USER MOD reduce.3.24.130724 H: found=0, std=0, add=576, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 579 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 NoAdj : A 107 ASNHD21 : A 107 ASN OD1 : A 1 CACA :(metal ligand) USER MOD NoAdj : A 107 ASNHD22 : A 107 ASN OD1 : A 1 CACA :(metal ligand) USER MOD NoAdj : A 143 ASNHD21 : A 143 ASN OD1 : A 2 CACA :(metal ligand) USER MOD NoAdj : A 143 ASNHD22 : A 143 ASN OD1 : A 2 CACA :(metal ligand) USER MOD Set 1.1: A 120 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 157 MET CE :methyl -139:sc= -0.09 (180deg=-1.96!) USER MOD Single : A 86 LYS NZ :NH3+ -148:sc= -0.739 (180deg=-2.71!) USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 LYS NZ :NH3+ -163:sc= -1.49! (180deg=-1.89!) USER MOD Single : A 93 THR OG1 : rot 180:sc= 0.0286 USER MOD Single : A 98 SER OG : rot 180:sc= -1.53! USER MOD Single : A 103 MET CE :methyl -169:sc= -0.891 (180deg=-1.23) USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 111 TYR OH : rot 180:sc= 0 USER MOD Single : A 118 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.114) USER MOD Single : A 122 GLN : amide:sc= -0.228 X(o=-0.23,f=-0.27) USER MOD Single : A 124 THR OG1 : rot -94:sc= -0.856 USER MOD Single : A 127 THR OG1 : rot 180:sc= 0 USER MOD Single : A 129 THR OG1 : rot 180:sc= 0 USER MOD Single : A 137 MET CE :methyl -167:sc= -2.54 (180deg=-3.19!) USER MOD Single : A 138 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 142 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 144 ASN : amide:sc= -0.295 X(o=-0.29,f=0) USER MOD Single : A 150 TYR OH : rot -67:sc= 0.131 USER MOD Single : A 158 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 86 54.216 -25.049 -2.828 1.00 7.24 N ATOM 2 CA LYS A 86 54.143 -24.260 -1.563 1.00 7.10 C ATOM 3 C LYS A 86 52.760 -23.617 -1.421 1.00 6.94 C ATOM 4 O LYS A 86 51.939 -23.685 -2.313 1.00 7.49 O ATOM 5 CB LYS A 86 55.221 -23.184 -1.703 1.00 7.61 C ATOM 6 CG LYS A 86 56.583 -23.771 -1.325 1.00 8.01 C ATOM 7 CD LYS A 86 57.665 -23.171 -2.226 1.00 8.72 C ATOM 8 CE LYS A 86 58.248 -21.921 -1.562 1.00 9.14 C ATOM 9 NZ LYS A 86 57.141 -20.925 -1.578 1.00 9.95 N ATOM 0 HA LYS A 86 54.299 -24.880 -0.680 1.00 7.10 H new ATOM 0 HB2 LYS A 86 55.246 -22.811 -2.727 1.00 7.61 H new ATOM 0 HB3 LYS A 86 54.988 -22.335 -1.060 1.00 7.61 H new ATOM 0 HG2 LYS A 86 56.806 -23.557 -0.280 1.00 8.01 H new ATOM 0 HG3 LYS A 86 56.566 -24.856 -1.432 1.00 8.01 H new ATOM 0 HD2 LYS A 86 58.453 -23.903 -2.402 1.00 8.72 H new ATOM 0 HD3 LYS A 86 57.243 -22.916 -3.198 1.00 8.72 H new ATOM 0 HE2 LYS A 86 58.575 -22.131 -0.544 1.00 9.14 H new ATOM 0 HE3 LYS A 86 59.118 -21.554 -2.107 1.00 9.14 H new ATOM 0 HZ1 LYS A 86 57.537 -19.968 -1.670 1.00 9.95 H new ATOM 0 HZ2 LYS A 86 56.512 -21.118 -2.383 1.00 9.95 H new ATOM 0 HZ3 LYS A 86 56.600 -20.993 -0.692 1.00 9.95 H new ATOM 25 N ASP A 87 52.498 -22.993 -0.305 1.00 6.50 N ATOM 26 CA ASP A 87 51.169 -22.344 -0.110 1.00 6.70 C ATOM 27 C ASP A 87 51.247 -21.310 1.017 1.00 6.03 C ATOM 28 O ASP A 87 50.946 -20.148 0.827 1.00 6.49 O ATOM 29 CB ASP A 87 50.222 -23.483 0.272 1.00 7.25 C ATOM 30 CG ASP A 87 48.856 -23.251 -0.378 1.00 7.77 C ATOM 31 OD1 ASP A 87 48.475 -22.100 -0.512 1.00 8.06 O ATOM 32 OD2 ASP A 87 48.216 -24.229 -0.730 1.00 8.12 O ATOM 0 H ASP A 87 53.145 -22.904 0.479 1.00 6.50 H new ATOM 0 HA ASP A 87 50.832 -21.817 -1.003 1.00 6.70 H new ATOM 0 HB2 ASP A 87 50.634 -24.438 -0.054 1.00 7.25 H new ATOM 0 HB3 ASP A 87 50.117 -23.535 1.356 1.00 7.25 H new ATOM 37 N ASP A 88 51.650 -21.722 2.188 1.00 5.23 N ATOM 38 CA ASP A 88 51.750 -20.761 3.323 1.00 5.00 C ATOM 39 C ASP A 88 53.189 -20.711 3.843 1.00 4.51 C ATOM 40 O ASP A 88 53.455 -20.204 4.915 1.00 4.82 O ATOM 41 CB ASP A 88 50.812 -21.314 4.396 1.00 5.14 C ATOM 42 CG ASP A 88 49.381 -21.347 3.854 1.00 5.52 C ATOM 43 OD1 ASP A 88 49.117 -20.646 2.890 1.00 5.85 O ATOM 44 OD2 ASP A 88 48.574 -22.073 4.411 1.00 5.82 O ATOM 0 H ASP A 88 51.914 -22.682 2.408 1.00 5.23 H new ATOM 0 HA ASP A 88 51.480 -19.746 3.031 1.00 5.00 H new ATOM 0 HB2 ASP A 88 51.125 -22.317 4.687 1.00 5.14 H new ATOM 0 HB3 ASP A 88 50.859 -20.693 5.291 1.00 5.14 H new ATOM 49 N SER A 89 54.118 -21.234 3.090 1.00 4.24 N ATOM 50 CA SER A 89 55.540 -21.217 3.541 1.00 4.26 C ATOM 51 C SER A 89 56.359 -20.259 2.673 1.00 3.50 C ATOM 52 O SER A 89 57.463 -20.563 2.267 1.00 3.81 O ATOM 53 CB SER A 89 56.028 -22.653 3.361 1.00 5.08 C ATOM 54 OG SER A 89 54.913 -23.533 3.364 1.00 5.76 O ATOM 0 H SER A 89 53.955 -21.672 2.183 1.00 4.24 H new ATOM 0 HA SER A 89 55.643 -20.877 4.572 1.00 4.26 H new ATOM 0 HB2 SER A 89 56.578 -22.748 2.424 1.00 5.08 H new ATOM 0 HB3 SER A 89 56.717 -22.918 4.163 1.00 5.08 H new ATOM 0 HG SER A 89 55.224 -24.455 3.247 1.00 5.76 H new ATOM 60 N LYS A 90 55.827 -19.103 2.385 1.00 3.10 N ATOM 61 CA LYS A 90 56.577 -18.128 1.544 1.00 3.08 C ATOM 62 C LYS A 90 57.692 -17.472 2.364 1.00 2.72 C ATOM 63 O LYS A 90 57.545 -17.231 3.546 1.00 3.21 O ATOM 64 CB LYS A 90 55.538 -17.089 1.122 1.00 3.94 C ATOM 65 CG LYS A 90 56.131 -16.178 0.044 1.00 4.74 C ATOM 66 CD LYS A 90 55.096 -15.950 -1.058 1.00 5.61 C ATOM 67 CE LYS A 90 53.883 -15.221 -0.477 1.00 6.53 C ATOM 68 NZ LYS A 90 54.210 -13.772 -0.604 1.00 7.32 N ATOM 0 H LYS A 90 54.907 -18.792 2.695 1.00 3.10 H new ATOM 0 HA LYS A 90 57.052 -18.601 0.685 1.00 3.08 H new ATOM 0 HB2 LYS A 90 54.646 -17.586 0.742 1.00 3.94 H new ATOM 0 HB3 LYS A 90 55.230 -16.497 1.984 1.00 3.94 H new ATOM 0 HG2 LYS A 90 56.428 -15.225 0.482 1.00 4.74 H new ATOM 0 HG3 LYS A 90 57.030 -16.630 -0.375 1.00 4.74 H new ATOM 0 HD2 LYS A 90 55.533 -15.364 -1.866 1.00 5.61 H new ATOM 0 HD3 LYS A 90 54.789 -16.904 -1.486 1.00 5.61 H new ATOM 0 HE2 LYS A 90 52.973 -15.470 -1.023 1.00 6.53 H new ATOM 0 HE3 LYS A 90 53.716 -15.499 0.564 1.00 6.53 H new ATOM 0 HZ1 LYS A 90 53.425 -13.204 -0.226 1.00 7.32 H new ATOM 0 HZ2 LYS A 90 55.077 -13.564 -0.069 1.00 7.32 H new ATOM 0 HZ3 LYS A 90 54.357 -13.536 -1.606 1.00 7.32 H new ATOM 82 N GLY A 91 58.804 -17.183 1.746 1.00 2.57 N ATOM 83 CA GLY A 91 59.927 -16.545 2.489 1.00 2.96 C ATOM 84 C GLY A 91 60.584 -15.487 1.602 1.00 2.68 C ATOM 85 O GLY A 91 60.954 -15.753 0.475 1.00 2.94 O ATOM 0 H GLY A 91 58.984 -17.361 0.758 1.00 2.57 H new ATOM 0 HA2 GLY A 91 59.558 -16.088 3.407 1.00 2.96 H new ATOM 0 HA3 GLY A 91 60.660 -17.298 2.780 1.00 2.96 H new ATOM 89 N LYS A 92 60.733 -14.290 2.098 1.00 2.54 N ATOM 90 CA LYS A 92 61.364 -13.218 1.276 1.00 2.34 C ATOM 91 C LYS A 92 62.816 -13.003 1.709 1.00 2.22 C ATOM 92 O LYS A 92 63.089 -12.416 2.739 1.00 2.57 O ATOM 93 CB LYS A 92 60.529 -11.968 1.550 1.00 2.51 C ATOM 94 CG LYS A 92 60.679 -10.990 0.384 1.00 2.46 C ATOM 95 CD LYS A 92 59.298 -10.649 -0.178 1.00 2.69 C ATOM 96 CE LYS A 92 58.822 -9.317 0.404 1.00 2.82 C ATOM 97 NZ LYS A 92 57.634 -8.944 -0.412 1.00 3.39 N ATOM 0 H LYS A 92 60.446 -14.007 3.035 1.00 2.54 H new ATOM 0 HA LYS A 92 61.386 -13.469 0.215 1.00 2.34 H new ATOM 0 HB2 LYS A 92 59.481 -12.239 1.679 1.00 2.51 H new ATOM 0 HB3 LYS A 92 60.853 -11.497 2.478 1.00 2.51 H new ATOM 0 HG2 LYS A 92 61.181 -10.082 0.719 1.00 2.46 H new ATOM 0 HG3 LYS A 92 61.302 -11.429 -0.395 1.00 2.46 H new ATOM 0 HD2 LYS A 92 59.342 -10.587 -1.265 1.00 2.69 H new ATOM 0 HD3 LYS A 92 58.589 -11.439 0.068 1.00 2.69 H new ATOM 0 HE2 LYS A 92 58.562 -9.417 1.458 1.00 2.82 H new ATOM 0 HE3 LYS A 92 59.600 -8.557 0.339 1.00 2.82 H new ATOM 0 HZ1 LYS A 92 57.425 -7.934 -0.279 1.00 3.39 H new ATOM 0 HZ2 LYS A 92 57.831 -9.127 -1.417 1.00 3.39 H new ATOM 0 HZ3 LYS A 92 56.815 -9.510 -0.111 1.00 3.39 H new ATOM 111 N THR A 93 63.752 -13.471 0.928 1.00 1.93 N ATOM 112 CA THR A 93 65.187 -13.291 1.292 1.00 1.88 C ATOM 113 C THR A 93 65.730 -11.999 0.677 1.00 1.62 C ATOM 114 O THR A 93 64.991 -11.200 0.136 1.00 1.47 O ATOM 115 CB THR A 93 65.903 -14.506 0.698 1.00 1.99 C ATOM 116 OG1 THR A 93 65.604 -14.597 -0.688 1.00 2.05 O ATOM 117 CG2 THR A 93 65.432 -15.776 1.407 1.00 2.53 C ATOM 0 H THR A 93 63.585 -13.970 0.054 1.00 1.93 H new ATOM 0 HA THR A 93 65.332 -13.218 2.370 1.00 1.88 H new ATOM 0 HB THR A 93 66.979 -14.396 0.833 1.00 1.99 H new ATOM 0 HG1 THR A 93 66.063 -15.373 -1.071 1.00 2.05 H new ATOM 0 HG21 THR A 93 65.943 -16.640 0.983 1.00 2.53 H new ATOM 0 HG22 THR A 93 65.661 -15.705 2.470 1.00 2.53 H new ATOM 0 HG23 THR A 93 64.356 -15.889 1.274 1.00 2.53 H new ATOM 125 N GLU A 94 67.015 -11.788 0.753 1.00 1.64 N ATOM 126 CA GLU A 94 67.602 -10.548 0.171 1.00 1.49 C ATOM 127 C GLU A 94 67.528 -10.597 -1.358 1.00 1.41 C ATOM 128 O GLU A 94 67.758 -9.612 -2.032 1.00 1.36 O ATOM 129 CB GLU A 94 69.058 -10.543 0.639 1.00 1.64 C ATOM 130 CG GLU A 94 69.833 -11.648 -0.081 1.00 1.85 C ATOM 131 CD GLU A 94 71.331 -11.469 0.170 1.00 2.27 C ATOM 132 OE1 GLU A 94 71.907 -10.569 -0.416 1.00 2.65 O ATOM 133 OE2 GLU A 94 71.877 -12.237 0.947 1.00 2.83 O ATOM 0 H GLU A 94 67.684 -12.420 1.193 1.00 1.64 H new ATOM 0 HA GLU A 94 67.070 -9.650 0.486 1.00 1.49 H new ATOM 0 HB2 GLU A 94 69.513 -9.574 0.435 1.00 1.64 H new ATOM 0 HB3 GLU A 94 69.104 -10.696 1.717 1.00 1.64 H new ATOM 0 HG2 GLU A 94 69.508 -12.626 0.275 1.00 1.85 H new ATOM 0 HG3 GLU A 94 69.626 -11.614 -1.151 1.00 1.85 H new ATOM 140 N GLU A 95 67.209 -11.736 -1.911 1.00 1.47 N ATOM 141 CA GLU A 95 67.121 -11.846 -3.396 1.00 1.49 C ATOM 142 C GLU A 95 65.768 -11.327 -3.887 1.00 1.39 C ATOM 143 O GLU A 95 65.656 -10.777 -4.963 1.00 1.40 O ATOM 144 CB GLU A 95 67.260 -13.339 -3.692 1.00 1.68 C ATOM 145 CG GLU A 95 68.164 -13.536 -4.910 1.00 2.03 C ATOM 146 CD GLU A 95 68.627 -14.992 -4.975 1.00 2.24 C ATOM 147 OE1 GLU A 95 69.586 -15.319 -4.295 1.00 2.72 O ATOM 148 OE2 GLU A 95 68.015 -15.755 -5.702 1.00 2.56 O ATOM 0 H GLU A 95 67.006 -12.595 -1.399 1.00 1.47 H new ATOM 0 HA GLU A 95 67.888 -11.257 -3.898 1.00 1.49 H new ATOM 0 HB2 GLU A 95 67.679 -13.854 -2.828 1.00 1.68 H new ATOM 0 HB3 GLU A 95 66.279 -13.776 -3.879 1.00 1.68 H new ATOM 0 HG2 GLU A 95 67.626 -13.274 -5.821 1.00 2.03 H new ATOM 0 HG3 GLU A 95 69.026 -12.872 -4.847 1.00 2.03 H new ATOM 155 N GLU A 96 64.737 -11.498 -3.104 1.00 1.38 N ATOM 156 CA GLU A 96 63.393 -11.014 -3.526 1.00 1.34 C ATOM 157 C GLU A 96 63.209 -9.548 -3.126 1.00 1.16 C ATOM 158 O GLU A 96 62.537 -8.791 -3.797 1.00 1.07 O ATOM 159 CB GLU A 96 62.399 -11.905 -2.782 1.00 1.51 C ATOM 160 CG GLU A 96 62.178 -13.194 -3.574 1.00 2.07 C ATOM 161 CD GLU A 96 61.832 -14.333 -2.612 1.00 2.19 C ATOM 162 OE1 GLU A 96 60.894 -14.171 -1.849 1.00 2.60 O ATOM 163 OE2 GLU A 96 62.509 -15.346 -2.658 1.00 2.61 O ATOM 0 H GLU A 96 64.768 -11.952 -2.191 1.00 1.38 H new ATOM 0 HA GLU A 96 63.255 -11.066 -4.606 1.00 1.34 H new ATOM 0 HB2 GLU A 96 62.777 -12.138 -1.786 1.00 1.51 H new ATOM 0 HB3 GLU A 96 61.453 -11.380 -2.649 1.00 1.51 H new ATOM 0 HG2 GLU A 96 61.373 -13.056 -4.295 1.00 2.07 H new ATOM 0 HG3 GLU A 96 63.075 -13.443 -4.141 1.00 2.07 H new ATOM 170 N LEU A 97 63.802 -9.143 -2.036 1.00 1.14 N ATOM 171 CA LEU A 97 63.663 -7.724 -1.594 1.00 0.99 C ATOM 172 C LEU A 97 64.262 -6.784 -2.642 1.00 0.82 C ATOM 173 O LEU A 97 63.868 -5.641 -2.764 1.00 0.70 O ATOM 174 CB LEU A 97 64.450 -7.638 -0.286 1.00 1.03 C ATOM 175 CG LEU A 97 63.481 -7.463 0.884 1.00 1.31 C ATOM 176 CD1 LEU A 97 63.761 -8.532 1.942 1.00 1.57 C ATOM 177 CD2 LEU A 97 63.673 -6.076 1.502 1.00 1.71 C ATOM 0 H LEU A 97 64.376 -9.732 -1.432 1.00 1.14 H new ATOM 0 HA LEU A 97 62.621 -7.432 -1.463 1.00 0.99 H new ATOM 0 HB2 LEU A 97 65.044 -8.541 -0.147 1.00 1.03 H new ATOM 0 HB3 LEU A 97 65.147 -6.800 -0.323 1.00 1.03 H new ATOM 0 HG LEU A 97 62.457 -7.564 0.525 1.00 1.31 H new ATOM 0 HD11 LEU A 97 63.071 -8.408 2.776 1.00 1.57 H new ATOM 0 HD12 LEU A 97 63.627 -9.521 1.504 1.00 1.57 H new ATOM 0 HD13 LEU A 97 64.785 -8.430 2.300 1.00 1.57 H new ATOM 0 HD21 LEU A 97 62.983 -5.951 2.336 1.00 1.71 H new ATOM 0 HD22 LEU A 97 64.697 -5.976 1.861 1.00 1.71 H new ATOM 0 HD23 LEU A 97 63.476 -5.312 0.750 1.00 1.71 H new ATOM 189 N SER A 98 65.215 -7.257 -3.396 1.00 0.87 N ATOM 190 CA SER A 98 65.843 -6.391 -4.434 1.00 0.78 C ATOM 191 C SER A 98 64.833 -6.068 -5.538 1.00 0.75 C ATOM 192 O SER A 98 64.710 -4.937 -5.968 1.00 0.74 O ATOM 193 CB SER A 98 66.998 -7.220 -4.992 1.00 0.93 C ATOM 194 OG SER A 98 66.594 -8.579 -5.091 1.00 1.41 O ATOM 0 H SER A 98 65.586 -8.205 -3.339 1.00 0.87 H new ATOM 0 HA SER A 98 66.182 -5.438 -4.027 1.00 0.78 H new ATOM 0 HB2 SER A 98 67.291 -6.843 -5.972 1.00 0.93 H new ATOM 0 HB3 SER A 98 67.870 -7.134 -4.343 1.00 0.93 H new ATOM 0 HG SER A 98 67.332 -9.114 -5.450 1.00 1.41 H new ATOM 200 N ASP A 99 64.110 -7.051 -5.999 1.00 0.80 N ATOM 201 CA ASP A 99 63.109 -6.797 -7.075 1.00 0.82 C ATOM 202 C ASP A 99 62.015 -5.854 -6.566 1.00 0.77 C ATOM 203 O ASP A 99 61.245 -5.312 -7.332 1.00 0.77 O ATOM 204 CB ASP A 99 62.524 -8.170 -7.408 1.00 0.93 C ATOM 205 CG ASP A 99 63.402 -8.859 -8.455 1.00 1.45 C ATOM 206 OD1 ASP A 99 64.325 -9.552 -8.064 1.00 2.18 O ATOM 207 OD2 ASP A 99 63.134 -8.683 -9.633 1.00 1.92 O ATOM 0 H ASP A 99 64.168 -8.018 -5.678 1.00 0.80 H new ATOM 0 HA ASP A 99 63.555 -6.324 -7.950 1.00 0.82 H new ATOM 0 HB2 ASP A 99 62.467 -8.781 -6.507 1.00 0.93 H new ATOM 0 HB3 ASP A 99 61.507 -8.062 -7.785 1.00 0.93 H new ATOM 212 N LEU A 100 61.941 -5.654 -5.280 1.00 0.77 N ATOM 213 CA LEU A 100 60.896 -4.746 -4.728 1.00 0.77 C ATOM 214 C LEU A 100 61.318 -3.285 -4.909 1.00 0.64 C ATOM 215 O LEU A 100 60.497 -2.414 -5.117 1.00 0.64 O ATOM 216 CB LEU A 100 60.808 -5.100 -3.243 1.00 0.85 C ATOM 217 CG LEU A 100 59.824 -6.255 -3.051 1.00 1.16 C ATOM 218 CD1 LEU A 100 59.700 -6.577 -1.561 1.00 1.54 C ATOM 219 CD2 LEU A 100 58.453 -5.853 -3.600 1.00 1.57 C ATOM 0 H LEU A 100 62.558 -6.079 -4.588 1.00 0.77 H new ATOM 0 HA LEU A 100 59.937 -4.864 -5.232 1.00 0.77 H new ATOM 0 HB2 LEU A 100 61.792 -5.380 -2.866 1.00 0.85 H new ATOM 0 HB3 LEU A 100 60.482 -4.232 -2.670 1.00 0.85 H new ATOM 0 HG LEU A 100 60.187 -7.134 -3.584 1.00 1.16 H new ATOM 0 HD11 LEU A 100 58.999 -7.400 -1.424 1.00 1.54 H new ATOM 0 HD12 LEU A 100 60.676 -6.862 -1.168 1.00 1.54 H new ATOM 0 HD13 LEU A 100 59.337 -5.698 -1.028 1.00 1.54 H new ATOM 0 HD21 LEU A 100 57.751 -6.676 -3.464 1.00 1.57 H new ATOM 0 HD22 LEU A 100 58.091 -4.974 -3.066 1.00 1.57 H new ATOM 0 HD23 LEU A 100 58.540 -5.622 -4.662 1.00 1.57 H new ATOM 231 N PHE A 101 62.592 -3.011 -4.832 1.00 0.60 N ATOM 232 CA PHE A 101 63.068 -1.606 -4.998 1.00 0.53 C ATOM 233 C PHE A 101 62.835 -1.130 -6.434 1.00 0.49 C ATOM 234 O PHE A 101 62.353 -0.040 -6.666 1.00 0.61 O ATOM 235 CB PHE A 101 64.566 -1.662 -4.691 1.00 0.57 C ATOM 236 CG PHE A 101 65.129 -0.261 -4.644 1.00 0.46 C ATOM 237 CD1 PHE A 101 65.165 0.520 -5.807 1.00 1.23 C ATOM 238 CD2 PHE A 101 65.622 0.256 -3.440 1.00 1.31 C ATOM 239 CE1 PHE A 101 65.690 1.817 -5.763 1.00 1.23 C ATOM 240 CE2 PHE A 101 66.147 1.553 -3.397 1.00 1.30 C ATOM 241 CZ PHE A 101 66.181 2.333 -4.559 1.00 0.40 C ATOM 0 H PHE A 101 63.325 -3.699 -4.661 1.00 0.60 H new ATOM 0 HA PHE A 101 62.539 -0.911 -4.346 1.00 0.53 H new ATOM 0 HB2 PHE A 101 64.733 -2.164 -3.738 1.00 0.57 H new ATOM 0 HB3 PHE A 101 65.082 -2.246 -5.453 1.00 0.57 H new ATOM 0 HD1 PHE A 101 64.788 0.121 -6.737 1.00 1.23 H new ATOM 0 HD2 PHE A 101 65.597 -0.346 -2.544 1.00 1.31 H new ATOM 0 HE1 PHE A 101 65.716 2.419 -6.659 1.00 1.23 H new ATOM 0 HE2 PHE A 101 66.526 1.952 -2.468 1.00 1.30 H new ATOM 0 HZ PHE A 101 66.586 3.333 -4.526 1.00 0.40 H new ATOM 251 N ARG A 102 63.182 -1.936 -7.401 1.00 0.53 N ATOM 252 CA ARG A 102 62.988 -1.526 -8.821 1.00 0.70 C ATOM 253 C ARG A 102 61.514 -1.653 -9.222 1.00 0.80 C ATOM 254 O ARG A 102 61.069 -1.047 -10.176 1.00 1.09 O ATOM 255 CB ARG A 102 63.848 -2.496 -9.632 1.00 0.87 C ATOM 256 CG ARG A 102 63.285 -3.913 -9.499 1.00 1.28 C ATOM 257 CD ARG A 102 64.098 -4.870 -10.374 1.00 1.83 C ATOM 258 NE ARG A 102 63.085 -5.616 -11.171 1.00 2.26 N ATOM 259 CZ ARG A 102 63.064 -5.502 -12.471 1.00 2.89 C ATOM 260 NH1 ARG A 102 62.859 -4.335 -13.019 1.00 3.68 N ATOM 261 NH2 ARG A 102 63.248 -6.554 -13.223 1.00 3.22 N ATOM 0 H ARG A 102 63.591 -2.861 -7.269 1.00 0.53 H new ATOM 0 HA ARG A 102 63.270 -0.487 -8.989 1.00 0.70 H new ATOM 0 HB2 ARG A 102 63.863 -2.196 -10.680 1.00 0.87 H new ATOM 0 HB3 ARG A 102 64.878 -2.468 -9.278 1.00 0.87 H new ATOM 0 HG2 ARG A 102 63.323 -4.234 -8.458 1.00 1.28 H new ATOM 0 HG3 ARG A 102 62.238 -3.929 -9.800 1.00 1.28 H new ATOM 0 HD2 ARG A 102 64.786 -4.326 -11.020 1.00 1.83 H new ATOM 0 HD3 ARG A 102 64.699 -5.547 -9.766 1.00 1.83 H new ATOM 0 HE ARG A 102 62.407 -6.216 -10.701 1.00 2.26 H new ATOM 0 HH11 ARG A 102 62.716 -3.514 -12.431 1.00 3.68 H new ATOM 0 HH12 ARG A 102 62.842 -4.244 -14.035 1.00 3.68 H new ATOM 0 HH21 ARG A 102 63.408 -7.466 -12.794 1.00 3.22 H new ATOM 0 HH22 ARG A 102 63.231 -6.464 -14.239 1.00 3.22 H new ATOM 275 N MET A 103 60.755 -2.436 -8.505 1.00 0.68 N ATOM 276 CA MET A 103 59.315 -2.596 -8.856 1.00 0.81 C ATOM 277 C MET A 103 58.463 -1.559 -8.118 1.00 0.79 C ATOM 278 O MET A 103 57.280 -1.429 -8.361 1.00 0.90 O ATOM 279 CB MET A 103 58.951 -4.010 -8.404 1.00 0.91 C ATOM 280 CG MET A 103 59.395 -5.018 -9.466 1.00 1.35 C ATOM 281 SD MET A 103 58.247 -6.417 -9.485 1.00 1.92 S ATOM 282 CE MET A 103 58.600 -7.023 -7.815 1.00 1.63 C ATOM 0 H MET A 103 61.068 -2.970 -7.694 1.00 0.68 H new ATOM 0 HA MET A 103 59.135 -2.448 -9.921 1.00 0.81 H new ATOM 0 HB2 MET A 103 59.432 -4.234 -7.452 1.00 0.91 H new ATOM 0 HB3 MET A 103 57.876 -4.086 -8.243 1.00 0.91 H new ATOM 0 HG2 MET A 103 59.422 -4.542 -10.446 1.00 1.35 H new ATOM 0 HG3 MET A 103 60.406 -5.366 -9.253 1.00 1.35 H new ATOM 0 HE1 MET A 103 58.143 -8.003 -7.679 1.00 1.63 H new ATOM 0 HE2 MET A 103 59.678 -7.103 -7.677 1.00 1.63 H new ATOM 0 HE3 MET A 103 58.192 -6.328 -7.082 1.00 1.63 H new ATOM 292 N PHE A 104 59.052 -0.820 -7.217 1.00 0.71 N ATOM 293 CA PHE A 104 58.266 0.203 -6.468 1.00 0.75 C ATOM 294 C PHE A 104 58.834 1.605 -6.714 1.00 0.68 C ATOM 295 O PHE A 104 58.218 2.599 -6.384 1.00 0.80 O ATOM 296 CB PHE A 104 58.407 -0.184 -4.995 1.00 0.76 C ATOM 297 CG PHE A 104 57.275 -1.105 -4.606 1.00 1.03 C ATOM 298 CD1 PHE A 104 55.949 -0.682 -4.750 1.00 1.67 C ATOM 299 CD2 PHE A 104 57.551 -2.382 -4.103 1.00 1.71 C ATOM 300 CE1 PHE A 104 54.898 -1.533 -4.390 1.00 1.90 C ATOM 301 CE2 PHE A 104 56.500 -3.234 -3.743 1.00 2.03 C ATOM 302 CZ PHE A 104 55.174 -2.810 -3.887 1.00 1.76 C ATOM 0 H PHE A 104 60.039 -0.880 -6.968 1.00 0.71 H new ATOM 0 HA PHE A 104 57.223 0.228 -6.785 1.00 0.75 H new ATOM 0 HB2 PHE A 104 59.365 -0.677 -4.827 1.00 0.76 H new ATOM 0 HB3 PHE A 104 58.394 0.709 -4.370 1.00 0.76 H new ATOM 0 HD1 PHE A 104 55.736 0.303 -5.140 1.00 1.67 H new ATOM 0 HD2 PHE A 104 58.574 -2.710 -3.993 1.00 1.71 H new ATOM 0 HE1 PHE A 104 53.875 -1.205 -4.500 1.00 1.90 H new ATOM 0 HE2 PHE A 104 56.713 -4.219 -3.354 1.00 2.03 H new ATOM 0 HZ PHE A 104 54.364 -3.468 -3.610 1.00 1.76 H new ATOM 312 N ASP A 105 60.001 1.696 -7.293 1.00 0.58 N ATOM 313 CA ASP A 105 60.596 3.040 -7.555 1.00 0.52 C ATOM 314 C ASP A 105 59.682 3.853 -8.477 1.00 0.52 C ATOM 315 O ASP A 105 59.822 3.828 -9.684 1.00 0.60 O ATOM 316 CB ASP A 105 61.937 2.757 -8.236 1.00 0.60 C ATOM 317 CG ASP A 105 62.793 4.026 -8.227 1.00 0.51 C ATOM 318 OD1 ASP A 105 62.328 5.028 -7.708 1.00 0.48 O ATOM 319 OD2 ASP A 105 63.900 3.976 -8.741 1.00 0.54 O ATOM 0 H ASP A 105 60.566 0.903 -7.595 1.00 0.58 H new ATOM 0 HA ASP A 105 60.721 3.621 -6.641 1.00 0.52 H new ATOM 0 HB2 ASP A 105 62.457 1.951 -7.718 1.00 0.60 H new ATOM 0 HB3 ASP A 105 61.773 2.423 -9.261 1.00 0.60 H new ATOM 324 N LYS A 106 58.747 4.573 -7.919 1.00 0.51 N ATOM 325 CA LYS A 106 57.828 5.385 -8.767 1.00 0.60 C ATOM 326 C LYS A 106 58.619 6.443 -9.539 1.00 0.59 C ATOM 327 O LYS A 106 58.328 6.739 -10.680 1.00 0.70 O ATOM 328 CB LYS A 106 56.861 6.050 -7.788 1.00 0.63 C ATOM 329 CG LYS A 106 55.532 6.329 -8.495 1.00 1.39 C ATOM 330 CD LYS A 106 54.658 5.075 -8.452 1.00 1.58 C ATOM 331 CE LYS A 106 54.960 4.202 -9.671 1.00 2.00 C ATOM 332 NZ LYS A 106 53.630 3.912 -10.276 1.00 2.79 N ATOM 0 H LYS A 106 58.580 4.634 -6.915 1.00 0.51 H new ATOM 0 HA LYS A 106 57.304 4.776 -9.504 1.00 0.60 H new ATOM 0 HB2 LYS A 106 56.698 5.404 -6.926 1.00 0.63 H new ATOM 0 HB3 LYS A 106 57.288 6.980 -7.413 1.00 0.63 H new ATOM 0 HG2 LYS A 106 55.018 7.160 -8.012 1.00 1.39 H new ATOM 0 HG3 LYS A 106 55.713 6.624 -9.529 1.00 1.39 H new ATOM 0 HD2 LYS A 106 54.849 4.517 -7.535 1.00 1.58 H new ATOM 0 HD3 LYS A 106 53.604 5.353 -8.442 1.00 1.58 H new ATOM 0 HE2 LYS A 106 55.610 4.720 -10.376 1.00 2.00 H new ATOM 0 HE3 LYS A 106 55.471 3.284 -9.382 1.00 2.00 H new ATOM 0 HZ1 LYS A 106 53.755 3.316 -11.119 1.00 2.79 H new ATOM 0 HZ2 LYS A 106 53.035 3.413 -9.584 1.00 2.79 H new ATOM 0 HZ3 LYS A 106 53.170 4.804 -10.548 1.00 2.79 H new ATOM 346 N ASN A 107 59.620 7.015 -8.926 1.00 0.53 N ATOM 347 CA ASN A 107 60.425 8.050 -9.636 1.00 0.59 C ATOM 348 C ASN A 107 61.409 7.379 -10.599 1.00 0.60 C ATOM 349 O ASN A 107 61.929 7.999 -11.504 1.00 0.71 O ATOM 350 CB ASN A 107 61.172 8.798 -8.532 1.00 0.62 C ATOM 351 CG ASN A 107 62.259 9.678 -9.153 1.00 1.10 C ATOM 352 OD1 ASN A 107 63.320 9.842 -8.586 1.00 1.50 O ATOM 353 ND2 ASN A 107 62.037 10.258 -10.301 1.00 1.67 N ATOM 0 H ASN A 107 59.914 6.812 -7.971 1.00 0.53 H new ATOM 0 HA ASN A 107 59.807 8.722 -10.231 1.00 0.59 H new ATOM 0 HB2 ASN A 107 60.476 9.412 -7.960 1.00 0.62 H new ATOM 0 HB3 ASN A 107 61.618 8.088 -7.836 1.00 0.62 H new ATOM 0 HD21 ASN A 107 62.755 10.849 -10.721 1.00 1.67 H new ATOM 0 HD22 ASN A 107 61.146 10.121 -10.778 1.00 1.67 H new ATOM 360 N ALA A 108 61.661 6.112 -10.409 1.00 0.56 N ATOM 361 CA ALA A 108 62.605 5.390 -11.311 1.00 0.62 C ATOM 362 C ALA A 108 63.886 6.204 -11.510 1.00 0.64 C ATOM 363 O ALA A 108 64.165 6.685 -12.590 1.00 0.78 O ATOM 364 CB ALA A 108 61.855 5.244 -12.635 1.00 0.72 C ATOM 0 H ALA A 108 61.253 5.544 -9.666 1.00 0.56 H new ATOM 0 HA ALA A 108 62.905 4.426 -10.901 1.00 0.62 H new ATOM 0 HB1 ALA A 108 62.485 4.721 -13.354 1.00 0.72 H new ATOM 0 HB2 ALA A 108 60.939 4.675 -12.474 1.00 0.72 H new ATOM 0 HB3 ALA A 108 61.605 6.232 -13.022 1.00 0.72 H new ATOM 370 N ASP A 109 64.669 6.359 -10.478 1.00 0.57 N ATOM 371 CA ASP A 109 65.932 7.141 -10.614 1.00 0.63 C ATOM 372 C ASP A 109 67.061 6.473 -9.821 1.00 0.63 C ATOM 373 O ASP A 109 68.146 7.006 -9.704 1.00 0.76 O ATOM 374 CB ASP A 109 65.611 8.517 -10.032 1.00 0.62 C ATOM 375 CG ASP A 109 65.459 8.405 -8.514 1.00 0.70 C ATOM 376 OD1 ASP A 109 65.179 7.315 -8.046 1.00 0.75 O ATOM 377 OD2 ASP A 109 65.627 9.412 -7.846 1.00 1.20 O ATOM 0 H ASP A 109 64.490 5.979 -9.548 1.00 0.57 H new ATOM 0 HA ASP A 109 66.267 7.203 -11.649 1.00 0.63 H new ATOM 0 HB2 ASP A 109 66.405 9.222 -10.278 1.00 0.62 H new ATOM 0 HB3 ASP A 109 64.693 8.905 -10.473 1.00 0.62 H new ATOM 382 N GLY A 110 66.816 5.311 -9.275 1.00 0.58 N ATOM 383 CA GLY A 110 67.879 4.619 -8.492 1.00 0.62 C ATOM 384 C GLY A 110 67.566 4.725 -7.000 1.00 0.54 C ATOM 385 O GLY A 110 67.708 3.775 -6.257 1.00 0.57 O ATOM 0 H GLY A 110 65.928 4.813 -9.338 1.00 0.58 H new ATOM 0 HA2 GLY A 110 67.940 3.572 -8.788 1.00 0.62 H new ATOM 0 HA3 GLY A 110 68.850 5.067 -8.703 1.00 0.62 H new ATOM 389 N TYR A 111 67.142 5.875 -6.555 1.00 0.50 N ATOM 390 CA TYR A 111 66.818 6.043 -5.108 1.00 0.48 C ATOM 391 C TYR A 111 65.325 6.320 -4.931 1.00 0.42 C ATOM 392 O TYR A 111 64.656 6.767 -5.841 1.00 0.52 O ATOM 393 CB TYR A 111 67.639 7.248 -4.656 1.00 0.52 C ATOM 394 CG TYR A 111 69.095 7.008 -4.963 1.00 0.60 C ATOM 395 CD1 TYR A 111 69.559 7.105 -6.279 1.00 1.38 C ATOM 396 CD2 TYR A 111 69.982 6.687 -3.930 1.00 1.36 C ATOM 397 CE1 TYR A 111 70.911 6.881 -6.563 1.00 1.46 C ATOM 398 CE2 TYR A 111 71.334 6.462 -4.213 1.00 1.40 C ATOM 399 CZ TYR A 111 71.798 6.559 -5.529 1.00 0.83 C ATOM 400 OH TYR A 111 73.132 6.338 -5.808 1.00 0.97 O ATOM 0 H TYR A 111 67.005 6.707 -7.130 1.00 0.50 H new ATOM 0 HA TYR A 111 67.049 5.150 -4.527 1.00 0.48 H new ATOM 0 HB2 TYR A 111 67.293 8.148 -5.164 1.00 0.52 H new ATOM 0 HB3 TYR A 111 67.504 7.413 -3.587 1.00 0.52 H new ATOM 0 HD1 TYR A 111 68.874 7.353 -7.076 1.00 1.38 H new ATOM 0 HD2 TYR A 111 69.623 6.613 -2.914 1.00 1.36 H new ATOM 0 HE1 TYR A 111 71.270 6.956 -7.579 1.00 1.46 H new ATOM 0 HE2 TYR A 111 72.019 6.214 -3.416 1.00 1.40 H new ATOM 0 HH TYR A 111 73.609 6.127 -4.978 1.00 0.97 H new ATOM 410 N ILE A 112 64.795 6.061 -3.768 1.00 0.36 N ATOM 411 CA ILE A 112 63.344 6.318 -3.545 1.00 0.32 C ATOM 412 C ILE A 112 63.144 7.318 -2.408 1.00 0.35 C ATOM 413 O ILE A 112 63.790 7.252 -1.382 1.00 0.43 O ATOM 414 CB ILE A 112 62.747 4.969 -3.186 1.00 0.32 C ATOM 415 CG1 ILE A 112 63.219 3.957 -4.238 1.00 0.40 C ATOM 416 CG2 ILE A 112 61.218 5.094 -3.188 1.00 0.35 C ATOM 417 CD1 ILE A 112 62.121 2.935 -4.539 1.00 0.46 C ATOM 0 H ILE A 112 65.300 5.684 -2.966 1.00 0.36 H new ATOM 0 HA ILE A 112 62.868 6.748 -4.426 1.00 0.32 H new ATOM 0 HB ILE A 112 63.064 4.637 -2.197 1.00 0.32 H new ATOM 0 HG12 ILE A 112 63.496 4.480 -5.153 1.00 0.40 H new ATOM 0 HG13 ILE A 112 64.112 3.444 -3.881 1.00 0.40 H new ATOM 0 HG21 ILE A 112 60.774 4.132 -2.932 1.00 0.35 H new ATOM 0 HG22 ILE A 112 60.913 5.841 -2.455 1.00 0.35 H new ATOM 0 HG23 ILE A 112 60.879 5.398 -4.178 1.00 0.35 H new ATOM 0 HD11 ILE A 112 62.478 2.227 -5.287 1.00 0.46 H new ATOM 0 HD12 ILE A 112 61.863 2.398 -3.626 1.00 0.46 H new ATOM 0 HD13 ILE A 112 61.238 3.450 -4.918 1.00 0.46 H new ATOM 429 N ASP A 113 62.251 8.243 -2.592 1.00 0.36 N ATOM 430 CA ASP A 113 61.998 9.260 -1.530 1.00 0.44 C ATOM 431 C ASP A 113 60.707 8.931 -0.774 1.00 0.44 C ATOM 432 O ASP A 113 60.100 7.902 -0.987 1.00 0.60 O ATOM 433 CB ASP A 113 61.861 10.587 -2.280 1.00 0.56 C ATOM 434 CG ASP A 113 60.516 10.630 -3.006 1.00 0.94 C ATOM 435 OD1 ASP A 113 60.179 9.648 -3.647 1.00 1.58 O ATOM 436 OD2 ASP A 113 59.845 11.644 -2.911 1.00 1.53 O ATOM 0 H ASP A 113 61.682 8.343 -3.432 1.00 0.36 H new ATOM 0 HA ASP A 113 62.796 9.291 -0.789 1.00 0.44 H new ATOM 0 HB2 ASP A 113 61.935 11.420 -1.581 1.00 0.56 H new ATOM 0 HB3 ASP A 113 62.676 10.697 -2.996 1.00 0.56 H new ATOM 441 N LEU A 114 60.286 9.796 0.108 1.00 0.47 N ATOM 442 CA LEU A 114 59.034 9.530 0.877 1.00 0.47 C ATOM 443 C LEU A 114 57.825 9.556 -0.062 1.00 0.50 C ATOM 444 O LEU A 114 56.811 8.939 0.196 1.00 0.52 O ATOM 445 CB LEU A 114 58.948 10.668 1.896 1.00 0.57 C ATOM 446 CG LEU A 114 58.514 10.109 3.251 1.00 0.68 C ATOM 447 CD1 LEU A 114 58.445 11.244 4.274 1.00 1.36 C ATOM 448 CD2 LEU A 114 57.134 9.461 3.117 1.00 1.57 C ATOM 0 H LEU A 114 60.753 10.675 0.330 1.00 0.47 H new ATOM 0 HA LEU A 114 59.042 8.552 1.358 1.00 0.47 H new ATOM 0 HB2 LEU A 114 59.915 11.162 1.988 1.00 0.57 H new ATOM 0 HB3 LEU A 114 58.237 11.421 1.557 1.00 0.57 H new ATOM 0 HG LEU A 114 59.236 9.363 3.583 1.00 0.68 H new ATOM 0 HD11 LEU A 114 58.135 10.845 5.240 1.00 1.36 H new ATOM 0 HD12 LEU A 114 59.427 11.707 4.371 1.00 1.36 H new ATOM 0 HD13 LEU A 114 57.723 11.990 3.942 1.00 1.36 H new ATOM 0 HD21 LEU A 114 56.824 9.062 4.083 1.00 1.57 H new ATOM 0 HD22 LEU A 114 56.412 10.207 2.784 1.00 1.57 H new ATOM 0 HD23 LEU A 114 57.181 8.652 2.389 1.00 1.57 H new ATOM 460 N GLU A 115 57.927 10.269 -1.151 1.00 0.56 N ATOM 461 CA GLU A 115 56.786 10.342 -2.112 1.00 0.64 C ATOM 462 C GLU A 115 56.605 8.998 -2.823 1.00 0.56 C ATOM 463 O GLU A 115 55.505 8.605 -3.159 1.00 0.61 O ATOM 464 CB GLU A 115 57.187 11.425 -3.114 1.00 0.77 C ATOM 465 CG GLU A 115 55.957 11.871 -3.906 1.00 1.54 C ATOM 466 CD GLU A 115 56.142 13.320 -4.363 1.00 2.04 C ATOM 467 OE1 GLU A 115 56.910 14.027 -3.730 1.00 2.45 O ATOM 468 OE2 GLU A 115 55.513 13.699 -5.337 1.00 2.67 O ATOM 0 H GLU A 115 58.752 10.806 -1.418 1.00 0.56 H new ATOM 0 HA GLU A 115 55.842 10.569 -1.617 1.00 0.64 H new ATOM 0 HB2 GLU A 115 57.623 12.276 -2.590 1.00 0.77 H new ATOM 0 HB3 GLU A 115 57.950 11.043 -3.792 1.00 0.77 H new ATOM 0 HG2 GLU A 115 55.812 11.222 -4.770 1.00 1.54 H new ATOM 0 HG3 GLU A 115 55.063 11.784 -3.289 1.00 1.54 H new ATOM 475 N GLU A 116 57.676 8.292 -3.057 1.00 0.49 N ATOM 476 CA GLU A 116 57.565 6.974 -3.746 1.00 0.45 C ATOM 477 C GLU A 116 57.257 5.871 -2.731 1.00 0.43 C ATOM 478 O GLU A 116 56.496 4.961 -2.998 1.00 0.51 O ATOM 479 CB GLU A 116 58.938 6.743 -4.378 1.00 0.42 C ATOM 480 CG GLU A 116 59.204 7.804 -5.446 1.00 0.94 C ATOM 481 CD GLU A 116 60.706 7.878 -5.726 1.00 0.85 C ATOM 482 OE1 GLU A 116 61.318 6.829 -5.844 1.00 1.28 O ATOM 483 OE2 GLU A 116 61.220 8.980 -5.818 1.00 1.43 O ATOM 0 H GLU A 116 58.624 8.570 -2.801 1.00 0.49 H new ATOM 0 HA GLU A 116 56.764 6.962 -4.485 1.00 0.45 H new ATOM 0 HB2 GLU A 116 59.712 6.784 -3.612 1.00 0.42 H new ATOM 0 HB3 GLU A 116 58.981 5.749 -4.822 1.00 0.42 H new ATOM 0 HG2 GLU A 116 58.664 7.559 -6.361 1.00 0.94 H new ATOM 0 HG3 GLU A 116 58.837 8.774 -5.110 1.00 0.94 H new ATOM 490 N LEU A 117 57.845 5.944 -1.570 1.00 0.37 N ATOM 491 CA LEU A 117 57.593 4.903 -0.536 1.00 0.42 C ATOM 492 C LEU A 117 56.107 4.862 -0.178 1.00 0.50 C ATOM 493 O LEU A 117 55.551 3.813 0.080 1.00 0.58 O ATOM 494 CB LEU A 117 58.427 5.338 0.671 1.00 0.43 C ATOM 495 CG LEU A 117 58.973 4.101 1.386 1.00 0.61 C ATOM 496 CD1 LEU A 117 59.759 3.244 0.394 1.00 0.90 C ATOM 497 CD2 LEU A 117 59.897 4.541 2.524 1.00 1.53 C ATOM 0 H LEU A 117 58.491 6.682 -1.292 1.00 0.37 H new ATOM 0 HA LEU A 117 57.862 3.904 -0.879 1.00 0.42 H new ATOM 0 HB2 LEU A 117 59.249 5.977 0.347 1.00 0.43 H new ATOM 0 HB3 LEU A 117 57.816 5.927 1.355 1.00 0.43 H new ATOM 0 HG LEU A 117 58.146 3.519 1.791 1.00 0.61 H new ATOM 0 HD11 LEU A 117 60.148 2.362 0.903 1.00 0.90 H new ATOM 0 HD12 LEU A 117 59.102 2.933 -0.419 1.00 0.90 H new ATOM 0 HD13 LEU A 117 60.588 3.824 -0.011 1.00 0.90 H new ATOM 0 HD21 LEU A 117 60.288 3.662 3.036 1.00 1.53 H new ATOM 0 HD22 LEU A 117 60.725 5.122 2.117 1.00 1.53 H new ATOM 0 HD23 LEU A 117 59.337 5.153 3.231 1.00 1.53 H new ATOM 509 N LYS A 118 55.459 5.995 -0.160 1.00 0.52 N ATOM 510 CA LYS A 118 54.009 6.012 0.183 1.00 0.63 C ATOM 511 C LYS A 118 53.204 5.289 -0.899 1.00 0.71 C ATOM 512 O LYS A 118 52.162 4.723 -0.636 1.00 0.83 O ATOM 513 CB LYS A 118 53.624 7.491 0.245 1.00 0.68 C ATOM 514 CG LYS A 118 53.973 8.167 -1.081 1.00 1.05 C ATOM 515 CD LYS A 118 53.240 9.507 -1.180 1.00 1.33 C ATOM 516 CE LYS A 118 53.668 10.412 -0.022 1.00 1.49 C ATOM 517 NZ LYS A 118 52.515 11.329 0.195 1.00 1.82 N ATOM 0 H LYS A 118 55.869 6.906 -0.367 1.00 0.52 H new ATOM 0 HA LYS A 118 53.804 5.504 1.125 1.00 0.63 H new ATOM 0 HB2 LYS A 118 52.558 7.592 0.447 1.00 0.68 H new ATOM 0 HB3 LYS A 118 54.151 7.980 1.064 1.00 0.68 H new ATOM 0 HG2 LYS A 118 55.050 8.323 -1.149 1.00 1.05 H new ATOM 0 HG3 LYS A 118 53.691 7.524 -1.915 1.00 1.05 H new ATOM 0 HD2 LYS A 118 53.465 9.987 -2.132 1.00 1.33 H new ATOM 0 HD3 LYS A 118 52.162 9.347 -1.151 1.00 1.33 H new ATOM 0 HE2 LYS A 118 53.884 9.831 0.874 1.00 1.49 H new ATOM 0 HE3 LYS A 118 54.573 10.967 -0.268 1.00 1.49 H new ATOM 0 HZ1 LYS A 118 52.781 12.066 0.879 1.00 1.82 H new ATOM 0 HZ2 LYS A 118 52.250 11.773 -0.707 1.00 1.82 H new ATOM 0 HZ3 LYS A 118 51.707 10.789 0.565 1.00 1.82 H new ATOM 531 N ILE A 119 53.679 5.300 -2.115 1.00 0.72 N ATOM 532 CA ILE A 119 52.940 4.609 -3.209 1.00 0.84 C ATOM 533 C ILE A 119 53.172 3.097 -3.127 1.00 0.86 C ATOM 534 O ILE A 119 52.397 2.313 -3.636 1.00 0.96 O ATOM 535 CB ILE A 119 53.520 5.183 -4.502 1.00 0.93 C ATOM 536 CG1 ILE A 119 52.874 6.542 -4.777 1.00 1.00 C ATOM 537 CG2 ILE A 119 53.225 4.238 -5.668 1.00 1.06 C ATOM 538 CD1 ILE A 119 53.598 7.223 -5.936 1.00 1.08 C ATOM 0 H ILE A 119 54.546 5.757 -2.398 1.00 0.72 H new ATOM 0 HA ILE A 119 51.863 4.764 -3.148 1.00 0.84 H new ATOM 0 HB ILE A 119 54.599 5.297 -4.397 1.00 0.93 H new ATOM 0 HG12 ILE A 119 51.819 6.413 -5.018 1.00 1.00 H new ATOM 0 HG13 ILE A 119 52.923 7.167 -3.886 1.00 1.00 H new ATOM 0 HG21 ILE A 119 53.641 4.652 -6.586 1.00 1.06 H new ATOM 0 HG22 ILE A 119 53.677 3.266 -5.472 1.00 1.06 H new ATOM 0 HG23 ILE A 119 52.147 4.121 -5.778 1.00 1.06 H new ATOM 0 HD11 ILE A 119 53.139 8.192 -6.133 1.00 1.08 H new ATOM 0 HD12 ILE A 119 54.647 7.365 -5.677 1.00 1.08 H new ATOM 0 HD13 ILE A 119 53.526 6.599 -6.827 1.00 1.08 H new ATOM 550 N MET A 120 54.233 2.682 -2.486 1.00 0.82 N ATOM 551 CA MET A 120 54.508 1.219 -2.370 1.00 0.92 C ATOM 552 C MET A 120 53.492 0.570 -1.427 1.00 0.92 C ATOM 553 O MET A 120 52.983 -0.502 -1.688 1.00 1.01 O ATOM 554 CB MET A 120 55.918 1.125 -1.784 1.00 0.96 C ATOM 555 CG MET A 120 56.160 -0.292 -1.257 1.00 1.50 C ATOM 556 SD MET A 120 57.877 -0.443 -0.704 1.00 2.13 S ATOM 557 CE MET A 120 57.534 -1.211 0.898 1.00 2.73 C ATOM 0 H MET A 120 54.919 3.290 -2.039 1.00 0.82 H new ATOM 0 HA MET A 120 54.431 0.705 -3.328 1.00 0.92 H new ATOM 0 HB2 MET A 120 56.657 1.372 -2.546 1.00 0.96 H new ATOM 0 HB3 MET A 120 56.037 1.849 -0.978 1.00 0.96 H new ATOM 0 HG2 MET A 120 55.481 -0.506 -0.432 1.00 1.50 H new ATOM 0 HG3 MET A 120 55.952 -1.023 -2.039 1.00 1.50 H new ATOM 0 HE1 MET A 120 58.472 -1.396 1.421 1.00 2.73 H new ATOM 0 HE2 MET A 120 56.911 -0.545 1.495 1.00 2.73 H new ATOM 0 HE3 MET A 120 57.012 -2.155 0.744 1.00 2.73 H new ATOM 567 N LEU A 121 53.192 1.215 -0.333 1.00 0.88 N ATOM 568 CA LEU A 121 52.206 0.642 0.629 1.00 0.96 C ATOM 569 C LEU A 121 50.816 0.606 -0.004 1.00 0.99 C ATOM 570 O LEU A 121 50.115 -0.381 0.073 1.00 1.12 O ATOM 571 CB LEU A 121 52.213 1.596 1.815 1.00 0.98 C ATOM 572 CG LEU A 121 53.603 1.617 2.453 1.00 1.19 C ATOM 573 CD1 LEU A 121 53.546 2.386 3.775 1.00 1.51 C ATOM 574 CD2 LEU A 121 54.063 0.183 2.721 1.00 1.81 C ATOM 0 H LEU A 121 53.587 2.116 -0.063 1.00 0.88 H new ATOM 0 HA LEU A 121 52.458 -0.378 0.918 1.00 0.96 H new ATOM 0 HB2 LEU A 121 51.937 2.599 1.489 1.00 0.98 H new ATOM 0 HB3 LEU A 121 51.470 1.284 2.549 1.00 0.98 H new ATOM 0 HG LEU A 121 54.305 2.105 1.777 1.00 1.19 H new ATOM 0 HD11 LEU A 121 54.536 2.401 4.230 1.00 1.51 H new ATOM 0 HD12 LEU A 121 53.217 3.408 3.587 1.00 1.51 H new ATOM 0 HD13 LEU A 121 52.844 1.897 4.450 1.00 1.51 H new ATOM 0 HD21 LEU A 121 55.054 0.198 3.176 1.00 1.81 H new ATOM 0 HD22 LEU A 121 53.360 -0.304 3.397 1.00 1.81 H new ATOM 0 HD23 LEU A 121 54.103 -0.368 1.781 1.00 1.81 H new ATOM 586 N GLN A 122 50.411 1.681 -0.628 1.00 0.95 N ATOM 587 CA GLN A 122 49.066 1.703 -1.268 1.00 1.05 C ATOM 588 C GLN A 122 49.013 0.642 -2.361 1.00 1.12 C ATOM 589 O GLN A 122 48.034 -0.061 -2.514 1.00 1.24 O ATOM 590 CB GLN A 122 48.930 3.105 -1.859 1.00 1.07 C ATOM 591 CG GLN A 122 48.469 4.064 -0.762 1.00 1.49 C ATOM 592 CD GLN A 122 48.085 5.409 -1.383 1.00 1.51 C ATOM 593 OE1 GLN A 122 47.017 5.927 -1.125 1.00 2.24 O ATOM 594 NE2 GLN A 122 48.916 5.998 -2.197 1.00 1.52 N ATOM 0 H GLN A 122 50.952 2.541 -0.721 1.00 0.95 H new ATOM 0 HA GLN A 122 48.258 1.488 -0.569 1.00 1.05 H new ATOM 0 HB2 GLN A 122 49.884 3.434 -2.271 1.00 1.07 H new ATOM 0 HB3 GLN A 122 48.213 3.100 -2.680 1.00 1.07 H new ATOM 0 HG2 GLN A 122 47.617 3.641 -0.230 1.00 1.49 H new ATOM 0 HG3 GLN A 122 49.264 4.204 -0.030 1.00 1.49 H new ATOM 0 HE21 GLN A 122 49.813 5.563 -2.413 1.00 1.52 H new ATOM 0 HE22 GLN A 122 48.669 6.894 -2.617 1.00 1.52 H new ATOM 603 N ALA A 123 50.071 0.506 -3.110 1.00 1.11 N ATOM 604 CA ALA A 123 50.090 -0.529 -4.175 1.00 1.26 C ATOM 605 C ALA A 123 49.949 -1.904 -3.524 1.00 1.39 C ATOM 606 O ALA A 123 49.552 -2.866 -4.152 1.00 1.55 O ATOM 607 CB ALA A 123 51.454 -0.385 -4.851 1.00 1.31 C ATOM 0 H ALA A 123 50.920 1.066 -3.030 1.00 1.11 H new ATOM 0 HA ALA A 123 49.280 -0.417 -4.896 1.00 1.26 H new ATOM 0 HB1 ALA A 123 51.543 -1.119 -5.652 1.00 1.31 H new ATOM 0 HB2 ALA A 123 51.550 0.618 -5.266 1.00 1.31 H new ATOM 0 HB3 ALA A 123 52.243 -0.551 -4.118 1.00 1.31 H new ATOM 613 N THR A 124 50.267 -1.997 -2.259 1.00 1.38 N ATOM 614 CA THR A 124 50.147 -3.304 -1.552 1.00 1.59 C ATOM 615 C THR A 124 48.911 -3.298 -0.646 1.00 1.77 C ATOM 616 O THR A 124 48.538 -4.309 -0.085 1.00 2.03 O ATOM 617 CB THR A 124 51.422 -3.425 -0.716 1.00 1.65 C ATOM 618 OG1 THR A 124 51.905 -2.127 -0.400 1.00 2.26 O ATOM 619 CG2 THR A 124 52.484 -4.191 -1.506 1.00 1.97 C ATOM 0 H THR A 124 50.605 -1.224 -1.686 1.00 1.38 H new ATOM 0 HA THR A 124 50.035 -4.139 -2.243 1.00 1.59 H new ATOM 0 HB THR A 124 51.202 -3.964 0.205 1.00 1.65 H new ATOM 0 HG1 THR A 124 52.570 -1.854 -1.066 1.00 2.26 H new ATOM 0 HG21 THR A 124 53.391 -4.276 -0.908 1.00 1.97 H new ATOM 0 HG22 THR A 124 52.112 -5.187 -1.744 1.00 1.97 H new ATOM 0 HG23 THR A 124 52.707 -3.656 -2.429 1.00 1.97 H new ATOM 627 N GLY A 125 48.274 -2.166 -0.497 1.00 1.74 N ATOM 628 CA GLY A 125 47.066 -2.101 0.373 1.00 2.07 C ATOM 629 C GLY A 125 46.966 -0.712 1.006 1.00 1.64 C ATOM 630 O GLY A 125 47.959 -0.058 1.251 1.00 2.16 O ATOM 0 H GLY A 125 48.539 -1.286 -0.940 1.00 1.74 H new ATOM 0 HA2 GLY A 125 46.171 -2.310 -0.213 1.00 2.07 H new ATOM 0 HA3 GLY A 125 47.123 -2.863 1.150 1.00 2.07 H new ATOM 634 N GLU A 126 45.772 -0.255 1.272 1.00 1.68 N ATOM 635 CA GLU A 126 45.611 1.094 1.888 1.00 1.94 C ATOM 636 C GLU A 126 45.067 0.964 3.313 1.00 1.76 C ATOM 637 O GLU A 126 43.900 0.696 3.520 1.00 2.42 O ATOM 638 CB GLU A 126 44.604 1.817 0.992 1.00 2.83 C ATOM 639 CG GLU A 126 45.344 2.786 0.069 1.00 3.43 C ATOM 640 CD GLU A 126 44.332 3.664 -0.670 1.00 4.44 C ATOM 641 OE1 GLU A 126 43.145 3.434 -0.502 1.00 4.97 O ATOM 642 OE2 GLU A 126 44.761 4.551 -1.389 1.00 5.02 O ATOM 0 H GLU A 126 44.903 -0.756 1.090 1.00 1.68 H new ATOM 0 HA GLU A 126 46.556 1.633 1.959 1.00 1.94 H new ATOM 0 HB2 GLU A 126 44.042 1.093 0.401 1.00 2.83 H new ATOM 0 HB3 GLU A 126 43.882 2.360 1.603 1.00 2.83 H new ATOM 0 HG2 GLU A 126 46.025 3.408 0.649 1.00 3.43 H new ATOM 0 HG3 GLU A 126 45.950 2.231 -0.647 1.00 3.43 H new ATOM 649 N THR A 127 45.903 1.154 4.298 1.00 1.67 N ATOM 650 CA THR A 127 45.433 1.042 5.709 1.00 1.97 C ATOM 651 C THR A 127 45.713 2.346 6.462 1.00 1.60 C ATOM 652 O THR A 127 44.932 2.778 7.287 1.00 1.70 O ATOM 653 CB THR A 127 46.245 -0.108 6.308 1.00 2.78 C ATOM 654 OG1 THR A 127 46.757 -0.918 5.259 1.00 3.37 O ATOM 655 CG2 THR A 127 45.347 -0.952 7.215 1.00 3.72 C ATOM 0 H THR A 127 46.891 1.382 4.187 1.00 1.67 H new ATOM 0 HA THR A 127 44.360 0.860 5.775 1.00 1.97 H new ATOM 0 HB THR A 127 47.071 0.296 6.894 1.00 2.78 H new ATOM 0 HG1 THR A 127 47.279 -1.655 5.640 1.00 3.37 H new ATOM 0 HG21 THR A 127 45.927 -1.771 7.641 1.00 3.72 H new ATOM 0 HG22 THR A 127 44.954 -0.329 8.019 1.00 3.72 H new ATOM 0 HG23 THR A 127 44.520 -1.358 6.632 1.00 3.72 H new ATOM 663 N ILE A 128 46.821 2.976 6.183 1.00 1.39 N ATOM 664 CA ILE A 128 47.152 4.252 6.881 1.00 1.35 C ATOM 665 C ILE A 128 47.384 5.369 5.860 1.00 1.27 C ATOM 666 O ILE A 128 47.250 5.170 4.669 1.00 1.39 O ATOM 667 CB ILE A 128 48.431 3.958 7.656 1.00 1.59 C ATOM 668 CG1 ILE A 128 49.591 3.785 6.677 1.00 2.00 C ATOM 669 CG2 ILE A 128 48.256 2.676 8.469 1.00 2.58 C ATOM 670 CD1 ILE A 128 50.881 3.604 7.468 1.00 2.44 C ATOM 0 H ILE A 128 47.512 2.663 5.502 1.00 1.39 H new ATOM 0 HA ILE A 128 46.347 4.586 7.536 1.00 1.35 H new ATOM 0 HB ILE A 128 48.643 4.788 8.330 1.00 1.59 H new ATOM 0 HG12 ILE A 128 49.418 2.921 6.036 1.00 2.00 H new ATOM 0 HG13 ILE A 128 49.667 4.655 6.025 1.00 2.00 H new ATOM 0 HG21 ILE A 128 49.172 2.468 9.022 1.00 2.58 H new ATOM 0 HG22 ILE A 128 47.429 2.799 9.169 1.00 2.58 H new ATOM 0 HG23 ILE A 128 48.042 1.845 7.797 1.00 2.58 H new ATOM 0 HD11 ILE A 128 51.716 3.480 6.779 1.00 2.44 H new ATOM 0 HD12 ILE A 128 51.052 4.482 8.091 1.00 2.44 H new ATOM 0 HD13 ILE A 128 50.799 2.721 8.101 1.00 2.44 H new ATOM 682 N THR A 129 47.731 6.543 6.315 1.00 1.18 N ATOM 683 CA THR A 129 47.968 7.669 5.364 1.00 1.21 C ATOM 684 C THR A 129 49.364 8.262 5.577 1.00 1.10 C ATOM 685 O THR A 129 50.141 7.778 6.376 1.00 1.04 O ATOM 686 CB THR A 129 46.890 8.702 5.696 1.00 1.37 C ATOM 687 OG1 THR A 129 47.159 9.274 6.968 1.00 1.63 O ATOM 688 CG2 THR A 129 45.521 8.022 5.718 1.00 1.63 C ATOM 0 H THR A 129 47.860 6.771 7.301 1.00 1.18 H new ATOM 0 HA THR A 129 47.918 7.346 4.324 1.00 1.21 H new ATOM 0 HB THR A 129 46.891 9.486 4.939 1.00 1.37 H new ATOM 0 HG1 THR A 129 46.470 9.937 7.181 1.00 1.63 H new ATOM 0 HG21 THR A 129 44.753 8.758 5.955 1.00 1.63 H new ATOM 0 HG22 THR A 129 45.316 7.585 4.741 1.00 1.63 H new ATOM 0 HG23 THR A 129 45.517 7.237 6.474 1.00 1.63 H new ATOM 696 N GLU A 130 49.687 9.309 4.865 1.00 1.13 N ATOM 697 CA GLU A 130 51.033 9.933 5.023 1.00 1.09 C ATOM 698 C GLU A 130 51.353 10.134 6.508 1.00 1.03 C ATOM 699 O GLU A 130 52.498 10.107 6.914 1.00 0.98 O ATOM 700 CB GLU A 130 50.931 11.281 4.307 1.00 1.23 C ATOM 701 CG GLU A 130 52.337 11.822 4.034 1.00 1.68 C ATOM 702 CD GLU A 130 52.377 13.320 4.340 1.00 2.20 C ATOM 703 OE1 GLU A 130 51.755 14.072 3.607 1.00 2.66 O ATOM 704 OE2 GLU A 130 53.031 13.692 5.301 1.00 2.77 O ATOM 0 H GLU A 130 49.078 9.759 4.182 1.00 1.13 H new ATOM 0 HA GLU A 130 51.828 9.312 4.610 1.00 1.09 H new ATOM 0 HB2 GLU A 130 50.386 11.167 3.370 1.00 1.23 H new ATOM 0 HB3 GLU A 130 50.370 11.988 4.918 1.00 1.23 H new ATOM 0 HG2 GLU A 130 53.066 11.295 4.649 1.00 1.68 H new ATOM 0 HG3 GLU A 130 52.610 11.645 2.994 1.00 1.68 H new ATOM 711 N ASP A 131 50.351 10.335 7.319 1.00 1.08 N ATOM 712 CA ASP A 131 50.598 10.536 8.777 1.00 1.10 C ATOM 713 C ASP A 131 51.460 9.397 9.329 1.00 0.95 C ATOM 714 O ASP A 131 52.429 9.622 10.027 1.00 0.88 O ATOM 715 CB ASP A 131 49.211 10.516 9.418 1.00 1.27 C ATOM 716 CG ASP A 131 49.325 10.894 10.895 1.00 1.65 C ATOM 717 OD1 ASP A 131 50.347 11.450 11.267 1.00 2.09 O ATOM 718 OD2 ASP A 131 48.390 10.623 11.630 1.00 2.28 O ATOM 0 H ASP A 131 49.372 10.369 7.036 1.00 1.08 H new ATOM 0 HA ASP A 131 51.130 11.465 8.982 1.00 1.10 H new ATOM 0 HB2 ASP A 131 48.551 11.214 8.903 1.00 1.27 H new ATOM 0 HB3 ASP A 131 48.767 9.525 9.319 1.00 1.27 H new ATOM 723 N ASP A 132 51.114 8.176 9.024 1.00 0.96 N ATOM 724 CA ASP A 132 51.914 7.025 9.534 1.00 0.88 C ATOM 725 C ASP A 132 53.188 6.853 8.701 1.00 0.76 C ATOM 726 O ASP A 132 54.238 6.524 9.215 1.00 0.72 O ATOM 727 CB ASP A 132 51.003 5.809 9.373 1.00 0.99 C ATOM 728 CG ASP A 132 50.027 5.742 10.549 1.00 1.31 C ATOM 729 OD1 ASP A 132 50.491 5.722 11.678 1.00 1.95 O ATOM 730 OD2 ASP A 132 48.832 5.713 10.302 1.00 1.70 O ATOM 0 H ASP A 132 50.313 7.925 8.444 1.00 0.96 H new ATOM 0 HA ASP A 132 52.228 7.167 10.568 1.00 0.88 H new ATOM 0 HB2 ASP A 132 50.453 5.875 8.434 1.00 0.99 H new ATOM 0 HB3 ASP A 132 51.600 4.898 9.330 1.00 0.99 H new ATOM 735 N ILE A 133 53.101 7.070 7.417 1.00 0.78 N ATOM 736 CA ILE A 133 54.305 6.916 6.550 1.00 0.73 C ATOM 737 C ILE A 133 55.262 8.096 6.751 1.00 0.66 C ATOM 738 O ILE A 133 56.341 8.131 6.195 1.00 0.63 O ATOM 739 CB ILE A 133 53.761 6.905 5.121 1.00 0.84 C ATOM 740 CG1 ILE A 133 52.780 5.742 4.961 1.00 0.91 C ATOM 741 CG2 ILE A 133 54.918 6.734 4.135 1.00 1.14 C ATOM 742 CD1 ILE A 133 51.681 6.133 3.971 1.00 0.96 C ATOM 0 H ILE A 133 52.249 7.347 6.930 1.00 0.78 H new ATOM 0 HA ILE A 133 54.867 6.012 6.782 1.00 0.73 H new ATOM 0 HB ILE A 133 53.249 7.846 4.919 1.00 0.84 H new ATOM 0 HG12 ILE A 133 53.305 4.856 4.606 1.00 0.91 H new ATOM 0 HG13 ILE A 133 52.341 5.487 5.926 1.00 0.91 H new ATOM 0 HG21 ILE A 133 54.530 6.726 3.116 1.00 1.14 H new ATOM 0 HG22 ILE A 133 55.619 7.561 4.250 1.00 1.14 H new ATOM 0 HG23 ILE A 133 55.431 5.793 4.335 1.00 1.14 H new ATOM 0 HD11 ILE A 133 50.982 5.304 3.857 1.00 0.96 H new ATOM 0 HD12 ILE A 133 51.149 7.008 4.345 1.00 0.96 H new ATOM 0 HD13 ILE A 133 52.128 6.366 3.005 1.00 0.96 H new ATOM 754 N GLU A 134 54.876 9.059 7.541 1.00 0.73 N ATOM 755 CA GLU A 134 55.766 10.233 7.775 1.00 0.77 C ATOM 756 C GLU A 134 56.938 9.840 8.678 1.00 0.70 C ATOM 757 O GLU A 134 58.069 10.219 8.444 1.00 0.68 O ATOM 758 CB GLU A 134 54.882 11.271 8.467 1.00 0.96 C ATOM 759 CG GLU A 134 54.108 12.066 7.414 1.00 0.95 C ATOM 760 CD GLU A 134 54.623 13.507 7.378 1.00 1.60 C ATOM 761 OE1 GLU A 134 54.122 14.314 8.142 1.00 2.27 O ATOM 762 OE2 GLU A 134 55.511 13.777 6.586 1.00 2.07 O ATOM 0 H GLU A 134 53.984 9.085 8.035 1.00 0.73 H new ATOM 0 HA GLU A 134 56.194 10.615 6.848 1.00 0.77 H new ATOM 0 HB2 GLU A 134 54.188 10.778 9.148 1.00 0.96 H new ATOM 0 HB3 GLU A 134 55.495 11.943 9.068 1.00 0.96 H new ATOM 0 HG2 GLU A 134 54.226 11.602 6.435 1.00 0.95 H new ATOM 0 HG3 GLU A 134 53.043 12.055 7.646 1.00 0.95 H new ATOM 769 N GLU A 135 56.677 9.085 9.709 1.00 0.74 N ATOM 770 CA GLU A 135 57.776 8.670 10.626 1.00 0.76 C ATOM 771 C GLU A 135 58.411 7.367 10.134 1.00 0.66 C ATOM 772 O GLU A 135 59.439 6.941 10.625 1.00 0.74 O ATOM 773 CB GLU A 135 57.102 8.461 11.982 1.00 0.88 C ATOM 774 CG GLU A 135 57.896 9.193 13.066 1.00 1.20 C ATOM 775 CD GLU A 135 59.138 8.378 13.429 1.00 1.48 C ATOM 776 OE1 GLU A 135 59.196 7.220 13.048 1.00 2.16 O ATOM 777 OE2 GLU A 135 60.011 8.925 14.083 1.00 1.95 O ATOM 0 H GLU A 135 55.751 8.737 9.956 1.00 0.74 H new ATOM 0 HA GLU A 135 58.574 9.411 10.678 1.00 0.76 H new ATOM 0 HB2 GLU A 135 56.078 8.834 11.952 1.00 0.88 H new ATOM 0 HB3 GLU A 135 57.047 7.397 12.213 1.00 0.88 H new ATOM 0 HG2 GLU A 135 58.188 10.182 12.712 1.00 1.20 H new ATOM 0 HG3 GLU A 135 57.275 9.341 13.949 1.00 1.20 H new ATOM 784 N LEU A 136 57.807 6.731 9.170 1.00 0.62 N ATOM 785 CA LEU A 136 58.374 5.455 8.646 1.00 0.66 C ATOM 786 C LEU A 136 59.644 5.728 7.835 1.00 0.61 C ATOM 787 O LEU A 136 60.623 5.017 7.939 1.00 0.70 O ATOM 788 CB LEU A 136 57.277 4.872 7.753 1.00 0.77 C ATOM 789 CG LEU A 136 57.866 3.772 6.868 1.00 0.86 C ATOM 790 CD1 LEU A 136 58.577 2.738 7.741 1.00 1.63 C ATOM 791 CD2 LEU A 136 56.740 3.091 6.088 1.00 1.38 C ATOM 0 H LEU A 136 56.944 7.039 8.721 1.00 0.62 H new ATOM 0 HA LEU A 136 58.655 4.770 9.446 1.00 0.66 H new ATOM 0 HB2 LEU A 136 56.472 4.467 8.366 1.00 0.77 H new ATOM 0 HB3 LEU A 136 56.842 5.657 7.134 1.00 0.77 H new ATOM 0 HG LEU A 136 58.580 4.210 6.171 1.00 0.86 H new ATOM 0 HD11 LEU A 136 58.996 1.955 7.109 1.00 1.63 H new ATOM 0 HD12 LEU A 136 59.379 3.222 8.299 1.00 1.63 H new ATOM 0 HD13 LEU A 136 57.864 2.299 8.438 1.00 1.63 H new ATOM 0 HD21 LEU A 136 57.157 2.307 5.457 1.00 1.38 H new ATOM 0 HD22 LEU A 136 56.027 2.653 6.786 1.00 1.38 H new ATOM 0 HD23 LEU A 136 56.232 3.827 5.464 1.00 1.38 H new ATOM 803 N MET A 137 59.636 6.753 7.026 1.00 0.55 N ATOM 804 CA MET A 137 60.845 7.066 6.209 1.00 0.59 C ATOM 805 C MET A 137 61.944 7.662 7.094 1.00 0.65 C ATOM 806 O MET A 137 63.117 7.419 6.889 1.00 0.81 O ATOM 807 CB MET A 137 60.371 8.091 5.178 1.00 0.60 C ATOM 808 CG MET A 137 61.581 8.783 4.545 1.00 0.96 C ATOM 809 SD MET A 137 62.776 7.537 3.996 1.00 1.23 S ATOM 810 CE MET A 137 62.042 7.216 2.373 1.00 1.35 C ATOM 0 H MET A 137 58.847 7.386 6.895 1.00 0.55 H new ATOM 0 HA MET A 137 61.266 6.178 5.738 1.00 0.59 H new ATOM 0 HB2 MET A 137 59.777 7.599 4.408 1.00 0.60 H new ATOM 0 HB3 MET A 137 59.726 8.829 5.655 1.00 0.60 H new ATOM 0 HG2 MET A 137 61.263 9.393 3.700 1.00 0.96 H new ATOM 0 HG3 MET A 137 62.047 9.455 5.266 1.00 0.96 H new ATOM 0 HE1 MET A 137 62.481 6.313 1.947 1.00 1.35 H new ATOM 0 HE2 MET A 137 60.966 7.081 2.481 1.00 1.35 H new ATOM 0 HE3 MET A 137 62.237 8.061 1.712 1.00 1.35 H new ATOM 820 N LYS A 138 61.576 8.439 8.074 1.00 0.62 N ATOM 821 CA LYS A 138 62.604 9.049 8.967 1.00 0.79 C ATOM 822 C LYS A 138 63.525 7.963 9.534 1.00 0.86 C ATOM 823 O LYS A 138 64.729 8.118 9.577 1.00 1.16 O ATOM 824 CB LYS A 138 61.809 9.717 10.088 1.00 0.87 C ATOM 825 CG LYS A 138 62.765 10.178 11.191 1.00 1.55 C ATOM 826 CD LYS A 138 62.552 11.668 11.464 1.00 2.07 C ATOM 827 CE LYS A 138 61.201 11.874 12.152 1.00 2.85 C ATOM 828 NZ LYS A 138 61.243 13.268 12.677 1.00 3.36 N ATOM 0 H LYS A 138 60.610 8.679 8.296 1.00 0.62 H new ATOM 0 HA LYS A 138 63.240 9.760 8.439 1.00 0.79 H new ATOM 0 HB2 LYS A 138 61.253 10.568 9.696 1.00 0.87 H new ATOM 0 HB3 LYS A 138 61.078 9.019 10.495 1.00 0.87 H new ATOM 0 HG2 LYS A 138 62.592 9.603 12.100 1.00 1.55 H new ATOM 0 HG3 LYS A 138 63.797 9.997 10.891 1.00 1.55 H new ATOM 0 HD2 LYS A 138 63.355 12.051 12.094 1.00 2.07 H new ATOM 0 HD3 LYS A 138 62.585 12.228 10.529 1.00 2.07 H new ATOM 0 HE2 LYS A 138 60.377 11.741 11.451 1.00 2.85 H new ATOM 0 HE3 LYS A 138 61.054 11.154 12.957 1.00 2.85 H new ATOM 0 HZ1 LYS A 138 60.349 13.483 13.163 1.00 3.36 H new ATOM 0 HZ2 LYS A 138 62.033 13.363 13.347 1.00 3.36 H new ATOM 0 HZ3 LYS A 138 61.377 13.932 11.888 1.00 3.36 H new ATOM 842 N ASP A 139 62.966 6.867 9.970 1.00 0.71 N ATOM 843 CA ASP A 139 63.810 5.774 10.536 1.00 0.85 C ATOM 844 C ASP A 139 64.278 4.833 9.420 1.00 0.85 C ATOM 845 O ASP A 139 65.296 4.178 9.535 1.00 1.02 O ATOM 846 CB ASP A 139 62.895 5.034 11.512 1.00 0.97 C ATOM 847 CG ASP A 139 62.660 5.903 12.750 1.00 1.50 C ATOM 848 OD1 ASP A 139 63.097 7.042 12.743 1.00 2.33 O ATOM 849 OD2 ASP A 139 62.048 5.414 13.685 1.00 1.80 O ATOM 0 H ASP A 139 61.963 6.680 9.959 1.00 0.71 H new ATOM 0 HA ASP A 139 64.706 6.155 11.025 1.00 0.85 H new ATOM 0 HB2 ASP A 139 61.944 4.802 11.031 1.00 0.97 H new ATOM 0 HB3 ASP A 139 63.346 4.085 11.801 1.00 0.97 H new ATOM 854 N GLY A 140 63.545 4.762 8.344 1.00 0.81 N ATOM 855 CA GLY A 140 63.948 3.864 7.224 1.00 0.86 C ATOM 856 C GLY A 140 65.241 4.383 6.592 1.00 0.77 C ATOM 857 O GLY A 140 65.989 3.640 5.988 1.00 0.86 O ATOM 0 H GLY A 140 62.684 5.287 8.191 1.00 0.81 H new ATOM 0 HA2 GLY A 140 64.093 2.849 7.593 1.00 0.86 H new ATOM 0 HA3 GLY A 140 63.157 3.821 6.476 1.00 0.86 H new ATOM 861 N ASP A 141 65.510 5.653 6.725 1.00 0.70 N ATOM 862 CA ASP A 141 66.756 6.218 6.129 1.00 0.66 C ATOM 863 C ASP A 141 67.973 5.812 6.966 1.00 0.74 C ATOM 864 O ASP A 141 68.152 6.266 8.077 1.00 0.87 O ATOM 865 CB ASP A 141 66.562 7.735 6.167 1.00 0.66 C ATOM 866 CG ASP A 141 66.669 8.298 4.748 1.00 0.76 C ATOM 867 OD1 ASP A 141 67.460 7.775 3.982 1.00 0.92 O ATOM 868 OD2 ASP A 141 65.957 9.245 4.452 1.00 0.83 O ATOM 0 H ASP A 141 64.922 6.324 7.220 1.00 0.70 H new ATOM 0 HA ASP A 141 66.931 5.855 5.116 1.00 0.66 H new ATOM 0 HB2 ASP A 141 65.589 7.977 6.594 1.00 0.66 H new ATOM 0 HB3 ASP A 141 67.314 8.193 6.809 1.00 0.66 H new ATOM 873 N LYS A 142 68.809 4.959 6.440 1.00 0.75 N ATOM 874 CA LYS A 142 70.012 4.526 7.207 1.00 0.87 C ATOM 875 C LYS A 142 71.061 5.641 7.217 1.00 0.89 C ATOM 876 O LYS A 142 71.997 5.620 7.992 1.00 1.05 O ATOM 877 CB LYS A 142 70.537 3.297 6.465 1.00 0.89 C ATOM 878 CG LYS A 142 69.746 2.062 6.901 1.00 1.24 C ATOM 879 CD LYS A 142 69.968 1.814 8.395 1.00 1.26 C ATOM 880 CE LYS A 142 68.615 1.641 9.091 1.00 1.55 C ATOM 881 NZ LYS A 142 68.949 1.214 10.479 1.00 1.99 N ATOM 0 H LYS A 142 68.711 4.544 5.514 1.00 0.75 H new ATOM 0 HA LYS A 142 69.780 4.301 8.248 1.00 0.87 H new ATOM 0 HB2 LYS A 142 70.443 3.441 5.389 1.00 0.89 H new ATOM 0 HB3 LYS A 142 71.597 3.157 6.676 1.00 0.89 H new ATOM 0 HG2 LYS A 142 68.685 2.207 6.700 1.00 1.24 H new ATOM 0 HG3 LYS A 142 70.064 1.192 6.326 1.00 1.24 H new ATOM 0 HD2 LYS A 142 70.580 0.924 8.540 1.00 1.26 H new ATOM 0 HD3 LYS A 142 70.512 2.649 8.836 1.00 1.26 H new ATOM 0 HE2 LYS A 142 68.048 2.572 9.090 1.00 1.55 H new ATOM 0 HE3 LYS A 142 68.003 0.895 8.585 1.00 1.55 H new ATOM 0 HZ1 LYS A 142 68.072 1.075 11.020 1.00 1.99 H new ATOM 0 HZ2 LYS A 142 69.482 0.322 10.449 1.00 1.99 H new ATOM 0 HZ3 LYS A 142 69.526 1.947 10.938 1.00 1.99 H new ATOM 895 N ASN A 143 70.907 6.619 6.368 1.00 0.85 N ATOM 896 CA ASN A 143 71.890 7.739 6.337 1.00 1.05 C ATOM 897 C ASN A 143 71.160 9.081 6.446 1.00 1.07 C ATOM 898 O ASN A 143 71.767 10.134 6.430 1.00 1.56 O ATOM 899 CB ASN A 143 72.607 7.609 4.989 1.00 1.08 C ATOM 900 CG ASN A 143 71.708 8.135 3.868 1.00 1.05 C ATOM 901 OD1 ASN A 143 70.503 7.993 3.920 1.00 0.98 O ATOM 902 ND2 ASN A 143 72.250 8.741 2.846 1.00 1.48 N ATOM 0 H ASN A 143 70.144 6.691 5.695 1.00 0.85 H new ATOM 0 HA ASN A 143 72.595 7.697 7.168 1.00 1.05 H new ATOM 0 HB2 ASN A 143 73.542 8.168 5.009 1.00 1.08 H new ATOM 0 HB3 ASN A 143 72.863 6.566 4.803 1.00 1.08 H new ATOM 0 HD21 ASN A 143 71.661 9.095 2.092 1.00 1.48 H new ATOM 0 HD22 ASN A 143 73.262 8.861 2.802 1.00 1.48 H new ATOM 909 N ASN A 144 69.860 9.050 6.563 1.00 0.78 N ATOM 910 CA ASN A 144 69.089 10.320 6.679 1.00 0.82 C ATOM 911 C ASN A 144 69.453 11.270 5.535 1.00 0.82 C ATOM 912 O ASN A 144 70.141 12.254 5.726 1.00 0.92 O ATOM 913 CB ASN A 144 69.507 10.914 8.025 1.00 0.95 C ATOM 914 CG ASN A 144 68.576 10.394 9.121 1.00 1.47 C ATOM 915 OD1 ASN A 144 68.005 11.166 9.865 1.00 2.28 O ATOM 916 ND2 ASN A 144 68.399 9.108 9.255 1.00 1.93 N ATOM 0 H ASN A 144 69.298 8.199 6.583 1.00 0.78 H new ATOM 0 HA ASN A 144 68.013 10.156 6.622 1.00 0.82 H new ATOM 0 HB2 ASN A 144 70.539 10.643 8.250 1.00 0.95 H new ATOM 0 HB3 ASN A 144 69.465 12.002 7.983 1.00 0.95 H new ATOM 0 HD21 ASN A 144 67.781 8.751 9.984 1.00 1.93 H new ATOM 0 HD22 ASN A 144 68.878 8.459 8.630 1.00 1.93 H new ATOM 923 N ASP A 145 68.997 10.981 4.348 1.00 0.75 N ATOM 924 CA ASP A 145 69.316 11.864 3.190 1.00 0.78 C ATOM 925 C ASP A 145 68.043 12.191 2.406 1.00 0.74 C ATOM 926 O ASP A 145 68.068 12.934 1.445 1.00 0.81 O ATOM 927 CB ASP A 145 70.282 11.048 2.330 1.00 0.76 C ATOM 928 CG ASP A 145 69.527 9.888 1.678 1.00 1.12 C ATOM 929 OD1 ASP A 145 68.547 9.446 2.253 1.00 1.72 O ATOM 930 OD2 ASP A 145 69.941 9.463 0.612 1.00 1.85 O ATOM 0 H ASP A 145 68.417 10.171 4.129 1.00 0.75 H new ATOM 0 HA ASP A 145 69.748 12.815 3.501 1.00 0.78 H new ATOM 0 HB2 ASP A 145 70.728 11.682 1.564 1.00 0.76 H new ATOM 0 HB3 ASP A 145 71.098 10.666 2.943 1.00 0.76 H new ATOM 935 N GLY A 146 66.928 11.643 2.808 1.00 0.69 N ATOM 936 CA GLY A 146 65.656 11.923 2.084 1.00 0.70 C ATOM 937 C GLY A 146 65.398 10.820 1.055 1.00 0.58 C ATOM 938 O GLY A 146 64.269 10.532 0.711 1.00 0.62 O ATOM 0 H GLY A 146 66.844 11.014 3.606 1.00 0.69 H new ATOM 0 HA2 GLY A 146 64.828 11.976 2.791 1.00 0.70 H new ATOM 0 HA3 GLY A 146 65.714 12.891 1.587 1.00 0.70 H new ATOM 942 N ARG A 147 66.436 10.201 0.560 1.00 0.54 N ATOM 943 CA ARG A 147 66.247 9.117 -0.449 1.00 0.49 C ATOM 944 C ARG A 147 66.705 7.771 0.122 1.00 0.44 C ATOM 945 O ARG A 147 67.348 7.706 1.150 1.00 0.56 O ATOM 946 CB ARG A 147 67.128 9.519 -1.632 1.00 0.57 C ATOM 947 CG ARG A 147 66.611 10.825 -2.236 1.00 0.78 C ATOM 948 CD ARG A 147 65.793 10.519 -3.492 1.00 0.73 C ATOM 949 NE ARG A 147 65.393 11.852 -4.023 1.00 1.07 N ATOM 950 CZ ARG A 147 66.109 12.425 -4.952 1.00 1.60 C ATOM 951 NH1 ARG A 147 66.207 11.877 -6.133 1.00 2.32 N ATOM 952 NH2 ARG A 147 66.726 13.547 -4.699 1.00 2.22 N ATOM 0 H ARG A 147 67.405 10.398 0.810 1.00 0.54 H new ATOM 0 HA ARG A 147 65.202 9.002 -0.736 1.00 0.49 H new ATOM 0 HB2 ARG A 147 68.160 9.642 -1.304 1.00 0.57 H new ATOM 0 HB3 ARG A 147 67.124 8.731 -2.386 1.00 0.57 H new ATOM 0 HG2 ARG A 147 65.996 11.356 -1.509 1.00 0.78 H new ATOM 0 HG3 ARG A 147 67.447 11.479 -2.484 1.00 0.78 H new ATOM 0 HD2 ARG A 147 66.382 9.964 -4.222 1.00 0.73 H new ATOM 0 HD3 ARG A 147 64.921 9.909 -3.257 1.00 0.73 H new ATOM 0 HE ARG A 147 64.560 12.317 -3.661 1.00 1.07 H new ATOM 0 HH11 ARG A 147 65.724 11.001 -6.330 1.00 2.32 H new ATOM 0 HH12 ARG A 147 66.767 12.325 -6.858 1.00 2.32 H new ATOM 0 HH21 ARG A 147 66.648 13.975 -3.776 1.00 2.22 H new ATOM 0 HH22 ARG A 147 67.286 13.996 -5.424 1.00 2.22 H new ATOM 966 N ILE A 148 66.381 6.696 -0.546 1.00 0.35 N ATOM 967 CA ILE A 148 66.800 5.351 -0.053 1.00 0.36 C ATOM 968 C ILE A 148 67.339 4.517 -1.221 1.00 0.40 C ATOM 969 O ILE A 148 66.653 4.279 -2.195 1.00 0.41 O ATOM 970 CB ILE A 148 65.525 4.726 0.529 1.00 0.35 C ATOM 971 CG1 ILE A 148 65.336 5.216 1.969 1.00 0.40 C ATOM 972 CG2 ILE A 148 65.641 3.198 0.526 1.00 0.43 C ATOM 973 CD1 ILE A 148 64.256 4.382 2.660 1.00 0.40 C ATOM 0 H ILE A 148 65.844 6.691 -1.413 1.00 0.35 H new ATOM 0 HA ILE A 148 67.594 5.403 0.692 1.00 0.36 H new ATOM 0 HB ILE A 148 64.670 5.021 -0.080 1.00 0.35 H new ATOM 0 HG12 ILE A 148 66.275 5.137 2.516 1.00 0.40 H new ATOM 0 HG13 ILE A 148 65.053 6.269 1.971 1.00 0.40 H new ATOM 0 HG21 ILE A 148 64.732 2.763 0.941 1.00 0.43 H new ATOM 0 HG22 ILE A 148 65.778 2.846 -0.496 1.00 0.43 H new ATOM 0 HG23 ILE A 148 66.496 2.897 1.131 1.00 0.43 H new ATOM 0 HD11 ILE A 148 64.124 4.733 3.683 1.00 0.40 H new ATOM 0 HD12 ILE A 148 63.316 4.483 2.118 1.00 0.40 H new ATOM 0 HD13 ILE A 148 64.557 3.334 2.672 1.00 0.40 H new ATOM 985 N ASP A 149 68.564 4.072 -1.132 1.00 0.47 N ATOM 986 CA ASP A 149 69.138 3.257 -2.241 1.00 0.55 C ATOM 987 C ASP A 149 68.897 1.766 -1.984 1.00 0.58 C ATOM 988 O ASP A 149 68.079 1.390 -1.168 1.00 0.54 O ATOM 989 CB ASP A 149 70.635 3.574 -2.246 1.00 0.65 C ATOM 990 CG ASP A 149 71.208 3.398 -0.839 1.00 1.32 C ATOM 991 OD1 ASP A 149 71.467 2.266 -0.464 1.00 2.16 O ATOM 992 OD2 ASP A 149 71.382 4.398 -0.163 1.00 2.00 O ATOM 0 H ASP A 149 69.189 4.237 -0.343 1.00 0.47 H new ATOM 0 HA ASP A 149 68.677 3.489 -3.201 1.00 0.55 H new ATOM 0 HB2 ASP A 149 71.153 2.916 -2.944 1.00 0.65 H new ATOM 0 HB3 ASP A 149 70.798 4.595 -2.590 1.00 0.65 H new ATOM 997 N TYR A 150 69.596 0.914 -2.683 1.00 0.67 N ATOM 998 CA TYR A 150 69.400 -0.554 -2.488 1.00 0.73 C ATOM 999 C TYR A 150 69.887 -0.988 -1.101 1.00 0.75 C ATOM 1000 O TYR A 150 69.304 -1.848 -0.472 1.00 0.76 O ATOM 1001 CB TYR A 150 70.247 -1.210 -3.577 1.00 0.84 C ATOM 1002 CG TYR A 150 69.375 -2.112 -4.417 1.00 0.97 C ATOM 1003 CD1 TYR A 150 68.707 -1.599 -5.534 1.00 1.74 C ATOM 1004 CD2 TYR A 150 69.238 -3.463 -4.079 1.00 1.63 C ATOM 1005 CE1 TYR A 150 67.899 -2.437 -6.313 1.00 2.14 C ATOM 1006 CE2 TYR A 150 68.430 -4.300 -4.856 1.00 2.06 C ATOM 1007 CZ TYR A 150 67.761 -3.788 -5.975 1.00 2.02 C ATOM 1008 OH TYR A 150 66.963 -4.613 -6.741 1.00 2.63 O ATOM 0 H TYR A 150 70.295 1.169 -3.381 1.00 0.67 H new ATOM 0 HA TYR A 150 68.349 -0.837 -2.552 1.00 0.73 H new ATOM 0 HB2 TYR A 150 70.709 -0.446 -4.203 1.00 0.84 H new ATOM 0 HB3 TYR A 150 71.056 -1.785 -3.127 1.00 0.84 H new ATOM 0 HD1 TYR A 150 68.814 -0.557 -5.796 1.00 1.74 H new ATOM 0 HD2 TYR A 150 69.756 -3.860 -3.218 1.00 1.63 H new ATOM 0 HE1 TYR A 150 67.382 -2.040 -7.175 1.00 2.14 H new ATOM 0 HE2 TYR A 150 68.322 -5.342 -4.593 1.00 2.06 H new ATOM 0 HH TYR A 150 66.027 -4.338 -6.651 1.00 2.63 H new ATOM 1018 N ASP A 151 70.954 -0.410 -0.625 1.00 0.78 N ATOM 1019 CA ASP A 151 71.478 -0.801 0.716 1.00 0.82 C ATOM 1020 C ASP A 151 70.499 -0.390 1.820 1.00 0.74 C ATOM 1021 O ASP A 151 70.030 -1.210 2.585 1.00 0.76 O ATOM 1022 CB ASP A 151 72.798 -0.045 0.861 1.00 0.87 C ATOM 1023 CG ASP A 151 73.747 -0.454 -0.267 1.00 1.31 C ATOM 1024 OD1 ASP A 151 73.610 -1.562 -0.757 1.00 2.08 O ATOM 1025 OD2 ASP A 151 74.595 0.349 -0.622 1.00 1.67 O ATOM 0 H ASP A 151 71.486 0.316 -1.105 1.00 0.78 H new ATOM 0 HA ASP A 151 71.611 -1.879 0.804 1.00 0.82 H new ATOM 0 HB2 ASP A 151 72.619 1.030 0.828 1.00 0.87 H new ATOM 0 HB3 ASP A 151 73.250 -0.264 1.828 1.00 0.87 H new ATOM 1030 N GLU A 152 70.194 0.876 1.916 1.00 0.67 N ATOM 1031 CA GLU A 152 69.252 1.339 2.976 1.00 0.61 C ATOM 1032 C GLU A 152 67.898 0.636 2.836 1.00 0.58 C ATOM 1033 O GLU A 152 67.340 0.152 3.800 1.00 0.58 O ATOM 1034 CB GLU A 152 69.105 2.845 2.751 1.00 0.59 C ATOM 1035 CG GLU A 152 70.489 3.475 2.579 1.00 0.76 C ATOM 1036 CD GLU A 152 70.413 4.969 2.897 1.00 0.75 C ATOM 1037 OE1 GLU A 152 69.475 5.365 3.569 1.00 1.39 O ATOM 1038 OE2 GLU A 152 71.295 5.692 2.463 1.00 1.20 O ATOM 0 H GLU A 152 70.556 1.610 1.307 1.00 0.67 H new ATOM 0 HA GLU A 152 69.619 1.112 3.977 1.00 0.61 H new ATOM 0 HB2 GLU A 152 68.496 3.033 1.867 1.00 0.59 H new ATOM 0 HB3 GLU A 152 68.589 3.301 3.596 1.00 0.59 H new ATOM 0 HG2 GLU A 152 71.206 2.988 3.239 1.00 0.76 H new ATOM 0 HG3 GLU A 152 70.843 3.327 1.559 1.00 0.76 H new ATOM 1045 N PHE A 153 67.363 0.577 1.647 1.00 0.60 N ATOM 1046 CA PHE A 153 66.043 -0.094 1.453 1.00 0.61 C ATOM 1047 C PHE A 153 66.109 -1.548 1.932 1.00 0.66 C ATOM 1048 O PHE A 153 65.184 -2.055 2.535 1.00 0.71 O ATOM 1049 CB PHE A 153 65.787 -0.023 -0.058 1.00 0.64 C ATOM 1050 CG PHE A 153 64.806 -1.097 -0.472 1.00 0.68 C ATOM 1051 CD1 PHE A 153 65.257 -2.402 -0.707 1.00 1.18 C ATOM 1052 CD2 PHE A 153 63.449 -0.789 -0.624 1.00 1.47 C ATOM 1053 CE1 PHE A 153 64.351 -3.397 -1.096 1.00 1.24 C ATOM 1054 CE2 PHE A 153 62.542 -1.785 -1.010 1.00 1.55 C ATOM 1055 CZ PHE A 153 62.995 -3.088 -1.246 1.00 0.93 C ATOM 0 H PHE A 153 67.781 0.964 0.801 1.00 0.60 H new ATOM 0 HA PHE A 153 65.245 0.382 2.023 1.00 0.61 H new ATOM 0 HB2 PHE A 153 65.395 0.959 -0.322 1.00 0.64 H new ATOM 0 HB3 PHE A 153 66.725 -0.148 -0.599 1.00 0.64 H new ATOM 0 HD1 PHE A 153 66.303 -2.641 -0.588 1.00 1.18 H new ATOM 0 HD2 PHE A 153 63.101 0.217 -0.444 1.00 1.47 H new ATOM 0 HE1 PHE A 153 64.699 -4.403 -1.280 1.00 1.24 H new ATOM 0 HE2 PHE A 153 61.495 -1.547 -1.125 1.00 1.55 H new ATOM 0 HZ PHE A 153 62.297 -3.856 -1.544 1.00 0.93 H new ATOM 1065 N LEU A 154 67.191 -2.225 1.668 1.00 0.72 N ATOM 1066 CA LEU A 154 67.303 -3.643 2.110 1.00 0.80 C ATOM 1067 C LEU A 154 67.071 -3.746 3.619 1.00 0.79 C ATOM 1068 O LEU A 154 66.301 -4.561 4.084 1.00 0.82 O ATOM 1069 CB LEU A 154 68.730 -4.059 1.755 1.00 0.92 C ATOM 1070 CG LEU A 154 68.690 -5.148 0.683 1.00 0.85 C ATOM 1071 CD1 LEU A 154 69.783 -4.885 -0.353 1.00 1.74 C ATOM 1072 CD2 LEU A 154 68.923 -6.513 1.336 1.00 1.54 C ATOM 0 H LEU A 154 68.001 -1.859 1.167 1.00 0.72 H new ATOM 0 HA LEU A 154 66.563 -4.284 1.631 1.00 0.80 H new ATOM 0 HB2 LEU A 154 69.292 -3.198 1.393 1.00 0.92 H new ATOM 0 HB3 LEU A 154 69.245 -4.426 2.643 1.00 0.92 H new ATOM 0 HG LEU A 154 67.717 -5.140 0.193 1.00 0.85 H new ATOM 0 HD11 LEU A 154 69.754 -5.662 -1.117 1.00 1.74 H new ATOM 0 HD12 LEU A 154 69.618 -3.913 -0.817 1.00 1.74 H new ATOM 0 HD13 LEU A 154 70.757 -4.893 0.136 1.00 1.74 H new ATOM 0 HD21 LEU A 154 68.895 -7.291 0.573 1.00 1.54 H new ATOM 0 HD22 LEU A 154 69.897 -6.520 1.826 1.00 1.54 H new ATOM 0 HD23 LEU A 154 68.144 -6.701 2.075 1.00 1.54 H new ATOM 1084 N GLU A 155 67.731 -2.924 4.388 1.00 0.79 N ATOM 1085 CA GLU A 155 67.544 -2.977 5.865 1.00 0.82 C ATOM 1086 C GLU A 155 66.284 -2.204 6.264 1.00 0.81 C ATOM 1087 O GLU A 155 65.825 -2.283 7.386 1.00 0.90 O ATOM 1088 CB GLU A 155 68.791 -2.313 6.450 1.00 0.85 C ATOM 1089 CG GLU A 155 69.573 -3.333 7.280 1.00 0.95 C ATOM 1090 CD GLU A 155 70.901 -3.644 6.588 1.00 1.67 C ATOM 1091 OE1 GLU A 155 71.672 -2.720 6.387 1.00 2.47 O ATOM 1092 OE2 GLU A 155 71.126 -4.801 6.272 1.00 2.27 O ATOM 0 H GLU A 155 68.390 -2.219 4.058 1.00 0.79 H new ATOM 0 HA GLU A 155 67.420 -3.997 6.229 1.00 0.82 H new ATOM 0 HB2 GLU A 155 69.418 -1.924 5.648 1.00 0.85 H new ATOM 0 HB3 GLU A 155 68.506 -1.465 7.072 1.00 0.85 H new ATOM 0 HG2 GLU A 155 69.755 -2.940 8.280 1.00 0.95 H new ATOM 0 HG3 GLU A 155 68.989 -4.246 7.397 1.00 0.95 H new ATOM 1099 N PHE A 156 65.720 -1.460 5.351 1.00 0.75 N ATOM 1100 CA PHE A 156 64.487 -0.686 5.678 1.00 0.78 C ATOM 1101 C PHE A 156 63.334 -1.645 5.978 1.00 0.84 C ATOM 1102 O PHE A 156 62.686 -1.554 7.003 1.00 0.90 O ATOM 1103 CB PHE A 156 64.190 0.139 4.426 1.00 0.78 C ATOM 1104 CG PHE A 156 62.822 0.767 4.548 1.00 0.85 C ATOM 1105 CD1 PHE A 156 61.676 -0.009 4.342 1.00 1.66 C ATOM 1106 CD2 PHE A 156 62.700 2.126 4.867 1.00 1.27 C ATOM 1107 CE1 PHE A 156 60.407 0.572 4.456 1.00 1.77 C ATOM 1108 CE2 PHE A 156 61.431 2.707 4.979 1.00 1.31 C ATOM 1109 CZ PHE A 156 60.285 1.930 4.774 1.00 1.10 C ATOM 0 H PHE A 156 66.059 -1.355 4.395 1.00 0.75 H new ATOM 0 HA PHE A 156 64.614 -0.054 6.557 1.00 0.78 H new ATOM 0 HB2 PHE A 156 64.947 0.913 4.300 1.00 0.78 H new ATOM 0 HB3 PHE A 156 64.233 -0.496 3.541 1.00 0.78 H new ATOM 0 HD1 PHE A 156 61.770 -1.056 4.095 1.00 1.66 H new ATOM 0 HD2 PHE A 156 63.584 2.725 5.026 1.00 1.27 H new ATOM 0 HE1 PHE A 156 59.522 -0.027 4.299 1.00 1.77 H new ATOM 0 HE2 PHE A 156 61.336 3.755 5.224 1.00 1.31 H new ATOM 0 HZ PHE A 156 59.306 2.378 4.861 1.00 1.10 H new ATOM 1119 N MET A 157 63.076 -2.568 5.092 1.00 0.86 N ATOM 1120 CA MET A 157 61.967 -3.537 5.328 1.00 0.95 C ATOM 1121 C MET A 157 62.476 -4.738 6.133 1.00 0.99 C ATOM 1122 O MET A 157 61.734 -5.648 6.442 1.00 1.12 O ATOM 1123 CB MET A 157 61.517 -3.977 3.935 1.00 0.99 C ATOM 1124 CG MET A 157 60.159 -3.347 3.617 1.00 1.28 C ATOM 1125 SD MET A 157 59.276 -4.384 2.425 1.00 1.48 S ATOM 1126 CE MET A 157 60.079 -3.745 0.934 1.00 1.12 C ATOM 0 H MET A 157 63.584 -2.693 4.216 1.00 0.86 H new ATOM 0 HA MET A 157 61.149 -3.096 5.898 1.00 0.95 H new ATOM 0 HB2 MET A 157 62.254 -3.675 3.191 1.00 0.99 H new ATOM 0 HB3 MET A 157 61.446 -5.064 3.890 1.00 0.99 H new ATOM 0 HG2 MET A 157 59.572 -3.243 4.529 1.00 1.28 H new ATOM 0 HG3 MET A 157 60.297 -2.345 3.211 1.00 1.28 H new ATOM 0 HE1 MET A 157 59.338 -3.627 0.144 1.00 1.12 H new ATOM 0 HE2 MET A 157 60.534 -2.779 1.152 1.00 1.12 H new ATOM 0 HE3 MET A 157 60.849 -4.444 0.608 1.00 1.12 H new ATOM 1136 N LYS A 158 63.736 -4.745 6.476 1.00 0.94 N ATOM 1137 CA LYS A 158 64.290 -5.887 7.262 1.00 1.02 C ATOM 1138 C LYS A 158 64.208 -5.585 8.762 1.00 1.05 C ATOM 1139 O LYS A 158 64.409 -6.450 9.591 1.00 1.20 O ATOM 1140 CB LYS A 158 65.748 -6.007 6.817 1.00 1.07 C ATOM 1141 CG LYS A 158 66.217 -7.454 6.988 1.00 1.26 C ATOM 1142 CD LYS A 158 67.232 -7.795 5.895 1.00 1.53 C ATOM 1143 CE LYS A 158 67.397 -9.315 5.810 1.00 1.45 C ATOM 1144 NZ LYS A 158 66.588 -9.723 4.628 1.00 2.07 N ATOM 0 H LYS A 158 64.406 -4.011 6.247 1.00 0.94 H new ATOM 0 HA LYS A 158 63.737 -6.811 7.093 1.00 1.02 H new ATOM 0 HB2 LYS A 158 65.848 -5.702 5.775 1.00 1.07 H new ATOM 0 HB3 LYS A 158 66.375 -5.338 7.406 1.00 1.07 H new ATOM 0 HG2 LYS A 158 66.667 -7.587 7.972 1.00 1.26 H new ATOM 0 HG3 LYS A 158 65.366 -8.132 6.933 1.00 1.26 H new ATOM 0 HD2 LYS A 158 66.896 -7.400 4.936 1.00 1.53 H new ATOM 0 HD3 LYS A 158 68.191 -7.326 6.115 1.00 1.53 H new ATOM 0 HE2 LYS A 158 68.444 -9.592 5.687 1.00 1.45 H new ATOM 0 HE3 LYS A 158 67.043 -9.802 6.718 1.00 1.45 H new ATOM 0 HZ1 LYS A 158 66.651 -10.754 4.503 1.00 2.07 H new ATOM 0 HZ2 LYS A 158 65.595 -9.452 4.777 1.00 2.07 H new ATOM 0 HZ3 LYS A 158 66.953 -9.249 3.777 1.00 2.07 H new ATOM 1158 N GLY A 159 63.914 -4.364 9.115 1.00 1.04 N ATOM 1159 CA GLY A 159 63.819 -4.004 10.559 1.00 1.14 C ATOM 1160 C GLY A 159 63.150 -2.637 10.700 1.00 1.14 C ATOM 1161 O GLY A 159 63.808 -1.626 10.858 1.00 1.38 O ATOM 0 H GLY A 159 63.735 -3.598 8.465 1.00 1.04 H new ATOM 0 HA2 GLY A 159 63.245 -4.759 11.096 1.00 1.14 H new ATOM 0 HA3 GLY A 159 64.813 -3.982 11.006 1.00 1.14 H new ATOM 1165 N VAL A 160 61.847 -2.594 10.642 1.00 1.42 N ATOM 1166 CA VAL A 160 61.135 -1.286 10.771 1.00 1.48 C ATOM 1167 C VAL A 160 60.337 -1.251 12.076 1.00 1.88 C ATOM 1168 O VAL A 160 59.331 -1.918 12.217 1.00 2.37 O ATOM 1169 CB VAL A 160 60.177 -1.181 9.565 1.00 1.32 C ATOM 1170 CG1 VAL A 160 60.427 0.140 8.835 1.00 1.35 C ATOM 1171 CG2 VAL A 160 60.392 -2.340 8.580 1.00 1.49 C ATOM 0 H VAL A 160 61.243 -3.406 10.511 1.00 1.42 H new ATOM 0 HA VAL A 160 61.840 -0.455 10.786 1.00 1.48 H new ATOM 0 HB VAL A 160 59.154 -1.226 9.938 1.00 1.32 H new ATOM 0 HG11 VAL A 160 59.752 0.218 7.982 1.00 1.35 H new ATOM 0 HG12 VAL A 160 60.248 0.972 9.516 1.00 1.35 H new ATOM 0 HG13 VAL A 160 61.459 0.173 8.485 1.00 1.35 H new ATOM 0 HG21 VAL A 160 59.703 -2.238 7.742 1.00 1.49 H new ATOM 0 HG22 VAL A 160 61.417 -2.319 8.211 1.00 1.49 H new ATOM 0 HG23 VAL A 160 60.209 -3.287 9.087 1.00 1.49 H new ATOM 1181 N GLU A 161 60.776 -0.479 13.033 1.00 2.17 N ATOM 1182 CA GLU A 161 60.037 -0.405 14.326 1.00 2.67 C ATOM 1183 C GLU A 161 59.488 1.008 14.540 1.00 3.21 C ATOM 1184 O GLU A 161 59.707 1.551 15.611 1.00 3.74 O ATOM 1185 CB GLU A 161 61.073 -0.747 15.396 1.00 3.19 C ATOM 1186 CG GLU A 161 60.366 -0.994 16.730 1.00 3.64 C ATOM 1187 CD GLU A 161 61.378 -1.492 17.762 1.00 4.40 C ATOM 1188 OE1 GLU A 161 62.012 -2.502 17.502 1.00 5.03 O ATOM 1189 OE2 GLU A 161 61.502 -0.857 18.796 1.00 4.73 O ATOM 1190 OXT GLU A 161 58.859 1.523 13.631 1.00 3.58 O ATOM 0 H GLU A 161 61.612 0.102 12.976 1.00 2.17 H new ATOM 0 HA GLU A 161 59.185 -1.084 14.354 1.00 2.67 H new ATOM 0 HB2 GLU A 161 61.637 -1.632 15.102 1.00 3.19 H new ATOM 0 HB3 GLU A 161 61.789 0.068 15.497 1.00 3.19 H new ATOM 0 HG2 GLU A 161 59.897 -0.075 17.080 1.00 3.64 H new ATOM 0 HG3 GLU A 161 59.571 -1.729 16.601 1.00 3.64 H new TER 1197 GLU A 161 HETATM 1198 CA CA A 1 63.278 7.618 -7.165 1.00 0.50 CA HETATM 1199 CA CA A 2 69.468 7.524 2.076 1.00 0.74 CA