOM 163 O ALA A 100 3.618 -5.795 -4.316 1.00 5.47 O ATOM 164 CB ALA A 100 2.379 -3.731 -2.070 1.00 3.19 C ATOM 0 H ALA A 100 1.525 -4.635 -4.676 1.00 3.97 H new ATOM 0 HA ALA A 100 3.463 -2.700 -3.600 1.00 3.95 H new ATOM 0 HB1 ALA A 100 3.197 -3.695 -1.350 1.00 3.19 H new ATOM 0 HB2 ALA A 100 1.706 -2.891 -1.897 1.00 3.19 H new ATOM 0 HB3 ALA A 100 1.831 -4.666 -1.950 1.00 3.19 H new ATOM 170 N ILE A 101 5.171 -4.565 -3.248 1.00 5.36 N ATOM 171 CA ILE A 101 6.232 -5.553 -3.410 1.00 6.34 C ATOM 172 C ILE A 101 6.326 -6.471 -2.196 1.00 6.26 C ATOM 173 O ILE A 101 6.339 -6.010 -1.055 1.00 5.81 O ATOM 174 CB ILE A 101 7.598 -4.877 -3.633 1.00 7.10 C ATOM 175 CG1 ILE A 101 7.480 -3.765 -4.677 1.00 7.16 C ATOM 176 CG2 ILE A 101 8.635 -5.904 -4.063 1.00 8.16 C ATOM 177 CD1 ILE A 101 8.030 -2.435 -4.210 1.00 7.47 C ATOM 0 H ILE A 101 5.455 -3.721 -2.751 1.00 5.36 H new ATOM 0 HA ILE A 101 5.977 -6.146 -4.289 1.00 6.34 H new ATOM 0 HB ILE A 101 7.922 -4.433 -2.692 1.00 7.10 H new ATOM 0 HG12 ILE A 101 8.007 -4.069 -5.581 1.00 7.16 H new ATOM 0 HG13 ILE A 101 6.431 -3.641 -4.946 1.00 7.16 H new ATOM 0 HG21 ILE A 101 9.594 -5.410 -4.216 1.00 8.16 H new ATOM 0 HG22 ILE A 101 8.738 -6.664 -3.288 1.00 8.16 H new ATOM 0 HG23 ILE A 101 8.317 -6.375 -4.993 1.00 8.16 H new ATOM 0 HD11 ILE A 101 7.913 -1.695 -5.001 1.00 7.47 H new ATOM 0 HD12 ILE A 101 7.487 -2.108 -3.323 1.00 7.47 H new ATOM 0 HD13 ILE A 101 9.087 -2.543 -3.968 1.00 7.47 H new ATOM 189 N TRP A 102 6.394 -7.774 -2.452 1.00 6.86 N ATOM 190 CA TRP A 102 6.492 -8.765 -1.385 1.00 6.96 C ATOM 191 C TRP A 102 7.952 -9.050 -1.047 1.00 7.60 C ATOM 192 O TRP A 102 8.820 -9.011 -1.920 1.00 8.38 O ATOM 193 CB TRP A 102 5.788 -10.061 -1.799 1.00 7.61 C ATOM 194 CG TRP A 102 5.367 -10.920 -0.640 1.00 7.54 C ATOM 195 CD1 TRP A 102 5.298 -10.553 0.675 1.00 6.89 C ATOM 196 CD2 TRP A 102 4.957 -12.291 -0.695 1.00 8.31 C ATOM 197 NE1 TRP A 102 4.869 -11.612 1.438 1.00 7.22 N ATOM 198 CE2 TRP A 102 4.652 -12.689 0.620 1.00 8.10 C ATOM 199 CE3 TRP A 102 4.814 -13.220 -1.730 1.00 9.26 C ATOM 200 CZ2 TRP A 102 4.218 -13.976 0.928 1.00 8.82 C ATOM 201 CZ3 TRP A 102 4.381 -14.497 -1.424 1.00 9.95 C ATOM 202 CH2 TRP A 102 4.087 -14.864 -0.105 1.00 9.73 C ATOM 0 H TRP A 102 6.383 -8.169 -3.392 1.00 6.86 H new ATOM 0 HA TRP A 102 6.003 -8.363 -0.498 1.00 6.96 H new ATOM 0 HB2 TRP A 102 4.909 -9.812 -2.393 1.00 7.61 H new ATOM 0 HB3 TRP A 102 6.454 -10.636 -2.442 1.00 7.61 H new ATOM 0 HD1 TRP A 102 5.545 -9.574 1.058 1.00 6.89 H new ATOM 0 HE1 TRP A 102 4.734 -11.598 2.449 1.00 7.22 H new ATOM 0 HE3 TRP A 102 5.038 -12.945 -2.750 1.00 9.26 H new ATOM 0 HZ2 TRP A 102 3.993 -14.263 1.945 1.00 8.82 H new ATOM 0 HZ3 TRP A 102 4.268 -15.223 -2.215 1.00 9.95 H new ATOM 0 HH2 TRP A 102 3.750 -15.869 0.101 1.00 9.73 H new ATOM 213 N SER A 103 8.218 -9.337 0.225 1.00 7.36 N ATOM 214 CA SER A 103 9.576 -9.628 0.674 1.00 8.04 C ATOM 215 C SER A 103 9.818 -11.133 0.746 1.00 8.76 C ATOM 216 O SER A 103 10.517 -11.619 1.635 1.00 9.24 O ATOM 217 CB SER A 103 9.831 -8.991 2.043 1.00 7.63 C ATOM 218 OG SER A 103 10.874 -8.037 1.974 1.00 7.51 O ATOM 0 H SER A 103 7.513 -9.374 0.961 1.00 7.36 H new ATOM 0 HA SER A 103 10.269 -9.203 -0.052 1.00 8.04 H new ATOM 0 HB2 SER A 103 8.919 -8.513 2.401 1.00 7.63 H new ATOM 0 HB3 SER A 103 10.089 -9.765 2.766 1.00 7.63 H new ATOM 0 HG SER A 103 11.016 -7.643 2.860 1.00 7.51 H new ATOM 224 N GLU A 104 9.237 -11.866 -0.200 1.00 8.96 N ATOM 225 CA GLU A 104 9.389 -13.318 -0.247 1.00 9.78 C ATOM 226 C GLU A 104 10.244 -13.736 -1.437 1.00 10.72 C ATOM 227 O GLU A 104 11.012 -14.697 -1.357 1.00 11.50 O ATOM 228 CB GLU A 104 8.019 -13.993 -0.326 1.00 9.65 C ATOM 229 CG GLU A 104 8.013 -15.425 0.187 1.00 9.77 C ATOM 230 CD GLU A 104 7.825 -16.445 -0.920 1.00 10.55 C ATOM 231 OE1 GLU A 104 7.842 -16.045 -2.103 1.00 10.99 O ATOM 232 OE2 GLU A 104 7.659 -17.641 -0.604 1.00 10.87 O ATOM 0 H GLU A 104 8.657 -11.479 -0.944 1.00 8.96 H new ATOM 0 HA GLU A 104 9.890 -13.636 0.667 1.00 9.78 H new ATOM 0 HB2 GLU A 104 7.301 -13.407 0.249 1.00 9.65 H new ATOM 0 HB3 GLU A 104 7.679 -13.986 -1.362 1.00 9.65 H new ATOM 0 HG2 GLU A 104 8.952 -15.625 0.704 1.00 9.77 H new ATOM 0 HG3 GLU A 104 7.215 -15.540 0.920 1.00 9.77 H new ATOM 239 N ASP A 105 10.107 -13.011 -2.544 1.00 10.68 N ATOM 240 CA ASP A 105 10.867 -13.306 -3.753 1.00 11.61 C ATOM 241 C ASP A 105 11.137 -12.032 -4.548 1.00 11.51 C ATOM 242 O ASP A 105 11.761 -12.072 -5.608 1.00 12.31 O ATOM 243 CB ASP A 105 10.112 -14.316 -4.621 1.00 12.02 C ATOM 244 CG ASP A 105 10.815 -15.658 -4.691 1.00 12.58 C ATOM 245 OD1 ASP A 105 12.037 -15.677 -4.945 1.00 12.80 O ATOM 246 OD2 ASP A 105 10.141 -16.692 -4.494 1.00 12.93 O ATOM 0 H ASP A 105 9.476 -12.214 -2.628 1.00 10.68 H new ATOM 0 HA ASP A 105 11.823 -13.737 -3.457 1.00 11.61 H new ATOM 0 HB2 ASP A 105 9.108 -14.455 -4.221 1.00 12.02 H new ATOM 0 HB3 ASP A 105 10.001 -13.914 -5.628 1.00 12.02 H new ATOM 251 N GLY A 106 10.661 -10.905 -4.028 1.00 10.59 N ATOM 252 CA GLY A 106 10.861 -9.635 -4.701 1.00 10.51 C ATOM 253 C GLY A 106 9.968 -9.472 -5.915 1.00 10.58 C ATOM 254 O GLY A 106 10.402 -8.961 -6.947 1.00 11.27 O ATOM 0 H GLY A 106 10.140 -10.849 -3.153 1.00 10.59 H new ATOM 0 HA2 GLY A 106 10.668 -8.822 -4.001 1.00 10.51 H new ATOM 0 HA3 GLY A 106 11.904 -9.551 -5.007 1.00 10.51 H new ATOM 258 N CYS A 107 8.716 -9.905 -5.791 1.00 9.96 N ATOM 259 CA CYS A 107 7.760 -9.804 -6.890 1.00 10.08 C ATOM 260 C CYS A 107 6.608 -8.875 -6.520 1.00 9.03 C ATOM 261 O CYS A 107 6.307 -8.682 -5.342 1.00 8.22 O ATOM 262 CB CYS A 107 7.218 -11.188 -7.253 1.00 10.82 C ATOM 263 SG CYS A 107 8.429 -12.267 -8.053 1.00 12.07 S ATOM 0 H CYS A 107 8.340 -10.328 -4.942 1.00 9.96 H new ATOM 0 HA CYS A 107 8.278 -9.388 -7.754 1.00 10.08 H new ATOM 0 HB2 CYS A 107 6.856 -11.674 -6.347 1.00 10.82 H new ATOM 0 HB3 CYS A 107 6.360 -11.069 -7.915 1.00 10.82 H new ATOM 0 HG CYS A 107 7.879 -13.414 -8.319 1.00 12.07 H new ATOM 269 N ILE A 108 5.971 -8.296 -7.534 1.00 9.09 N ATOM 270 CA ILE A 108 4.856 -7.382 -7.314 1.00 8.18 C ATOM 271 C ILE A 108 3.515 -8.097 -7.449 1.00 8.20 C ATOM 272 O ILE A 108 3.296 -8.853 -8.396 1.00 9.05 O ATOM 273 CB ILE A 108 4.897 -6.199 -8.301 1.00 8.31 C ATOM 274 CG1 ILE A 108 6.277 -5.541 -8.283 1.00 8.80 C ATOM 275 CG2 ILE A 108 3.816 -5.183 -7.957 1.00 7.33 C ATOM 276 CD1 ILE A 108 6.867 -5.340 -9.662 1.00 9.51 C ATOM 0 H ILE A 108 6.208 -8.444 -8.515 1.00 9.09 H new ATOM 0 HA ILE A 108 4.958 -7.003 -6.297 1.00 8.18 H new ATOM 0 HB ILE A 108 4.707 -6.577 -9.306 1.00 8.31 H new ATOM 0 HG12 ILE A 108 6.204 -4.575 -7.783 1.00 8.80 H new ATOM 0 HG13 ILE A 108 6.956 -6.155 -7.692 1.00 8.80 H new ATOM 0 HG21 ILE A 108 3.858 -4.354 -8.663 1.00 7.33 H new ATOM 0 HG22 ILE A 108 2.837 -5.659 -8.015 1.00 7.33 H new ATOM 0 HG23 ILE A 108 3.978 -4.808 -6.947 1.00 7.33 H new ATOM 0 HD11 ILE A 108 7.846 -4.869 -9.574 1.00 9.51 H new ATOM 0 HD12 ILE A 108 6.972 -6.305 -10.157 1.00 9.51 H new ATOM 0 HD13 ILE A 108 6.208 -4.701 -10.250 1.00 9.51 H new ATOM 288 N TYR A 109 2.624 -7.847 -6.495 1.00 7.40 N ATOM 289 CA TYR A 109 1.299 -8.459 -6.499 1.00 7.58 C ATOM 290 C TYR A 109 0.226 -7.422 -6.177 1.00 6.75 C ATOM 291 O TYR A 109 0.490 -6.446 -5.473 1.00 5.79 O ATOM 292 CB TYR A 109 1.239 -9.603 -5.483 1.00 7.78 C ATOM 293 CG TYR A 109 2.210 -10.726 -5.774 1.00 8.74 C ATOM 294 CD1 TYR A 109 1.982 -11.615 -6.818 1.00 9.44 C ATOM 295 CD2 TYR A 109 3.355 -10.897 -5.005 1.00 9.05 C ATOM 296 CE1 TYR A 109 2.866 -12.642 -7.087 1.00 10.35 C ATOM 297 CE2 TYR A 109 4.245 -11.921 -5.269 1.00 9.98 C ATOM 298 CZ TYR A 109 3.996 -12.791 -6.309 1.00 10.60 C ATOM 299 OH TYR A 109 4.880 -13.811 -6.575 1.00 11.54 O ATOM 0 H TYR A 109 2.796 -7.223 -5.707 1.00 7.40 H new ATOM 0 HA TYR A 109 1.111 -8.858 -7.496 1.00 7.58 H new ATOM 0 HB2 TYR A 109 1.444 -9.206 -4.489 1.00 7.78 H new ATOM 0 HB3 TYR A 109 0.227 -10.006 -5.462 1.00 7.78 H new ATOM 0 HD1 TYR A 109 1.099 -11.501 -7.429 1.00 9.44 H new ATOM 0 HD2 TYR A 109 3.552 -10.219 -4.188 1.00 9.05 H new ATOM 0 HE1 TYR A 109 2.674 -13.324 -7.902 1.00 10.35 H new ATOM 0 HE2 TYR A 109 5.131 -12.039 -4.663 1.00 9.98 H new ATOM 0 HH TYR A 109 5.622 -13.775 -5.936 1.00 11.54 H new ATOM 309 N PRO A 110 -1.007 -7.616 -6.686 1.00 7.22 N ATOM 310 CA PRO A 110 -2.116 -6.687 -6.444 1.00 6.71 C ATOM 311 C PRO A 110 -2.364 -6.466 -4.954 1.00 6.03 C ATOM 312 O PRO A 110 -2.334 -7.409 -4.164 1.00 6.34 O ATOM 313 CB PRO A 110 -3.326 -7.373 -7.094 1.00 7.77 C ATOM 314 CG PRO A 110 -2.905 -8.786 -7.328 1.00 8.66 C ATOM 315 CD PRO A 110 -1.419 -8.746 -7.531 1.00 8.42 C ATOM 0 HA PRO A 110 -1.910 -5.698 -6.854 1.00 6.71 H new ATOM 0 HB2 PRO A 110 -4.200 -7.326 -6.444 1.00 7.77 H new ATOM 0 HB3 PRO A 110 -3.598 -6.885 -8.030 1.00 7.77 H new ATOM 0 HG2 PRO A 110 -3.166 -9.417 -6.478 1.00 8.66 H new ATOM 0 HG3 PRO A 110 -3.407 -9.203 -8.201 1.00 8.66 H new ATOM 0 HD2 PRO A 110 -0.943 -9.677 -7.222 1.00 8.42 H new ATOM 0 HD3 PRO A 110 -1.157 -8.586 -8.577 1.00 8.42 H new ATOM 323 N ALA A 111 -2.606 -5.214 -4.579 1.00 5.22 N ATOM 324 CA ALA A 111 -2.856 -4.869 -3.186 1.00 4.71 C ATOM 325 C ALA A 111 -3.791 -3.670 -3.069 1.00 4.65 C ATOM 326 O ALA A 111 -4.114 -3.023 -4.064 1.00 4.72 O ATOM 327 CB ALA A 111 -1.543 -4.586 -2.470 1.00 3.76 C ATOM 0 H ALA A 111 -2.634 -4.422 -5.221 1.00 5.22 H new ATOM 0 HA ALA A 111 -3.344 -5.721 -2.712 1.00 4.71 H new ATOM 0 HB1 ALA A 111 -1.744 -4.329 -1.430 1.00 3.76 H new ATOM 0 HB2 ALA A 111 -0.909 -5.472 -2.509 1.00 3.76 H new ATOM 0 HB3 ALA A 111 -1.035 -3.754 -2.957 1.00 3.76 H new ATOM 333 N THR A 112 -4.223 -3.385 -1.843 1.00 4.78 N ATOM 334 CA THR A 112 -5.125 -2.266 -1.588 1.00 5.14 C ATOM 335 C THR A 112 -4.731 -1.528 -0.311 1.00 4.91 C ATOM 336 O THR A 112 -4.332 -2.145 0.676 1.00 5.15 O ATOM 337 CB THR A 112 -6.584 -2.743 -1.463 1.00 6.32 C ATOM 338 OG1 THR A 112 -6.765 -3.962 -2.193 1.00 6.81 O ATOM 339 CG2 THR A 112 -7.545 -1.686 -1.987 1.00 6.83 C ATOM 0 H THR A 112 -3.963 -3.914 -1.011 1.00 4.78 H new ATOM 0 HA THR A 112 -5.043 -1.588 -2.438 1.00 5.14 H new ATOM 0 HB THR A 112 -6.798 -2.916 -0.408 1.00 6.32 H new ATOM 0 HG1 THR A 112 -7.695 -4.260 -2.107 1.00 6.81 H new ATOM 0 HG21 THR A 112 -8.570 -2.045 -1.889 1.00 6.83 H new ATOM 0 HG22 THR A 112 -7.425 -0.768 -1.412 1.00 6.83 H new ATOM 0 HG23 THR A 112 -7.330 -1.487 -3.037 1.00 6.83 H new ATOM 347 N ILE A 113 -4.845 -0.204 -0.338 1.00 4.70 N ATOM 348 CA ILE A 113 -4.498 0.621 0.817 1.00 4.93 C ATOM 349 C ILE A 113 -5.583 0.556 1.890 1.00 6.00 C ATOM 350 O ILE A 113 -6.657 1.135 1.737 1.00 6.70 O ATOM 351 CB ILE A 113 -4.273 2.091 0.403 1.00 4.99 C ATOM 352 CG1 ILE A 113 -3.070 2.195 -0.536 1.00 4.08 C ATOM 353 CG2 ILE A 113 -4.069 2.971 1.629 1.00 5.66 C ATOM 354 CD1 ILE A 113 -3.423 2.707 -1.915 1.00 4.34 C ATOM 0 H ILE A 113 -5.175 0.322 -1.147 1.00 4.70 H new ATOM 0 HA ILE A 113 -3.571 0.222 1.229 1.00 4.93 H new ATOM 0 HB ILE A 113 -5.161 2.442 -0.123 1.00 4.99 H new ATOM 0 HG12 ILE A 113 -2.328 2.857 -0.090 1.00 4.08 H new ATOM 0 HG13 ILE A 113 -2.606 1.213 -0.629 1.00 4.08 H new ATOM 0 HG21 ILE A 113 -3.912 4.003 1.314 1.00 5.66 H new ATOM 0 HG22 ILE A 113 -4.951 2.916 2.267 1.00 5.66 H new ATOM 0 HG23 ILE A 113 -3.197 2.625 2.184 1.00 5.66 H new ATOM 0 HD11 ILE A 113 -2.522 2.755 -2.527 1.00 4.34 H new ATOM 0 HD12 ILE A 113 -4.142 2.033 -2.380 1.00 4.34 H new ATOM 0 HD13 ILE A 113 -3.859 3.703 -1.833 1.00 4.34 H new ATOM 366 N ALA A 114 -5.296 -0.165 2.969 1.00 6.19 N ATOM 367 CA ALA A 114 -6.249 -0.319 4.065 1.00 7.25 C ATOM 368 C ALA A 114 -6.086 0.777 5.114 1.00 7.83 C ATOM 369 O ALA A 114 -7.061 1.192 5.742 1.00 8.77 O ATOM 370 CB ALA A 114 -6.099 -1.691 4.706 1.00 7.35 C ATOM 0 H ALA A 114 -4.411 -0.652 3.109 1.00 6.19 H new ATOM 0 HA ALA A 114 -7.251 -0.228 3.646 1.00 7.25 H new ATOM 0 HB1 ALA A 114 -6.815 -1.792 5.521 1.00 7.35 H new ATOM 0 HB2 ALA A 114 -6.287 -2.463 3.960 1.00 7.35 H new ATOM 0 HB3 ALA A 114 -5.087 -1.802 5.096 1.00 7.35 H new ATOM 376 N SER A 115 -4.855 1.239 5.309 1.00 7.42 N ATOM 377 CA SER A 115 -4.582 2.282 6.291 1.00 8.19 C ATOM 378 C SER A 115 -3.350 3.090 5.904 1.00 7.84 C ATOM 379 O SER A 115 -2.488 2.616 5.165 1.00 6.96 O ATOM 380 CB SER A 115 -4.384 1.668 7.679 1.00 8.69 C ATOM 381 OG SER A 115 -5.589 1.105 8.166 1.00 9.20 O ATOM 0 H SER A 115 -4.034 0.909 4.802 1.00 7.42 H new ATOM 0 HA SER A 115 -5.441 2.952 6.315 1.00 8.19 H new ATOM 0 HB2 SER A 115 -3.613 0.899 7.633 1.00 8.69 H new ATOM 0 HB3 SER A 115 -4.031 2.433 8.371 1.00 8.69 H new ATOM 0 HG SER A 115 -6.287 1.186 7.483 1.00 9.20 H new ATOM 387 N ILE A 116 -3.278 4.316 6.411 1.00 8.68 N ATOM 388 CA ILE A 116 -2.154 5.201 6.125 1.00 8.72 C ATOM 389 C ILE A 116 -1.745 5.971 7.376 1.00 9.82 C ATOM 390 O ILE A 116 -2.580 6.290 8.221 1.00 10.64 O ATOM 391 CB ILE A 116 -2.500 6.205 5.007 1.00 8.70 C ATOM 392 CG1 ILE A 116 -2.941 5.471 3.742 1.00 7.65 C ATOM 393 CG2 ILE A 116 -1.310 7.106 4.711 1.00 8.99 C ATOM 394 CD1 ILE A 116 -3.774 6.326 2.815 1.00 7.79 C ATOM 0 H ILE A 116 -3.986 4.720 7.023 1.00 8.68 H new ATOM 0 HA ILE A 116 -1.326 4.575 5.793 1.00 8.72 H new ATOM 0 HB ILE A 116 -3.327 6.827 5.350 1.00 8.70 H new ATOM 0 HG12 ILE A 116 -2.058 5.121 3.207 1.00 7.65 H new ATOM 0 HG13 ILE A 116 -3.514 4.588 4.024 1.00 7.65 H new ATOM 0 HG21 ILE A 116 -1.573 7.808 3.920 1.00 8.99 H new ATOM 0 HG22 ILE A 116 -1.039 7.659 5.611 1.00 8.99 H new ATOM 0 HG23 ILE A 116 -0.464 6.498 4.390 1.00 8.99 H new ATOM 0 HD11 ILE A 116 -4.054 5.744 1.937 1.00 7.79 H new ATOM 0 HD12 ILE A 116 -4.674 6.655 3.334 1.00 7.79 H new ATOM 0 HD13 ILE A 116 -3.196 7.196 2.505 1.00 7.79 H new ATOM 406 N ASP A 117 -0.453 6.269 7.488 1.00 9.92 N ATOM 407 CA ASP A 117 0.061 7.003 8.635 1.00 11.01 C ATOM 408 C ASP A 117 1.025 8.102 8.192 1.00 11.42 C ATOM 409 O ASP A 117 2.213 7.851 7.985 1.00 11.09 O ATOM 410 CB ASP A 117 0.762 6.051 9.607 1.00 11.04 C ATOM 411 CG ASP A 117 0.141 6.075 10.990 1.00 11.32 C ATOM 412 OD1 ASP A 117 0.419 7.029 11.748 1.00 11.44 O ATOM 413 OD2 ASP A 117 -0.622 5.142 11.316 1.00 11.56 O ATOM 0 H ASP A 117 0.254 6.013 6.799 1.00 9.92 H new ATOM 0 HA ASP A 117 -0.783 7.470 9.143 1.00 11.01 H new ATOM 0 HB2 ASP A 117 0.720 5.036 9.211 1.00 11.04 H new ATOM 0 HB3 ASP A 117 1.815 6.322 9.680 1.00 11.04 H new ATOM 418 N PHE A 118 0.499 9.315 8.041 1.00 12.23 N ATOM 419 CA PHE A 118 1.302 10.459 7.614 1.00 12.79 C ATOM 420 C PHE A 118 2.498 10.686 8.539 1.00 13.61 C ATOM 421 O PHE A 118 3.386 11.481 8.227 1.00 14.24 O ATOM 422 CB PHE A 118 0.441 11.724 7.568 1.00 13.45 C ATOM 423 CG PHE A 118 -0.838 11.554 6.798 1.00 12.78 C ATOM 424 CD1 PHE A 118 -0.850 11.668 5.417 1.00 12.45 C ATOM 425 CD2 PHE A 118 -2.027 11.278 7.454 1.00 12.56 C ATOM 426 CE1 PHE A 118 -2.022 11.509 4.703 1.00 11.89 C ATOM 427 CE2 PHE A 118 -3.204 11.119 6.747 1.00 12.01 C ATOM 428 CZ PHE A 118 -3.208 11.246 5.377 1.00 11.67 C ATOM 0 H PHE A 118 -0.483 9.532 8.209 1.00 12.23 H new ATOM 0 HA PHE A 118 1.681 10.238 6.616 1.00 12.79 H new ATOM 0 HB2 PHE A 118 0.204 12.029 8.587 1.00 13.45 H new ATOM 0 HB3 PHE A 118 1.020 12.531 7.120 1.00 13.45 H new ATOM 0 HD1 PHE A 118 0.069 11.884 4.892 1.00 12.45 H new ATOM 0 HD2 PHE A 118 -2.034 11.186 8.530 1.00 12.56 H new ATOM 0 HE1 PHE A 118 -2.016 11.589 3.626 1.00 11.89 H new ATOM 0 HE2 PHE A 118 -4.122 10.895 7.271 1.00 12.01 H new ATOM 0 HZ PHE A 118 -4.131 11.141 4.827 1.00 11.67 H new ATOM 438 N LYS A 119 2.515 9.989 9.671 1.00 13.66 N ATOM 439 CA LYS A 119 3.602 10.119 10.637 1.00 14.45 C ATOM 440 C LYS A 119 4.960 9.932 9.964 1.00 14.19 C ATOM 441 O LYS A 119 5.687 10.898 9.732 1.00 14.83 O ATOM 442 CB LYS A 119 3.433 9.100 11.766 1.00 14.52 C ATOM 443 CG LYS A 119 2.607 9.617 12.932 1.00 15.42 C ATOM 444 CD LYS A 119 3.456 9.800 14.180 1.00 16.01 C ATOM 445 CE LYS A 119 3.636 11.271 14.520 1.00 16.53 C ATOM 446 NZ LYS A 119 3.183 11.579 15.905 1.00 16.87 N ATOM 0 H LYS A 119 1.788 9.327 9.943 1.00 13.66 H new ATOM 0 HA LYS A 119 3.563 11.125 11.055 1.00 14.45 H new ATOM 0 HB2 LYS A 119 2.961 8.202 11.367 1.00 14.52 H new ATOM 0 HB3 LYS A 119 4.418 8.807 12.130 1.00 14.52 H new ATOM 0 HG2 LYS A 119 2.148 10.568 12.661 1.00 15.42 H new ATOM 0 HG3 LYS A 119 1.796 8.920 13.142 1.00 15.42 H new ATOM 0 HD2 LYS A 119 2.987 9.286 15.019 1.00 16.01 H new ATOM 0 HD3 LYS A 119 4.432 9.338 14.029 1.00 16.01 H new ATOM 0 HE2 LYS A 119 4.686 11.543 14.412 1.00 16.53 H new ATOM 0 HE3 LYS A 119 3.075 11.879 13.811 1.00 16.53 H new ATOM 0 HZ1 LYS A 119 3.322 12.591 16.099 1.00 16.87 H new ATOM 0 HZ2 LYS A 119 2.175 11.343 16.001 1.00 16.87 H new ATOM 0 HZ3 LYS A 119 3.736 11.018 16.584 1.00 16.87 H new ATOM 460 N ARG A 120 5.295 8.684 9.651 1.00 13.31 N ATOM 461 CA ARG A 120 6.564 8.370 9.002 1.00 13.08 C ATOM 462 C ARG A 120 6.347 8.015 7.535 1.00 12.15 C ATOM 463 O ARG A 120 7.059 7.179 6.976 1.00 11.68 O ATOM 464 CB ARG A 120 7.257 7.215 9.724 1.00 12.82 C ATOM 465 CG ARG A 120 8.322 7.666 10.711 1.00 13.39 C ATOM 466 CD ARG A 120 9.311 6.553 11.009 1.00 13.47 C ATOM 467 NE ARG A 120 10.241 6.338 9.906 1.00 14.06 N ATOM 468 CZ ARG A 120 11.551 6.546 9.994 1.00 14.44 C ATOM 469 NH1 ARG A 120 12.085 6.968 11.133 1.00 14.31 N ATOM 470 NH2 ARG A 120 12.329 6.329 8.943 1.00 15.09 N ATOM 0 H ARG A 120 4.705 7.873 9.836 1.00 13.31 H new ATOM 0 HA ARG A 120 7.201 9.253 9.053 1.00 13.08 H new ATOM 0 HB2 ARG A 120 6.508 6.627 10.254 1.00 12.82 H new ATOM 0 HB3 ARG A 120 7.714 6.557 8.985 1.00 12.82 H new ATOM 0 HG2 ARG A 120 8.853 8.528 10.306 1.00 13.39 H new ATOM 0 HG3 ARG A 120 7.847 7.990 11.637 1.00 13.39 H new ATOM 0 HD2 ARG A 120 9.870 6.797 11.912 1.00 13.47 H new ATOM 0 HD3 ARG A 120 8.768 5.630 11.210 1.00 13.47 H new ATOM 0 HE ARG A 120 9.865 6.009 9.017 1.00 14.06 H new ATOM 0 HH11 ARG A 120 11.490 7.134 11.945 1.00 14.31 H new ATOM 0 HH12 ARG A 120 13.091 7.127 11.197 1.00 14.31 H new ATOM 0 HH21 ARG A 120 11.923 6.002 8.066 1.00 15.09 H new ATOM 0 HH22 ARG A 120 13.334 6.489 9.011 1.00 15.09 H new ATOM 484 N GLU A 121 5.362 8.665 6.921 1.00 11.98 N ATOM 485 CA GLU A 121 5.038 8.432 5.515 1.00 11.15 C ATOM 486 C GLU A 121 4.992 6.938 5.204 1.00 10.00 C ATOM 487 O GLU A 121 5.806 6.429 4.432 1.00 9.65 O ATOM 488 CB GLU A 121 6.063 9.119 4.609 1.00 11.64 C ATOM 489 CG GLU A 121 6.512 10.479 5.117 1.00 12.24 C ATOM 490 CD GLU A 121 7.090 11.347 4.016 1.00 13.04 C ATOM 491 OE1 GLU A 121 7.799 10.805 3.142 1.00 13.22 O ATOM 492 OE2 GLU A 121 6.834 12.570 4.028 1.00 13.61 O ATOM 0 H GLU A 121 4.771 9.361 7.377 1.00 11.98 H new ATOM 0 HA GLU A 121 4.052 8.856 5.324 1.00 11.15 H new ATOM 0 HB2 GLU A 121 6.935 8.473 4.507 1.00 11.64 H new ATOM 0 HB3 GLU A 121 5.634 9.236 3.614 1.00 11.64 H new ATOM 0 HG2 GLU A 121 5.664 10.991 5.572 1.00 12.24 H new ATOM 0 HG3 GLU A 121 7.260 10.343 5.899 1.00 12.24 H new ATOM 499 N THR A 122 4.037 6.239 5.808 1.00 9.51 N ATOM 500 CA THR A 122 3.891 4.806 5.593 1.00 8.44 C ATOM 501 C THR A 122 2.427 4.424 5.413 1.00 7.82 C ATOM 502 O THR A 122 1.541 5.277 5.484 1.00 8.35 O ATOM 503 CB THR A 122 4.480 4.000 6.765 1.00 8.64 C ATOM 504 OG1 THR A 122 3.993 4.514 8.010 1.00 9.57 O ATOM 505 CG2 THR A 122 6.000 4.057 6.747 1.00 8.95 C ATOM 0 H THR A 122 3.354 6.642 6.449 1.00 9.51 H new ATOM 0 HA THR A 122 4.441 4.565 4.683 1.00 8.44 H new ATOM 0 HB THR A 122 4.168 2.961 6.656 1.00 8.64 H new ATOM 0 HG1 THR A 122 4.372 3.994 8.749 1.00 9.57 H new ATOM 0 HG21 THR A 122 6.396 3.481 7.584 1.00 8.95 H new ATOM 0 HG22 THR A 122 6.369 3.638 5.811 1.00 8.95 H new ATOM 0 HG23 THR A 122 6.326 5.093 6.834 1.00 8.95 H new ATOM 513 N CYS A 123 2.180 3.140 5.180 1.00 6.82 N ATOM 514 CA CYS A 123 0.821 2.645 4.989 1.00 6.32 C ATOM 515 C CYS A 123 0.781 1.121 5.035 1.00 5.48 C ATOM 516 O CYS A 123 1.821 0.462 5.055 1.00 5.04 O ATOM 517 CB CYS A 123 0.263 3.138 3.654 1.00 5.96 C ATOM 518 SG CYS A 123 1.253 2.656 2.219 1.00 5.05 S ATOM 0 H CYS A 123 2.903 2.423 5.119 1.00 6.82 H new ATOM 0 HA CYS A 123 0.205 3.030 5.802 1.00 6.32 H new ATOM 0 HB2 CYS A 123 -0.749 2.752 3.530 1.00 5.96 H new ATOM 0 HB3 CYS A 123 0.188 4.225 3.682 1.00 5.96 H new ATOM 0 HG CYS A 123 2.416 2.232 2.617 1.00 5.05 H new ATOM 524 N VAL A 124 -0.428 0.571 5.051 1.00 5.51 N ATOM 525 CA VAL A 124 -0.617 -0.875 5.095 1.00 5.03 C ATOM 526 C VAL A 124 -1.452 -1.346 3.908 1.00 4.47 C ATOM 527 O VAL A 124 -2.568 -0.873 3.700 1.00 4.86 O ATOM 528 CB VAL A 124 -1.306 -1.305 6.405 1.00 5.88 C ATOM 529 CG1 VAL A 124 -1.592 -2.798 6.400 1.00 5.71 C ATOM 530 CG2 VAL A 124 -0.452 -0.921 7.604 1.00 6.50 C ATOM 0 H VAL A 124 -1.296 1.107 5.034 1.00 5.51 H new ATOM 0 HA VAL A 124 0.370 -1.335 5.047 1.00 5.03 H new ATOM 0 HB VAL A 124 -2.259 -0.781 6.481 1.00 5.88 H new ATOM 0 HG11 VAL A 124 -2.078 -3.078 7.334 1.00 5.71 H new ATOM 0 HG12 VAL A 124 -2.247 -3.040 5.563 1.00 5.71 H new ATOM 0 HG13 VAL A 124 -0.656 -3.347 6.299 1.00 5.71 H new ATOM 0 HG21 VAL A 124 -0.952 -1.231 8.521 1.00 6.50 H new ATOM 0 HG22 VAL A 124 0.517 -1.415 7.534 1.00 6.50 H new ATOM 0 HG23 VAL A 124 -0.308 0.159 7.617 1.00 6.50 H new ATOM 540 N VAL A 125 -0.905 -2.275 3.128 1.00 3.79 N ATOM 541 CA VAL A 125 -1.604 -2.798 1.961 1.00 3.55 C ATOM 542 C VAL A 125 -1.964 -4.270 2.136 1.00 4.11 C ATOM 543 O VAL A 125 -1.192 -5.048 2.697 1.00 4.19 O ATOM 544 CB VAL A 125 -0.755 -2.640 0.684 1.00 2.74 C ATOM 545 CG1 VAL A 125 -0.651 -1.175 0.292 1.00 2.53 C ATOM 546 CG2 VAL A 125 0.627 -3.247 0.881 1.00 2.61 C ATOM 0 H VAL A 125 0.018 -2.679 3.284 1.00 3.79 H new ATOM 0 HA VAL A 125 -2.521 -2.217 1.860 1.00 3.55 H new ATOM 0 HB VAL A 125 -1.248 -3.176 -0.127 1.00 2.74 H new ATOM 0 HG11 VAL A 125 -0.048 -1.082 -0.611 1.00 2.53 H new ATOM 0 HG12 VAL A 125 -1.648 -0.777 0.105 1.00 2.53 H new ATOM 0 HG13 VAL A 125 -0.182 -0.614 1.101 1.00 2.53 H new ATOM 0 HG21 VAL A 125 1.211 -3.126 -0.031 1.00 2.61 H new ATOM 0 HG22 VAL A 125 1.132 -2.743 1.705 1.00 2.61 H new ATOM 0 HG23 VAL A 125 0.529 -4.308 1.111 1.00 2.61 H new ATOM 556 N VAL A 126 -3.141 -4.646 1.645 1.00 4.74 N ATOM 557 CA VAL A 126 -3.607 -6.025 1.736 1.00 5.60 C ATOM 558 C VAL A 126 -3.446 -6.741 0.400 1.00 5.78 C ATOM 559 O VAL A 126 -3.708 -6.166 -0.656 1.00 5.73 O ATOM 560 CB VAL A 126 -5.083 -6.093 2.173 1.00 6.59 C ATOM 561 CG1 VAL A 126 -5.535 -7.537 2.325 1.00 7.53 C ATOM 562 CG2 VAL A 126 -5.289 -5.326 3.471 1.00 6.75 C ATOM 0 H VAL A 126 -3.791 -4.013 1.179 1.00 4.74 H new ATOM 0 HA VAL A 126 -2.995 -6.521 2.489 1.00 5.60 H new ATOM 0 HB VAL A 126 -5.692 -5.628 1.397 1.00 6.59 H new ATOM 0 HG11 VAL A 126 -6.580 -7.561 2.634 1.00 7.53 H new ATOM 0 HG12 VAL A 126 -5.427 -8.054 1.372 1.00 7.53 H new ATOM 0 HG13 VAL A 126 -4.923 -8.033 3.078 1.00 7.53 H new ATOM 0 HG21 VAL A 126 -6.337 -5.384 3.766 1.00 6.75 H new ATOM 0 HG22 VAL A 126 -4.667 -5.761 4.253 1.00 6.75 H new ATOM 0 HG23 VAL A 126 -5.010 -4.282 3.325 1.00 6.75 H new ATOM 572 N TYR A 127 -3.014 -7.996 0.452 1.00 6.19 N ATOM 573 CA TYR A 127 -2.814 -8.787 -0.755 1.00 6.72 C ATOM 574 C TYR A 127 -4.134 -9.355 -1.266 1.00 7.79 C ATOM 575 O TYR A 127 -4.633 -10.354 -0.749 1.00 8.59 O ATOM 576 CB TYR A 127 -1.821 -9.920 -0.483 1.00 7.03 C ATOM 577 CG TYR A 127 -0.375 -9.476 -0.508 1.00 6.28 C ATOM 578 CD1 TYR A 127 0.083 -8.487 0.357 1.00 5.71 C ATOM 579 CD2 TYR A 127 0.531 -10.042 -1.394 1.00 6.38 C ATOM 580 CE1 TYR A 127 1.403 -8.077 0.335 1.00 5.23 C ATOM 581 CE2 TYR A 127 1.852 -9.637 -1.421 1.00 5.99 C ATOM 582 CZ TYR A 127 2.281 -8.654 -0.555 1.00 5.42 C ATOM 583 OH TYR A 127 3.595 -8.247 -0.579 1.00 5.31 O ATOM 0 H TYR A 127 -2.795 -8.487 1.319 1.00 6.19 H new ATOM 0 HA TYR A 127 -2.407 -8.133 -1.526 1.00 6.72 H new ATOM 0 HB2 TYR A 127 -2.041 -10.359 0.490 1.00 7.03 H new ATOM 0 HB3 TYR A 127 -1.965 -10.704 -1.226 1.00 7.03 H new ATOM 0 HD1 TYR A 127 -0.603 -8.033 1.056 1.00 5.71 H new ATOM 0 HD2 TYR A 127 0.198 -10.812 -2.074 1.00 6.38 H new ATOM 0 HE1 TYR A 127 1.744 -7.308 1.012 1.00 5.23 H new ATOM 0 HE2 TYR A 127 2.544 -10.088 -2.117 1.00 5.99 H new ATOM 0 HH TYR A 127 4.154 -8.918 -0.134 1.00 5.31 H new ATOM 593 N THR A 128 -4.692 -8.706 -2.284 1.00 7.86 N ATOM 594 CA THR A 128 -5.954 -9.141 -2.871 1.00 8.91 C ATOM 595 C THR A 128 -5.844 -10.547 -3.449 1.00 9.91 C ATOM 596 O THR A 128 -5.217 -10.754 -4.488 1.00 10.27 O ATOM 597 CB THR A 128 -6.413 -8.181 -3.986 1.00 8.84 C ATOM 598 OG1 THR A 128 -5.622 -6.987 -3.965 1.00 7.77 O ATOM 599 CG2 THR A 128 -7.884 -7.823 -3.823 1.00 9.50 C ATOM 0 H THR A 128 -4.289 -7.876 -2.719 1.00 7.86 H new ATOM 0 HA THR A 128 -6.689 -9.139 -2.066 1.00 8.91 H new ATOM 0 HB THR A 128 -6.282 -8.686 -4.943 1.00 8.84 H new ATOM 0 HG1 THR A 128 -5.920 -6.384 -4.678 1.00 7.77 H new ATOM 0 HG21 THR A 128 -8.184 -7.145 -4.622 1.00 9.50 H new ATOM 0 HG22 THR A 128 -8.487 -8.730 -3.872 1.00 9.50 H new ATOM 0 HG23 THR A 128 -8.036 -7.338 -2.859 1.00 9.50 H new ATOM 607 N GLY A 129 -6.464 -11.510 -2.772 1.00 10.49 N ATOM 608 CA GLY A 129 -6.430 -12.884 -3.241 1.00 11.51 C ATOM 609 C GLY A 129 -5.532 -13.775 -2.403 1.00 11.53 C ATOM 610 O GLY A 129 -5.439 -14.977 -2.654 1.00 12.41 O ATOM 0 H GLY A 129 -6.988 -11.364 -1.909 1.00 10.49 H new ATOM 0 HA2 GLY A 129 -7.442 -13.289 -3.235 1.00 11.51 H new ATOM 0 HA3 GLY A 129 -6.086 -12.901 -4.275 1.00 11.51 H new ATOM 614 N TYR A 130 -4.865 -13.193 -1.412 1.00 10.62 N ATOM 615 CA TYR A 130 -3.969 -13.954 -0.546 1.00 10.62 C ATOM 616 C TYR A 130 -4.406 -13.868 0.913 1.00 10.60 C ATOM 617 O TYR A 130 -4.047 -14.720 1.727 1.00 11.27 O ATOM 618 CB TYR A 130 -2.533 -13.444 -0.692 1.00 9.73 C ATOM 619 CG TYR A 130 -2.002 -13.527 -2.107 1.00 10.03 C ATOM 620 CD1 TYR A 130 -1.369 -14.674 -2.564 1.00 10.64 C ATOM 621 CD2 TYR A 130 -2.131 -12.454 -2.980 1.00 9.83 C ATOM 622 CE1 TYR A 130 -0.881 -14.754 -3.855 1.00 11.09 C ATOM 623 CE2 TYR A 130 -1.646 -12.526 -4.272 1.00 10.27 C ATOM 624 CZ TYR A 130 -1.033 -13.681 -4.709 1.00 10.92 C ATOM 625 OH TYR A 130 -0.534 -13.751 -5.989 1.00 11.49 O ATOM 0 H TYR A 130 -4.927 -12.200 -1.188 1.00 10.62 H new ATOM 0 HA TYR A 130 -4.012 -14.999 -0.853 1.00 10.62 H new ATOM 0 HB2 TYR A 130 -2.488 -12.408 -0.356 1.00 9.73 H new ATOM 0 HB3 TYR A 130 -1.883 -14.021 -0.034 1.00 9.73 H new ATOM 0 HD1 TYR A 130 -1.256 -15.518 -1.900 1.00 10.64 H new ATOM 0 HD2 TYR A 130 -2.618 -11.550 -2.644 1.00 9.83 H new ATOM 0 HE1 TYR A 130 -0.384 -15.651 -4.193 1.00 11.09 H new ATOM 0 HE2 TYR A 130 -1.747 -11.681 -4.937 1.00 10.27 H new ATOM 0 HH TYR A 130 0.180 -13.089 -6.098 1.00 11.49 H new ATOM 635 N GLY A 131 -5.183 -12.840 1.238 1.00 9.97 N ATOM 636 CA GLY A 131 -5.655 -12.668 2.601 1.00 10.07 C ATOM 637 C GLY A 131 -4.525 -12.419 3.582 1.00 9.30 C ATOM 638 O GLY A 131 -4.522 -12.963 4.686 1.00 9.47 O ATOM 0 H GLY A 131 -5.495 -12.123 0.583 1.00 9.97 H new ATOM 0 HA2 GLY A 131 -6.353 -11.832 2.637 1.00 10.07 H new ATOM 0 HA3 GLY A 131 -6.206 -13.557 2.906 1.00 10.07 H new ATOM 642 N ASN A 132 -3.565 -11.596 3.178 1.00 8.58 N ATOM 643 CA ASN A 132 -2.422 -11.271 4.025 1.00 7.89 C ATOM 644 C ASN A 132 -2.202 -9.764 4.081 1.00 6.95 C ATOM 645 O ASN A 132 -2.536 -9.047 3.140 1.00 6.64 O ATOM 646 CB ASN A 132 -1.161 -11.963 3.500 1.00 7.85 C ATOM 647 CG ASN A 132 -0.202 -12.344 4.610 1.00 7.69 C ATOM 648 OD1 ASN A 132 -0.592 -12.472 5.770 1.00 7.99 O ATOM 649 ND2 ASN A 132 1.066 -12.529 4.257 1.00 7.49 N ATOM 0 H ASN A 132 -3.555 -11.140 2.266 1.00 8.58 H new ATOM 0 HA ASN A 132 -2.632 -11.628 5.033 1.00 7.89 H new ATOM 0 HB2 ASN A 132 -1.445 -12.858 2.947 1.00 7.85 H new ATOM 0 HB3 ASN A 132 -0.654 -11.302 2.797 1.00 7.85 H new ATOM 0 HD21 ASN A 132 1.759 -12.788 4.960 1.00 7.49 H new ATOM 0 HD22 ASN A 132 1.347 -12.412 3.283 1.00 7.49 H new ATOM 656 N ARG A 133 -1.639 -9.287 5.187 1.00 6.59 N ATOM 657 CA ARG A 133 -1.375 -7.862 5.356 1.00 5.87 C ATOM 658 C ARG A 133 0.126 -7.588 5.360 1.00 5.31 C ATOM 659 O ARG A 133 0.903 -8.351 5.935 1.00 5.65 O ATOM 660 CB ARG A 133 -2.005 -7.356 6.654 1.00 6.37 C ATOM 661 CG ARG A 133 -2.792 -6.067 6.486 1.00 6.55 C ATOM 662 CD ARG A 133 -3.798 -5.875 7.609 1.00 7.46 C ATOM 663 NE ARG A 133 -4.230 -4.484 7.724 1.00 7.96 N ATOM 664 CZ ARG A 133 -4.070 -3.749 8.820 1.00 8.74 C ATOM 665 NH1 ARG A 133 -3.490 -4.270 9.894 1.00 9.12 N ATOM 666 NH2 ARG A 133 -4.489 -2.491 8.844 1.00 9.35 N ATOM 0 H ARG A 133 -1.357 -9.865 5.978 1.00 6.59 H new ATOM 0 HA ARG A 133 -1.821 -7.330 4.516 1.00 5.87 H new ATOM 0 HB2 ARG A 133 -2.666 -8.126 7.052 1.00 6.37 H new ATOM 0 HB3 ARG A 133 -1.219 -7.198 7.392 1.00 6.37 H new ATOM 0 HG2 ARG A 133 -2.105 -5.221 6.464 1.00 6.55 H new ATOM 0 HG3 ARG A 133 -3.313 -6.080 5.529 1.00 6.55 H new ATOM 0 HD2 ARG A 133 -4.665 -6.511 7.431 1.00 7.46 H new ATOM 0 HD3 ARG A 133 -3.355 -6.196 8.552 1.00 7.46 H new ATOM 0 HE ARG A 133 -4.680 -4.052 6.917 1.00 7.96 H new ATOM 0 HH11 ARG A 133 -3.166 -5.237 9.880 1.00 9.12 H new ATOM 0 HH12 ARG A 133 -3.369 -3.703 10.733 1.00 9.12 H new ATOM 0 HH21 ARG A 133 -4.935 -2.086 8.021 1.00 9.35 H new ATOM 0 HH22 ARG A 133 -4.366 -1.928 9.686 1.00 9.35 H new ATOM 680 N GLU A 134 0.527 -6.501 4.712 1.00 4.60 N ATOM 681 CA GLU A 134 1.937 -6.133 4.638 1.00 4.37 C ATOM 682 C GLU A 134 2.110 -4.618 4.614 1.00 4.10 C ATOM 683 O GLU A 134 1.455 -3.921 3.837 1.00 3.69 O ATOM 684 CB GLU A 134 2.575 -6.750 3.391 1.00 4.32 C ATOM 685 CG GLU A 134 4.015 -7.195 3.597 1.00 4.69 C ATOM 686 CD GLU A 134 4.165 -8.185 4.736 1.00 5.28 C ATOM 687 OE1 GLU A 134 3.999 -9.399 4.494 1.00 5.49 O ATOM 688 OE2 GLU A 134 4.449 -7.747 5.870 1.00 5.81 O ATOM 0 H GLU A 134 -0.103 -5.859 4.231 1.00 4.60 H new ATOM 0 HA GLU A 134 2.435 -6.519 5.528 1.00 4.37 H new ATOM 0 HB2 GLU A 134 1.981 -7.608 3.076 1.00 4.32 H new ATOM 0 HB3 GLU A 134 2.541 -6.023 2.579 1.00 4.32 H new ATOM 0 HG2 GLU A 134 4.386 -7.647 2.677 1.00 4.69 H new ATOM 0 HG3 GLU A 134 4.636 -6.322 3.796 1.00 4.69 H new ATOM 695 N GLU A 135 2.995 -4.115 5.467 1.00 4.58 N ATOM 696 CA GLU A 135 3.258 -2.681 5.546 1.00 4.87 C ATOM 697 C GLU A 135 4.263 -2.253 4.481 1.00 4.79 C ATOM 698 O GLU A 135 5.281 -2.914 4.275 1.00 5.09 O ATOM 699 CB GLU A 135 3.783 -2.319 6.937 1.00 5.81 C ATOM 700 CG GLU A 135 3.879 -0.821 7.183 1.00 6.48 C ATOM 701 CD GLU A 135 5.289 -0.292 7.008 1.00 7.38 C ATOM 702 OE1 GLU A 135 6.156 -0.625 7.843 1.00 7.86 O ATOM 703 OE2 GLU A 135 5.526 0.455 6.036 1.00 7.78 O ATOM 0 H GLU A 135 3.544 -4.679 6.115 1.00 4.58 H new ATOM 0 HA GLU A 135 2.322 -2.151 5.367 1.00 4.87 H new ATOM 0 HB2 GLU A 135 3.129 -2.761 7.689 1.00 5.81 H new ATOM 0 HB3 GLU A 135 4.769 -2.764 7.071 1.00 5.81 H new ATOM 0 HG2 GLU A 135 3.211 -0.300 6.497 1.00 6.48 H new ATOM 0 HG3 GLU A 135 3.534 -0.599 8.193 1.00 6.48 H new ATOM 710 N GLN A 136 3.970 -1.145 3.806 1.00 4.64 N ATOM 711 CA GLN A 136 4.849 -0.630 2.758 1.00 4.84 C ATOM 712 C GLN A 136 4.895 0.894 2.785 1.00 5.56 C ATOM 713 O GLN A 136 4.211 1.532 3.586 1.00 5.86 O ATOM 714 CB GLN A 136 4.374 -1.114 1.387 1.00 4.04 C ATOM 715 CG GLN A 136 5.492 -1.251 0.366 1.00 4.34 C ATOM 716 CD GLN A 136 5.893 -2.694 0.128 1.00 4.37 C ATOM 717 OE1 GLN A 136 5.113 -3.616 0.370 1.00 4.53 O ATOM 718 NE2 GLN A 136 7.115 -2.897 -0.350 1.00 4.63 N ATOM 0 H GLN A 136 3.132 -0.586 3.965 1.00 4.64 H new ATOM 0 HA GLN A 136 5.855 -1.007 2.942 1.00 4.84 H new ATOM 0 HB2 GLN A 136 3.880 -2.079 1.503 1.00 4.04 H new ATOM 0 HB3 GLN A 136 3.628 -0.418 1.004 1.00 4.04 H new ATOM 0 HG2 GLN A 136 5.174 -0.806 -0.577 1.00 4.34 H new ATOM 0 HG3 GLN A 136 6.361 -0.688 0.707 1.00 4.34 H new ATOM 0 HE21 GLN A 136 7.728 -2.103 -0.536 1.00 4.63 H new ATOM 0 HE22 GLN A 136 7.441 -3.847 -0.531 1.00 4.63 H new ATOM 727 N ASN A 137 5.707 1.473 1.903 1.00 6.06 N ATOM 728 CA ASN A 137 5.842 2.923 1.819 1.00 6.90 C ATOM 729 C ASN A 137 5.017 3.481 0.663 1.00 6.54 C ATOM 730 O ASN A 137 4.941 2.875 -0.407 1.00 5.95 O ATOM 731 CB ASN A 137 7.312 3.310 1.644 1.00 7.87 C ATOM 732 CG ASN A 137 8.059 3.354 2.961 1.00 8.40 C ATOM 733 OD1 ASN A 137 7.672 4.070 3.884 1.00 8.92 O ATOM 734 ND2 ASN A 137 9.137 2.585 3.054 1.00 8.47 N ATOM 0 H ASN A 137 6.282 0.958 1.236 1.00 6.06 H new ATOM 0 HA ASN A 137 5.468 3.352 2.749 1.00 6.90 H new ATOM 0 HB2 ASN A 137 7.796 2.595 0.979 1.00 7.87 H new ATOM 0 HB3 ASN A 137 7.373 4.286 1.162 1.00 7.87 H new ATOM 0 HD21 ASN A 137 9.681 2.572 3.917 1.00 8.47 H new ATOM 0 HD22 ASN A 137 9.421 2.007 2.263 1.00 8.47 H new ATOM 741 N LEU A 138 4.400 4.638 0.886 1.00 7.04 N ATOM 742 CA LEU A 138 3.577 5.282 -0.133 1.00 6.90 C ATOM 743 C LEU A 138 4.386 5.551 -1.399 1.00 7.16 C ATOM 744 O LEU A 138 3.931 5.276 -2.509 1.00 6.67 O ATOM 745 CB LEU A 138 2.999 6.592 0.403 1.00 7.77 C ATOM 746 CG LEU A 138 2.049 6.444 1.594 1.00 7.75 C ATOM 747 CD1 LEU A 138 1.954 7.749 2.366 1.00 8.95 C ATOM 748 CD2 LEU A 138 0.672 6.000 1.122 1.00 7.32 C ATOM 0 H LEU A 138 4.455 5.150 1.766 1.00 7.04 H new ATOM 0 HA LEU A 138 2.759 4.606 -0.383 1.00 6.90 H new ATOM 0 HB2 LEU A 138 3.824 7.242 0.695 1.00 7.77 H new ATOM 0 HB3 LEU A 138 2.468 7.094 -0.405 1.00 7.77 H new ATOM 0 HG LEU A 138 2.448 5.680 2.261 1.00 7.75 H new ATOM 0 HD11 LEU A 138 1.274 7.624 3.209 1.00 8.95 H new ATOM 0 HD12 LEU A 138 2.942 8.027 2.734 1.00 8.95 H new ATOM 0 HD13 LEU A 138 1.578 8.534 1.709 1.00 8.95 H new ATOM 0 HD21 LEU A 138 0.008 5.899 1.981 1.00 7.32 H new ATOM 0 HD22 LEU A 138 0.266 6.742 0.435 1.00 7.32 H new ATOM 0 HD23 LEU A 138 0.754 5.040 0.612 1.00 7.32 H new ATOM 760 N SER A 139 5.589 6.090 -1.222 1.00 8.07 N ATOM 761 CA SER A 139 6.464 6.396 -2.349 1.00 8.59 C ATOM 762 C SER A 139 6.933 5.117 -3.035 1.00 8.04 C ATOM 763 O SER A 139 7.442 5.150 -4.156 1.00 8.40 O ATOM 764 CB SER A 139 7.673 7.209 -1.881 1.00 9.76 C ATOM 765 OG SER A 139 7.577 7.516 -0.501 1.00 10.26 O ATOM 0 H SER A 139 5.980 6.324 -0.309 1.00 8.07 H new ATOM 0 HA SER A 139 5.895 6.987 -3.067 1.00 8.59 H new ATOM 0 HB2 SER A 139 8.588 6.647 -2.069 1.00 9.76 H new ATOM 0 HB3 SER A 139 7.741 8.131 -2.458 1.00 9.76 H new ATOM 0 HG SER A 139 8.362 8.034 -0.226 1.00 10.26 H new ATOM 771 N ASP A 140 6.759 3.989 -2.351 1.00 7.28 N ATOM 772 CA ASP A 140 7.162 2.696 -2.890 1.00 6.90 C ATOM 773 C ASP A 140 5.979 1.979 -3.534 1.00 5.82 C ATOM 774 O ASP A 140 6.155 1.012 -4.275 1.00 5.53 O ATOM 775 CB ASP A 140 7.757 1.823 -1.782 1.00 6.97 C ATOM 776 CG ASP A 140 9.162 1.348 -2.105 1.00 7.80 C ATOM 777 OD1 ASP A 140 9.589 1.507 -3.268 1.00 8.30 O ATOM 778 OD2 ASP A 140 9.836 0.820 -1.195 1.00 8.12 O ATOM 0 H ASP A 140 6.341 3.946 -1.422 1.00 7.28 H new ATOM 0 HA ASP A 140 7.918 2.871 -3.656 1.00 6.90 H new ATOM 0 HB2 ASP A 140 7.773 2.387 -0.849 1.00 6.97 H new ATOM 0 HB3 ASP A 140 7.113 0.958 -1.620 1.00 6.97 H new ATOM 783 N LEU A 141 4.774 2.460 -3.244 1.00 5.41 N ATOM 784 CA LEU A 141 3.560 1.864 -3.790 1.00 4.46 C ATOM 785 C LEU A 141 3.519 1.997 -5.308 1.00 4.72 C ATOM 786 O LEU A 141 4.021 2.970 -5.872 1.00 5.47 O ATOM 787 CB LEU A 141 2.322 2.524 -3.179 1.00 4.23 C ATOM 788 CG LEU A 141 1.934 2.017 -1.788 1.00 3.96 C ATOM 789 CD1 LEU A 141 0.779 2.832 -1.228 1.00 4.31 C ATOM 790 CD2 LEU A 141 1.568 0.541 -1.839 1.00 3.01 C ATOM 0 H LEU A 141 4.612 3.261 -2.634 1.00 5.41 H new ATOM 0 HA LEU A 141 3.564 0.804 -3.536 1.00 4.46 H new ATOM 0 HB2 LEU A 141 2.494 3.599 -3.122 1.00 4.23 H new ATOM 0 HB3 LEU A 141 1.479 2.371 -3.852 1.00 4.23 H new ATOM 0 HG LEU A 141 2.793 2.135 -1.128 1.00 3.96 H new ATOM 0 HD11 LEU A 141 0.516 2.458 -0.239 1.00 4.31 H new ATOM 0 HD12 LEU A 141 1.075 3.879 -1.154 1.00 4.31 H new ATOM 0 HD13 LEU A 141 -0.083 2.744 -1.890 1.00 4.31 H new ATOM 0 HD21 LEU A 141 1.295 0.199 -0.841 1.00 3.01 H new ATOM 0 HD22 LEU A 141 0.725 0.398 -2.515 1.00 3.01 H new ATOM 0 HD23 LEU A 141 2.422 -0.033 -2.198 1.00 3.01 H new ATOM 802 N LEU A 142 2.914 1.012 -5.964 1.00 4.30 N ATOM 803 CA LEU A 142 2.799 1.015 -7.417 1.00 4.79 C ATOM 804 C LEU A 142 1.335 1.028 -7.844 1.00 4.37 C ATOM 805 O LEU A 142 0.435 0.926 -7.009 1.00 3.72 O ATOM 806 CB LEU A 142 3.503 -0.208 -8.009 1.00 5.32 C ATOM 807 CG LEU A 142 4.908 -0.475 -7.465 1.00 5.88 C ATOM 808 CD1 LEU A 142 5.300 -1.926 -7.697 1.00 6.01 C ATOM 809 CD2 LEU A 142 5.915 0.462 -8.115 1.00 6.92 C ATOM 0 H LEU A 142 2.495 0.200 -5.511 1.00 4.30 H new ATOM 0 HA LEU A 142 3.279 1.919 -7.793 1.00 4.79 H new ATOM 0 HB2 LEU A 142 2.886 -1.087 -7.825 1.00 5.32 H new ATOM 0 HB3 LEU A 142 3.566 -0.083 -9.090 1.00 5.32 H new ATOM 0 HG LEU A 142 4.906 -0.287 -6.391 1.00 5.88 H new ATOM 0 HD11 LEU A 142 6.302 -2.099 -7.304 1.00 6.01 H new ATOM 0 HD12 LEU A 142 4.592 -2.580 -7.187 1.00 6.01 H new ATOM 0 HD13 LEU A 142 5.287 -2.140 -8.766 1.00 6.01 H new ATOM 0 HD21 LEU A 142 6.910 0.260 -7.718 1.00 6.92 H new ATOM 0 HD22 LEU A 142 5.916 0.304 -9.193 1.00 6.92 H new ATOM 0 HD23 LEU A 142 5.642 1.495 -7.900 1.00 6.92 H new ATOM 821 N SER A 143 1.103 1.155 -9.145 1.00 4.93 N ATOM 822 CA SER A 143 -0.252 1.183 -9.682 1.00 4.89 C ATOM 823 C SER A 143 -0.763 -0.232 -9.949 1.00 5.19 C ATOM 824 O SER A 143 0.028 -1.153 -10.161 1.00 5.64 O ATOM 825 CB SER A 143 -0.289 2.003 -10.974 1.00 5.50 C ATOM 826 OG SER A 143 1.011 2.155 -11.518 1.00 6.07 O ATOM 0 H SER A 143 1.837 1.240 -9.848 1.00 4.93 H new ATOM 0 HA SER A 143 -0.902 1.649 -8.942 1.00 4.89 H new ATOM 0 HB2 SER A 143 -0.936 1.513 -11.701 1.00 5.50 H new ATOM 0 HB3 SER A 143 -0.720 2.984 -10.774 1.00 5.50 H new ATOM 0 HG SER A 143 0.961 2.681 -12.344 1.00 6.07 H new ATOM 832 N PRO A 144 -2.093 -0.426 -9.944 1.00 5.25 N ATOM 833 CA PRO A 144 -2.704 -1.738 -10.190 1.00 5.91 C ATOM 834 C PRO A 144 -2.375 -2.275 -11.578 1.00 6.73 C ATOM 835 O PRO A 144 -2.613 -1.606 -12.585 1.00 7.04 O ATOM 836 CB PRO A 144 -4.209 -1.472 -10.063 1.00 6.05 C ATOM 837 CG PRO A 144 -4.359 -0.003 -10.264 1.00 5.71 C ATOM 838 CD PRO A 144 -3.111 0.614 -9.704 1.00 5.04 C ATOM 0 HA PRO A 144 -2.336 -2.492 -9.494 1.00 5.91 H new ATOM 0 HB2 PRO A 144 -4.773 -2.032 -10.809 1.00 6.05 H new ATOM 0 HB3 PRO A 144 -4.583 -1.777 -9.085 1.00 6.05 H new ATOM 0 HG2 PRO A 144 -4.474 0.238 -11.321 1.00 5.71 H new ATOM 0 HG3 PRO A 144 -5.245 0.373 -9.753 1.00 5.71 H new ATOM 0 HD2 PRO A 144 -2.861 1.548 -10.208 1.00 5.04 H new ATOM 0 HD3 PRO A 144 -3.214 0.842 -8.643 1.00 5.04 H new