USER MOD reduce.3.24.130724 H: found=0, std=0, add=621, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 624 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 162 CACA :(metal ligand) USER MOD NoAdj : A 107 ASNHD22 : A 107 ASN OD1 : A 162 CACA :(metal ligand) USER MOD Single : A 81 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 84 CYS SG : rot 180:sc= 0 USER MOD Single : A 85 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 90 LYS NZ :NH3+ -161:sc=-0.000552 (180deg=-0.11) USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 THR OG1 : rot 180:sc= 0 USER MOD Single : A 98 SER OG : rot -110:sc= -0.916 USER MOD Single : A 103 MET CE :methyl -173:sc= -0.116 (180deg=-0.204) USER MOD Single : A 106 LYS NZ :NH3+ 147:sc=-0.00758 (180deg=-0.135) USER MOD Single : A 111 TYR OH : rot 180:sc= 0 USER MOD Single : A 118 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 120 MET CE :methyl -139:sc= -1.09 (180deg=-4.33!) USER MOD Single : A 122 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 124 THR OG1 : rot -66:sc= 1.18 USER MOD Single : A 127 THR OG1 : rot 29:sc= 0.239 USER MOD Single : A 129 THR OG1 : rot 180:sc= -0.255 USER MOD Single : A 137 MET CE :methyl 147:sc= -3.27 (180deg=-8.98!) 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 143 ASN : amide:sc= -0.249 K(o=-0.25,f=-2.2) USER MOD Single : A 144 ASN : amide:sc= -0.264 K(o=-0.26,f=-2.5!) USER MOD Single : A 150 TYR OH : rot 180:sc= 0 USER MOD Single : A 157 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 158 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 81 89.211 -13.932 4.152 1.00 0.00 N ATOM 2 CA MET A 81 90.013 -14.343 5.334 1.00 0.00 C ATOM 3 C MET A 81 91.333 -13.578 5.396 1.00 0.00 C ATOM 4 O MET A 81 91.598 -12.855 6.357 1.00 0.00 O ATOM 5 CB MET A 81 90.275 -15.849 5.243 1.00 0.00 C ATOM 6 CG MET A 81 89.853 -16.615 6.486 1.00 0.00 C ATOM 7 SD MET A 81 88.222 -17.365 6.317 1.00 0.00 S ATOM 8 CE MET A 81 88.383 -18.774 7.411 1.00 0.00 C ATOM 0 HA MET A 81 89.459 -14.113 6.244 1.00 0.00 H new ATOM 0 HB2 MET A 81 89.743 -16.251 4.381 1.00 0.00 H new ATOM 0 HB3 MET A 81 91.338 -16.015 5.067 1.00 0.00 H new ATOM 0 HG2 MET A 81 90.587 -17.393 6.695 1.00 0.00 H new ATOM 0 HG3 MET A 81 89.852 -15.940 7.342 1.00 0.00 H new ATOM 0 HE1 MET A 81 87.452 -19.340 7.415 1.00 0.00 H new ATOM 0 HE2 MET A 81 89.195 -19.413 7.064 1.00 0.00 H new ATOM 0 HE3 MET A 81 88.601 -18.427 8.421 1.00 0.00 H new ATOM 20 N VAL A 82 92.156 -13.743 4.365 1.00 0.00 N ATOM 21 CA VAL A 82 93.446 -13.068 4.302 1.00 0.00 C ATOM 22 C VAL A 82 93.489 -12.073 3.146 1.00 0.00 C ATOM 23 O VAL A 82 93.048 -12.375 2.037 1.00 0.00 O ATOM 24 CB VAL A 82 94.602 -14.077 4.146 1.00 0.00 C ATOM 25 CG1 VAL A 82 94.465 -14.855 2.846 1.00 0.00 C ATOM 26 CG2 VAL A 82 95.946 -13.369 4.216 1.00 0.00 C ATOM 0 H VAL A 82 91.952 -14.338 3.562 1.00 0.00 H new ATOM 0 HA VAL A 82 93.570 -12.531 5.243 1.00 0.00 H new ATOM 0 HB VAL A 82 94.550 -14.787 4.972 1.00 0.00 H new ATOM 0 HG11 VAL A 82 95.290 -15.561 2.756 1.00 0.00 H new ATOM 0 HG12 VAL A 82 93.520 -15.399 2.845 1.00 0.00 H new ATOM 0 HG13 VAL A 82 94.486 -14.163 2.004 1.00 0.00 H new ATOM 0 HG21 VAL A 82 96.748 -14.099 4.104 1.00 0.00 H new ATOM 0 HG22 VAL A 82 96.011 -12.632 3.415 1.00 0.00 H new ATOM 0 HG23 VAL A 82 96.044 -12.868 5.179 1.00 0.00 H new ATOM 36 N ARG A 83 94.023 -10.885 3.412 1.00 0.00 N ATOM 37 CA ARG A 83 94.125 -9.847 2.394 1.00 0.00 C ATOM 38 C ARG A 83 95.257 -8.877 2.716 1.00 0.00 C ATOM 39 O ARG A 83 95.126 -8.026 3.594 1.00 0.00 O ATOM 40 CB ARG A 83 92.802 -9.086 2.280 1.00 0.00 C ATOM 41 CG ARG A 83 92.662 -8.302 0.983 1.00 0.00 C ATOM 42 CD ARG A 83 91.799 -7.064 1.169 1.00 0.00 C ATOM 43 NE ARG A 83 92.599 -5.839 1.190 1.00 0.00 N ATOM 44 CZ ARG A 83 92.093 -4.621 1.018 1.00 0.00 C ATOM 45 NH1 ARG A 83 90.792 -4.459 0.812 1.00 0.00 N ATOM 46 NH2 ARG A 83 92.889 -3.562 1.052 1.00 0.00 N ATOM 0 H ARG A 83 94.392 -10.618 4.325 1.00 0.00 H new ATOM 0 HA ARG A 83 94.344 -10.328 1.441 1.00 0.00 H new ATOM 0 HB2 ARG A 83 91.977 -9.794 2.358 1.00 0.00 H new ATOM 0 HB3 ARG A 83 92.713 -8.399 3.122 1.00 0.00 H new ATOM 0 HG2 ARG A 83 93.649 -8.008 0.626 1.00 0.00 H new ATOM 0 HG3 ARG A 83 92.223 -8.941 0.216 1.00 0.00 H new ATOM 0 HD2 ARG A 83 91.068 -7.006 0.362 1.00 0.00 H new ATOM 0 HD3 ARG A 83 91.239 -7.148 2.101 1.00 0.00 H new ATOM 0 HE ARG A 83 93.603 -5.924 1.346 1.00 0.00 H new ATOM 0 HH11 ARG A 83 90.175 -5.271 0.785 1.00 0.00 H new ATOM 0 HH12 ARG A 83 90.409 -3.523 0.681 1.00 0.00 H new ATOM 0 HH21 ARG A 83 93.890 -3.681 1.210 1.00 0.00 H new ATOM 0 HH22 ARG A 83 92.501 -2.628 0.920 1.00 0.00 H new ATOM 60 N CYS A 84 96.367 -9.014 1.999 1.00 0.00 N ATOM 61 CA CYS A 84 97.523 -8.151 2.209 1.00 0.00 C ATOM 62 C CYS A 84 98.047 -8.278 3.636 1.00 0.00 C ATOM 63 O CYS A 84 97.918 -7.355 4.441 1.00 0.00 O ATOM 64 CB CYS A 84 97.159 -6.694 1.914 1.00 0.00 C ATOM 65 SG CYS A 84 97.291 -6.239 0.169 1.00 0.00 S ATOM 0 H CYS A 84 96.490 -9.714 1.268 1.00 0.00 H new ATOM 0 HA CYS A 84 98.309 -8.468 1.524 1.00 0.00 H new ATOM 0 HB2 CYS A 84 96.138 -6.510 2.250 1.00 0.00 H new ATOM 0 HB3 CYS A 84 97.809 -6.043 2.498 1.00 0.00 H new ATOM 0 HG CYS A 84 96.961 -4.990 0.020 1.00 0.00 H new ATOM 71 N MET A 85 98.638 -9.428 3.944 1.00 0.00 N ATOM 72 CA MET A 85 99.181 -9.676 5.274 1.00 0.00 C ATOM 73 C MET A 85 100.298 -10.714 5.222 1.00 0.00 C ATOM 74 O MET A 85 100.086 -11.886 5.534 1.00 0.00 O ATOM 75 CB MET A 85 98.074 -10.147 6.220 1.00 0.00 C ATOM 76 CG MET A 85 98.515 -10.252 7.670 1.00 0.00 C ATOM 77 SD MET A 85 97.763 -11.649 8.526 1.00 0.00 S ATOM 78 CE MET A 85 98.268 -11.325 10.214 1.00 0.00 C ATOM 0 H MET A 85 98.753 -10.203 3.290 1.00 0.00 H new ATOM 0 HA MET A 85 99.597 -8.741 5.649 1.00 0.00 H new ATOM 0 HB2 MET A 85 97.233 -9.456 6.154 1.00 0.00 H new ATOM 0 HB3 MET A 85 97.714 -11.120 5.887 1.00 0.00 H new ATOM 0 HG2 MET A 85 99.600 -10.348 7.709 1.00 0.00 H new ATOM 0 HG3 MET A 85 98.258 -9.330 8.192 1.00 0.00 H new ATOM 0 HE1 MET A 85 97.878 -12.106 10.867 1.00 0.00 H new ATOM 0 HE2 MET A 85 99.356 -11.313 10.272 1.00 0.00 H new ATOM 0 HE3 MET A 85 97.877 -10.358 10.532 1.00 0.00 H new ATOM 88 N LYS A 86 101.487 -10.275 4.824 1.00 0.00 N ATOM 89 CA LYS A 86 102.639 -11.166 4.729 1.00 0.00 C ATOM 90 C LYS A 86 103.526 -11.038 5.964 1.00 0.00 C ATOM 91 O LYS A 86 103.484 -10.030 6.670 1.00 0.00 O ATOM 92 CB LYS A 86 103.447 -10.856 3.467 1.00 0.00 C ATOM 93 CG LYS A 86 103.396 -11.964 2.427 1.00 0.00 C ATOM 94 CD LYS A 86 104.402 -13.062 2.732 1.00 0.00 C ATOM 95 CE LYS A 86 104.455 -14.094 1.617 1.00 0.00 C ATOM 96 NZ LYS A 86 103.644 -15.301 1.939 1.00 0.00 N ATOM 0 H LYS A 86 101.679 -9.308 4.562 1.00 0.00 H new ATOM 0 HA LYS A 86 102.273 -12.191 4.672 1.00 0.00 H new ATOM 0 HB2 LYS A 86 103.072 -9.934 3.023 1.00 0.00 H new ATOM 0 HB3 LYS A 86 104.486 -10.677 3.745 1.00 0.00 H new ATOM 0 HG2 LYS A 86 102.392 -12.388 2.394 1.00 0.00 H new ATOM 0 HG3 LYS A 86 103.598 -11.548 1.440 1.00 0.00 H new ATOM 0 HD2 LYS A 86 105.390 -12.623 2.871 1.00 0.00 H new ATOM 0 HD3 LYS A 86 104.136 -13.551 3.669 1.00 0.00 H new ATOM 0 HE2 LYS A 86 104.090 -13.648 0.692 1.00 0.00 H new ATOM 0 HE3 LYS A 86 105.490 -14.388 1.443 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 103.706 -15.980 1.154 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 104.007 -15.742 2.808 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 102.651 -15.025 2.080 1.00 0.00 H new ATOM 110 N ASP A 87 104.328 -12.065 6.219 1.00 0.00 N ATOM 111 CA ASP A 87 105.225 -12.069 7.368 1.00 0.00 C ATOM 112 C ASP A 87 106.640 -11.682 6.953 1.00 0.00 C ATOM 113 O ASP A 87 107.619 -12.141 7.543 1.00 0.00 O ATOM 114 CB ASP A 87 105.234 -13.448 8.030 1.00 0.00 C ATOM 115 CG ASP A 87 105.636 -14.548 7.066 1.00 0.00 C ATOM 116 OD1 ASP A 87 106.811 -14.566 6.640 1.00 0.00 O ATOM 117 OD2 ASP A 87 104.776 -15.391 6.737 1.00 0.00 O ATOM 0 H ASP A 87 104.375 -12.907 5.645 1.00 0.00 H new ATOM 0 HA ASP A 87 104.861 -11.333 8.085 1.00 0.00 H new ATOM 0 HB2 ASP A 87 105.923 -13.438 8.874 1.00 0.00 H new ATOM 0 HB3 ASP A 87 104.243 -13.663 8.430 1.00 0.00 H new ATOM 122 N ASP A 88 106.743 -10.834 5.934 1.00 0.00 N ATOM 123 CA ASP A 88 108.039 -10.384 5.440 1.00 0.00 C ATOM 124 C ASP A 88 108.560 -9.215 6.269 1.00 0.00 C ATOM 125 O ASP A 88 108.680 -8.093 5.775 1.00 0.00 O ATOM 126 CB ASP A 88 107.933 -9.978 3.970 1.00 0.00 C ATOM 127 CG ASP A 88 106.970 -8.826 3.756 1.00 0.00 C ATOM 128 OD1 ASP A 88 105.803 -8.940 4.189 1.00 0.00 O ATOM 129 OD2 ASP A 88 107.382 -7.812 3.156 1.00 0.00 O ATOM 0 H ASP A 88 105.944 -10.445 5.434 1.00 0.00 H new ATOM 0 HA ASP A 88 108.743 -11.211 5.530 1.00 0.00 H new ATOM 0 HB2 ASP A 88 108.919 -9.696 3.602 1.00 0.00 H new ATOM 0 HB3 ASP A 88 107.606 -10.835 3.382 1.00 0.00 H new ATOM 134 N SER A 89 108.868 -9.483 7.534 1.00 0.00 N ATOM 135 CA SER A 89 109.375 -8.454 8.433 1.00 0.00 C ATOM 136 C SER A 89 110.891 -8.315 8.306 1.00 0.00 C ATOM 137 O SER A 89 111.619 -8.411 9.293 1.00 0.00 O ATOM 138 CB SER A 89 108.998 -8.781 9.879 1.00 0.00 C ATOM 139 OG SER A 89 107.752 -9.455 9.941 1.00 0.00 O ATOM 0 H SER A 89 108.775 -10.405 7.959 1.00 0.00 H new ATOM 0 HA SER A 89 108.919 -7.505 8.152 1.00 0.00 H new ATOM 0 HB2 SER A 89 109.773 -9.401 10.329 1.00 0.00 H new ATOM 0 HB3 SER A 89 108.947 -7.861 10.462 1.00 0.00 H new ATOM 0 HG SER A 89 107.534 -9.654 10.875 1.00 0.00 H new ATOM 145 N LYS A 90 111.358 -8.089 7.082 1.00 0.00 N ATOM 146 CA LYS A 90 112.786 -7.938 6.826 1.00 0.00 C ATOM 147 C LYS A 90 113.208 -6.476 6.948 1.00 0.00 C ATOM 148 O LYS A 90 112.955 -5.670 6.052 1.00 0.00 O ATOM 149 CB LYS A 90 113.134 -8.471 5.434 1.00 0.00 C ATOM 150 CG LYS A 90 113.980 -9.735 5.461 1.00 0.00 C ATOM 151 CD LYS A 90 113.173 -10.963 5.059 1.00 0.00 C ATOM 152 CE LYS A 90 113.778 -11.659 3.850 1.00 0.00 C ATOM 153 NZ LYS A 90 113.752 -10.791 2.640 1.00 0.00 N ATOM 0 H LYS A 90 110.769 -8.007 6.253 1.00 0.00 H new ATOM 0 HA LYS A 90 113.329 -8.516 7.573 1.00 0.00 H new ATOM 0 HB2 LYS A 90 112.211 -8.673 4.890 1.00 0.00 H new ATOM 0 HB3 LYS A 90 113.668 -7.698 4.881 1.00 0.00 H new ATOM 0 HG2 LYS A 90 114.828 -9.620 4.786 1.00 0.00 H new ATOM 0 HG3 LYS A 90 114.387 -9.879 6.462 1.00 0.00 H new ATOM 0 HD2 LYS A 90 113.128 -11.660 5.896 1.00 0.00 H new ATOM 0 HD3 LYS A 90 112.148 -10.668 4.835 1.00 0.00 H new ATOM 0 HE2 LYS A 90 114.807 -11.943 4.071 1.00 0.00 H new ATOM 0 HE3 LYS A 90 113.230 -12.579 3.649 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 113.862 -11.378 1.789 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 112.845 -10.284 2.596 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 114.531 -10.103 2.689 1.00 0.00 H new ATOM 167 N GLY A 91 113.852 -6.140 8.060 1.00 0.00 N ATOM 168 CA GLY A 91 114.299 -4.776 8.274 1.00 0.00 C ATOM 169 C GLY A 91 115.452 -4.398 7.369 1.00 0.00 C ATOM 170 O GLY A 91 116.120 -5.266 6.805 1.00 0.00 O ATOM 0 H GLY A 91 114.073 -6.787 8.817 1.00 0.00 H new ATOM 0 HA2 GLY A 91 113.467 -4.093 8.103 1.00 0.00 H new ATOM 0 HA3 GLY A 91 114.602 -4.655 9.314 1.00 0.00 H new ATOM 174 N LYS A 92 115.688 -3.098 7.224 1.00 0.00 N ATOM 175 CA LYS A 92 116.770 -2.605 6.376 1.00 0.00 C ATOM 176 C LYS A 92 118.132 -2.850 7.024 1.00 0.00 C ATOM 177 O LYS A 92 118.868 -1.908 7.320 1.00 0.00 O ATOM 178 CB LYS A 92 116.584 -1.114 6.093 1.00 0.00 C ATOM 179 CG LYS A 92 115.587 -0.825 4.982 1.00 0.00 C ATOM 180 CD LYS A 92 114.705 0.367 5.318 1.00 0.00 C ATOM 181 CE LYS A 92 113.479 0.424 4.423 1.00 0.00 C ATOM 182 NZ LYS A 92 113.692 1.307 3.243 1.00 0.00 N ATOM 0 H LYS A 92 115.145 -2.366 7.682 1.00 0.00 H new ATOM 0 HA LYS A 92 116.737 -3.153 5.434 1.00 0.00 H new ATOM 0 HB2 LYS A 92 116.252 -0.618 7.005 1.00 0.00 H new ATOM 0 HB3 LYS A 92 117.548 -0.680 5.827 1.00 0.00 H new ATOM 0 HG2 LYS A 92 116.123 -0.631 4.053 1.00 0.00 H new ATOM 0 HG3 LYS A 92 114.964 -1.703 4.814 1.00 0.00 H new ATOM 0 HD2 LYS A 92 114.393 0.307 6.361 1.00 0.00 H new ATOM 0 HD3 LYS A 92 115.279 1.287 5.209 1.00 0.00 H new ATOM 0 HE2 LYS A 92 113.231 -0.582 4.084 1.00 0.00 H new ATOM 0 HE3 LYS A 92 112.627 0.786 4.998 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 112.832 1.318 2.658 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 113.904 2.273 3.566 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 114.489 0.948 2.680 1.00 0.00 H new ATOM 196 N THR A 93 118.456 -4.120 7.248 1.00 0.00 N ATOM 197 CA THR A 93 119.725 -4.490 7.867 1.00 0.00 C ATOM 198 C THR A 93 120.714 -5.001 6.816 1.00 0.00 C ATOM 199 O THR A 93 121.515 -4.235 6.281 1.00 0.00 O ATOM 200 CB THR A 93 119.492 -5.550 8.950 1.00 0.00 C ATOM 201 OG1 THR A 93 118.709 -5.021 10.004 1.00 0.00 O ATOM 202 CG2 THR A 93 120.771 -6.085 9.556 1.00 0.00 C ATOM 0 H THR A 93 117.857 -4.911 7.010 1.00 0.00 H new ATOM 0 HA THR A 93 120.156 -3.603 8.332 1.00 0.00 H new ATOM 0 HB THR A 93 118.981 -6.369 8.445 1.00 0.00 H new ATOM 0 HG1 THR A 93 118.569 -5.711 10.685 1.00 0.00 H new ATOM 0 HG21 THR A 93 120.530 -6.830 10.314 1.00 0.00 H new ATOM 0 HG22 THR A 93 121.379 -6.544 8.776 1.00 0.00 H new ATOM 0 HG23 THR A 93 121.326 -5.267 10.015 1.00 0.00 H new ATOM 210 N GLU A 94 120.658 -6.301 6.527 1.00 0.00 N ATOM 211 CA GLU A 94 121.549 -6.905 5.543 1.00 0.00 C ATOM 212 C GLU A 94 121.002 -6.719 4.132 1.00 0.00 C ATOM 213 O GLU A 94 121.761 -6.600 3.169 1.00 0.00 O ATOM 214 CB GLU A 94 121.726 -8.395 5.839 1.00 0.00 C ATOM 215 CG GLU A 94 122.774 -8.685 6.901 1.00 0.00 C ATOM 216 CD GLU A 94 122.163 -9.114 8.222 1.00 0.00 C ATOM 217 OE1 GLU A 94 121.385 -10.092 8.224 1.00 0.00 O ATOM 218 OE2 GLU A 94 122.462 -8.475 9.251 1.00 0.00 O ATOM 0 H GLU A 94 120.005 -6.953 6.961 1.00 0.00 H new ATOM 0 HA GLU A 94 122.517 -6.408 5.608 1.00 0.00 H new ATOM 0 HB2 GLU A 94 120.770 -8.809 6.161 1.00 0.00 H new ATOM 0 HB3 GLU A 94 122.002 -8.909 4.918 1.00 0.00 H new ATOM 0 HG2 GLU A 94 123.442 -9.468 6.543 1.00 0.00 H new ATOM 0 HG3 GLU A 94 123.382 -7.794 7.059 1.00 0.00 H new ATOM 225 N GLU A 95 119.678 -6.698 4.020 1.00 0.00 N ATOM 226 CA GLU A 95 119.018 -6.528 2.731 1.00 0.00 C ATOM 227 C GLU A 95 119.231 -5.117 2.190 1.00 0.00 C ATOM 228 O GLU A 95 119.237 -4.902 0.979 1.00 0.00 O ATOM 229 CB GLU A 95 117.522 -6.817 2.858 1.00 0.00 C ATOM 230 CG GLU A 95 117.153 -8.261 2.557 1.00 0.00 C ATOM 231 CD GLU A 95 116.950 -8.514 1.077 1.00 0.00 C ATOM 232 OE1 GLU A 95 117.897 -8.273 0.298 1.00 0.00 O ATOM 233 OE2 GLU A 95 115.845 -8.951 0.694 1.00 0.00 O ATOM 0 H GLU A 95 119.039 -6.797 4.809 1.00 0.00 H new ATOM 0 HA GLU A 95 119.460 -7.236 2.030 1.00 0.00 H new ATOM 0 HB2 GLU A 95 117.198 -6.571 3.869 1.00 0.00 H new ATOM 0 HB3 GLU A 95 116.975 -6.162 2.180 1.00 0.00 H new ATOM 0 HG2 GLU A 95 117.939 -8.918 2.930 1.00 0.00 H new ATOM 0 HG3 GLU A 95 116.240 -8.519 3.094 1.00 0.00 H new ATOM 240 N GLU A 96 119.403 -4.160 3.095 1.00 0.00 N ATOM 241 CA GLU A 96 119.614 -2.771 2.707 1.00 0.00 C ATOM 242 C GLU A 96 121.027 -2.561 2.165 1.00 0.00 C ATOM 243 O GLU A 96 121.273 -1.641 1.386 1.00 0.00 O ATOM 244 CB GLU A 96 119.359 -1.843 3.901 1.00 0.00 C ATOM 245 CG GLU A 96 120.448 -1.881 4.963 1.00 0.00 C ATOM 246 CD GLU A 96 120.623 -0.548 5.665 1.00 0.00 C ATOM 247 OE1 GLU A 96 119.623 0.185 5.805 1.00 0.00 O ATOM 248 OE2 GLU A 96 121.762 -0.239 6.074 1.00 0.00 O ATOM 0 H GLU A 96 119.400 -4.321 4.102 1.00 0.00 H new ATOM 0 HA GLU A 96 118.908 -2.529 1.913 1.00 0.00 H new ATOM 0 HB2 GLU A 96 119.257 -0.821 3.537 1.00 0.00 H new ATOM 0 HB3 GLU A 96 118.409 -2.114 4.361 1.00 0.00 H new ATOM 0 HG2 GLU A 96 120.206 -2.647 5.700 1.00 0.00 H new ATOM 0 HG3 GLU A 96 121.392 -2.171 4.501 1.00 0.00 H new ATOM 255 N LEU A 97 121.952 -3.421 2.587 1.00 0.00 N ATOM 256 CA LEU A 97 123.343 -3.331 2.149 1.00 0.00 C ATOM 257 C LEU A 97 123.444 -3.292 0.626 1.00 0.00 C ATOM 258 O LEU A 97 124.391 -2.733 0.073 1.00 0.00 O ATOM 259 CB LEU A 97 124.145 -4.517 2.692 1.00 0.00 C ATOM 260 CG LEU A 97 124.307 -4.546 4.213 1.00 0.00 C ATOM 261 CD1 LEU A 97 124.841 -5.896 4.665 1.00 0.00 C ATOM 262 CD2 LEU A 97 125.227 -3.425 4.671 1.00 0.00 C ATOM 0 H LEU A 97 121.763 -4.188 3.232 1.00 0.00 H new ATOM 0 HA LEU A 97 123.758 -2.403 2.542 1.00 0.00 H new ATOM 0 HB2 LEU A 97 123.659 -5.440 2.376 1.00 0.00 H new ATOM 0 HB3 LEU A 97 125.135 -4.506 2.236 1.00 0.00 H new ATOM 0 HG LEU A 97 123.328 -4.394 4.669 1.00 0.00 H new ATOM 0 HD11 LEU A 97 124.950 -5.899 5.750 1.00 0.00 H new ATOM 0 HD12 LEU A 97 124.145 -6.681 4.368 1.00 0.00 H new ATOM 0 HD13 LEU A 97 125.811 -6.077 4.202 1.00 0.00 H new ATOM 0 HD21 LEU A 97 125.331 -3.460 5.755 1.00 0.00 H new ATOM 0 HD22 LEU A 97 126.206 -3.546 4.208 1.00 0.00 H new ATOM 0 HD23 LEU A 97 124.804 -2.464 4.378 1.00 0.00 H new ATOM 274 N SER A 98 122.466 -3.888 -0.049 1.00 0.00 N ATOM 275 CA SER A 98 122.453 -3.918 -1.506 1.00 0.00 C ATOM 276 C SER A 98 121.992 -2.579 -2.074 1.00 0.00 C ATOM 277 O SER A 98 122.549 -2.086 -3.055 1.00 0.00 O ATOM 278 CB SER A 98 121.540 -5.038 -2.008 1.00 0.00 C ATOM 279 OG SER A 98 120.367 -5.134 -1.218 1.00 0.00 O ATOM 0 H SER A 98 121.673 -4.356 0.390 1.00 0.00 H new ATOM 0 HA SER A 98 123.470 -4.108 -1.848 1.00 0.00 H new ATOM 0 HB2 SER A 98 121.268 -4.851 -3.047 1.00 0.00 H new ATOM 0 HB3 SER A 98 122.076 -5.987 -1.984 1.00 0.00 H new ATOM 0 HG SER A 98 120.395 -5.959 -0.689 1.00 0.00 H new ATOM 285 N ASP A 99 120.972 -1.997 -1.452 1.00 0.00 N ATOM 286 CA ASP A 99 120.436 -0.716 -1.896 1.00 0.00 C ATOM 287 C ASP A 99 121.393 0.423 -1.554 1.00 0.00 C ATOM 288 O ASP A 99 121.519 1.388 -2.308 1.00 0.00 O ATOM 289 CB ASP A 99 119.069 -0.461 -1.255 1.00 0.00 C ATOM 290 CG ASP A 99 117.926 -0.724 -2.216 1.00 0.00 C ATOM 291 OD1 ASP A 99 117.478 -1.887 -2.304 1.00 0.00 O ATOM 292 OD2 ASP A 99 117.478 0.233 -2.883 1.00 0.00 O ATOM 0 H ASP A 99 120.500 -2.392 -0.639 1.00 0.00 H new ATOM 0 HA ASP A 99 120.320 -0.755 -2.979 1.00 0.00 H new ATOM 0 HB2 ASP A 99 118.957 -1.098 -0.377 1.00 0.00 H new ATOM 0 HB3 ASP A 99 119.019 0.571 -0.908 1.00 0.00 H new ATOM 297 N LEU A 100 122.066 0.303 -0.414 1.00 0.00 N ATOM 298 CA LEU A 100 123.012 1.322 0.025 1.00 0.00 C ATOM 299 C LEU A 100 124.297 1.274 -0.800 1.00 0.00 C ATOM 300 O LEU A 100 125.044 2.250 -0.859 1.00 0.00 O ATOM 301 CB LEU A 100 123.335 1.142 1.511 1.00 0.00 C ATOM 302 CG LEU A 100 122.586 2.083 2.454 1.00 0.00 C ATOM 303 CD1 LEU A 100 122.727 1.618 3.895 1.00 0.00 C ATOM 304 CD2 LEU A 100 123.097 3.509 2.300 1.00 0.00 C ATOM 0 H LEU A 100 121.974 -0.489 0.222 1.00 0.00 H new ATOM 0 HA LEU A 100 122.548 2.297 -0.124 1.00 0.00 H new ATOM 0 HB2 LEU A 100 123.110 0.114 1.794 1.00 0.00 H new ATOM 0 HB3 LEU A 100 124.406 1.285 1.654 1.00 0.00 H new ATOM 0 HG LEU A 100 121.529 2.066 2.190 1.00 0.00 H new ATOM 0 HD11 LEU A 100 122.187 2.300 4.552 1.00 0.00 H new ATOM 0 HD12 LEU A 100 122.314 0.614 3.996 1.00 0.00 H new ATOM 0 HD13 LEU A 100 123.781 1.606 4.172 1.00 0.00 H new ATOM 0 HD21 LEU A 100 122.553 4.166 2.979 1.00 0.00 H new ATOM 0 HD22 LEU A 100 124.160 3.542 2.538 1.00 0.00 H new ATOM 0 HD23 LEU A 100 122.944 3.841 1.273 1.00 0.00 H new ATOM 316 N PHE A 101 124.549 0.134 -1.435 1.00 0.00 N ATOM 317 CA PHE A 101 125.744 -0.035 -2.254 1.00 0.00 C ATOM 318 C PHE A 101 125.752 0.951 -3.418 1.00 0.00 C ATOM 319 O PHE A 101 126.759 1.607 -3.682 1.00 0.00 O ATOM 320 CB PHE A 101 125.826 -1.468 -2.785 1.00 0.00 C ATOM 321 CG PHE A 101 127.103 -1.763 -3.521 1.00 0.00 C ATOM 322 CD1 PHE A 101 127.208 -1.512 -4.879 1.00 0.00 C ATOM 323 CD2 PHE A 101 128.195 -2.293 -2.853 1.00 0.00 C ATOM 324 CE1 PHE A 101 128.381 -1.783 -5.558 1.00 0.00 C ATOM 325 CE2 PHE A 101 129.369 -2.567 -3.527 1.00 0.00 C ATOM 326 CZ PHE A 101 129.462 -2.312 -4.881 1.00 0.00 C ATOM 0 H PHE A 101 123.943 -0.685 -1.398 1.00 0.00 H new ATOM 0 HA PHE A 101 126.613 0.164 -1.627 1.00 0.00 H new ATOM 0 HB2 PHE A 101 125.728 -2.162 -1.950 1.00 0.00 H new ATOM 0 HB3 PHE A 101 124.982 -1.649 -3.451 1.00 0.00 H new ATOM 0 HD1 PHE A 101 126.364 -1.100 -5.413 1.00 0.00 H new ATOM 0 HD2 PHE A 101 128.127 -2.494 -1.794 1.00 0.00 H new ATOM 0 HE1 PHE A 101 128.452 -1.581 -6.617 1.00 0.00 H new ATOM 0 HE2 PHE A 101 130.213 -2.980 -2.996 1.00 0.00 H new ATOM 0 HZ PHE A 101 130.379 -2.526 -5.410 1.00 0.00 H new ATOM 336 N ARG A 102 124.623 1.049 -4.111 1.00 0.00 N ATOM 337 CA ARG A 102 124.501 1.955 -5.248 1.00 0.00 C ATOM 338 C ARG A 102 124.743 3.400 -4.821 1.00 0.00 C ATOM 339 O ARG A 102 125.235 4.214 -5.601 1.00 0.00 O ATOM 340 CB ARG A 102 123.119 1.822 -5.888 1.00 0.00 C ATOM 341 CG ARG A 102 121.973 2.084 -4.923 1.00 0.00 C ATOM 342 CD ARG A 102 120.916 2.992 -5.536 1.00 0.00 C ATOM 343 NE ARG A 102 121.270 4.406 -5.410 1.00 0.00 N ATOM 344 CZ ARG A 102 121.819 5.130 -6.386 1.00 0.00 C ATOM 345 NH1 ARG A 102 122.072 4.588 -7.571 1.00 0.00 N ATOM 346 NH2 ARG A 102 122.110 6.406 -6.174 1.00 0.00 N ATOM 0 H ARG A 102 123.780 0.513 -3.906 1.00 0.00 H new ATOM 0 HA ARG A 102 125.259 1.681 -5.982 1.00 0.00 H new ATOM 0 HB2 ARG A 102 123.046 2.519 -6.723 1.00 0.00 H new ATOM 0 HB3 ARG A 102 123.014 0.818 -6.300 1.00 0.00 H new ATOM 0 HG2 ARG A 102 121.516 1.137 -4.635 1.00 0.00 H new ATOM 0 HG3 ARG A 102 122.361 2.541 -4.013 1.00 0.00 H new ATOM 0 HD2 ARG A 102 120.790 2.742 -6.589 1.00 0.00 H new ATOM 0 HD3 ARG A 102 119.957 2.813 -5.049 1.00 0.00 H new ATOM 0 HE ARG A 102 121.085 4.867 -4.519 1.00 0.00 H new ATOM 0 HH11 ARG A 102 121.846 3.608 -7.742 1.00 0.00 H new ATOM 0 HH12 ARG A 102 122.492 5.151 -8.310 1.00 0.00 H new ATOM 0 HH21 ARG A 102 121.914 6.830 -5.267 1.00 0.00 H new ATOM 0 HH22 ARG A 102 122.530 6.964 -6.918 1.00 0.00 H new ATOM 360 N MET A 103 124.391 3.712 -3.578 1.00 0.00 N ATOM 361 CA MET A 103 124.570 5.059 -3.046 1.00 0.00 C ATOM 362 C MET A 103 126.049 5.430 -2.978 1.00 0.00 C ATOM 363 O MET A 103 126.400 6.610 -2.949 1.00 0.00 O ATOM 364 CB MET A 103 123.939 5.170 -1.658 1.00 0.00 C ATOM 365 CG MET A 103 122.448 5.466 -1.688 1.00 0.00 C ATOM 366 SD MET A 103 122.060 7.150 -1.173 1.00 0.00 S ATOM 367 CE MET A 103 122.571 8.074 -2.620 1.00 0.00 C ATOM 0 H MET A 103 123.980 3.050 -2.920 1.00 0.00 H new ATOM 0 HA MET A 103 124.073 5.756 -3.721 1.00 0.00 H new ATOM 0 HB2 MET A 103 124.105 4.238 -1.117 1.00 0.00 H new ATOM 0 HB3 MET A 103 124.446 5.957 -1.100 1.00 0.00 H new ATOM 0 HG2 MET A 103 122.070 5.303 -2.697 1.00 0.00 H new ATOM 0 HG3 MET A 103 121.929 4.763 -1.036 1.00 0.00 H new ATOM 0 HE1 MET A 103 122.510 9.142 -2.410 1.00 0.00 H new ATOM 0 HE2 MET A 103 123.598 7.812 -2.875 1.00 0.00 H new ATOM 0 HE3 MET A 103 121.916 7.831 -3.457 1.00 0.00 H new ATOM 377 N PHE A 104 126.912 4.419 -2.952 1.00 0.00 N ATOM 378 CA PHE A 104 128.352 4.645 -2.887 1.00 0.00 C ATOM 379 C PHE A 104 128.963 4.691 -4.287 1.00 0.00 C ATOM 380 O PHE A 104 130.003 5.312 -4.499 1.00 0.00 O ATOM 381 CB PHE A 104 129.023 3.548 -2.056 1.00 0.00 C ATOM 382 CG PHE A 104 129.590 4.042 -0.756 1.00 0.00 C ATOM 383 CD1 PHE A 104 128.804 4.768 0.126 1.00 0.00 C ATOM 384 CD2 PHE A 104 130.907 3.780 -0.414 1.00 0.00 C ATOM 385 CE1 PHE A 104 129.324 5.224 1.324 1.00 0.00 C ATOM 386 CE2 PHE A 104 131.431 4.233 0.781 1.00 0.00 C ATOM 387 CZ PHE A 104 130.638 4.955 1.651 1.00 0.00 C ATOM 0 H PHE A 104 126.640 3.436 -2.975 1.00 0.00 H new ATOM 0 HA PHE A 104 128.523 5.609 -2.408 1.00 0.00 H new ATOM 0 HB2 PHE A 104 128.295 2.763 -1.851 1.00 0.00 H new ATOM 0 HB3 PHE A 104 129.822 3.096 -2.643 1.00 0.00 H new ATOM 0 HD1 PHE A 104 127.775 4.980 -0.125 1.00 0.00 H new ATOM 0 HD2 PHE A 104 131.531 3.215 -1.090 1.00 0.00 H new ATOM 0 HE1 PHE A 104 128.703 5.790 2.003 1.00 0.00 H new ATOM 0 HE2 PHE A 104 132.460 4.023 1.035 1.00 0.00 H new ATOM 0 HZ PHE A 104 131.045 5.309 2.586 1.00 0.00 H new ATOM 397 N ASP A 105 128.309 4.027 -5.236 1.00 0.00 N ATOM 398 CA ASP A 105 128.789 3.994 -6.613 1.00 0.00 C ATOM 399 C ASP A 105 128.542 5.329 -7.308 1.00 0.00 C ATOM 400 O ASP A 105 127.626 6.068 -6.947 1.00 0.00 O ATOM 401 CB ASP A 105 128.105 2.863 -7.386 1.00 0.00 C ATOM 402 CG ASP A 105 129.097 1.974 -8.109 1.00 0.00 C ATOM 403 OD1 ASP A 105 129.438 2.287 -9.270 1.00 0.00 O ATOM 404 OD2 ASP A 105 129.531 0.966 -7.516 1.00 0.00 O ATOM 0 H ASP A 105 127.447 3.506 -5.077 1.00 0.00 H new ATOM 0 HA ASP A 105 129.863 3.812 -6.594 1.00 0.00 H new ATOM 0 HB2 ASP A 105 127.516 2.259 -6.695 1.00 0.00 H new ATOM 0 HB3 ASP A 105 127.410 3.290 -8.109 1.00 0.00 H new ATOM 409 N LYS A 106 129.364 5.633 -8.308 1.00 0.00 N ATOM 410 CA LYS A 106 129.233 6.878 -9.054 1.00 0.00 C ATOM 411 C LYS A 106 128.504 6.648 -10.374 1.00 0.00 C ATOM 412 O LYS A 106 127.653 7.444 -10.770 1.00 0.00 O ATOM 413 CB LYS A 106 130.612 7.486 -9.318 1.00 0.00 C ATOM 414 CG LYS A 106 130.559 8.895 -9.884 1.00 0.00 C ATOM 415 CD LYS A 106 130.091 9.898 -8.840 1.00 0.00 C ATOM 416 CE LYS A 106 128.620 10.238 -9.013 1.00 0.00 C ATOM 417 NZ LYS A 106 127.868 10.126 -7.732 1.00 0.00 N ATOM 0 H LYS A 106 130.128 5.033 -8.620 1.00 0.00 H new ATOM 0 HA LYS A 106 128.646 7.573 -8.453 1.00 0.00 H new ATOM 0 HB2 LYS A 106 131.178 7.499 -8.387 1.00 0.00 H new ATOM 0 HB3 LYS A 106 131.155 6.845 -10.012 1.00 0.00 H new ATOM 0 HG2 LYS A 106 131.547 9.180 -10.247 1.00 0.00 H new ATOM 0 HG3 LYS A 106 129.886 8.919 -10.741 1.00 0.00 H new ATOM 0 HD2 LYS A 106 130.256 9.490 -7.843 1.00 0.00 H new ATOM 0 HD3 LYS A 106 130.687 10.808 -8.915 1.00 0.00 H new ATOM 0 HE2 LYS A 106 128.525 11.252 -9.402 1.00 0.00 H new ATOM 0 HE3 LYS A 106 128.178 9.570 -9.753 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 127.108 10.835 -7.713 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 127.456 9.174 -7.654 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 128.515 10.290 -6.934 1.00 0.00 H new ATOM 431 N ASN A 107 128.843 5.556 -11.049 1.00 0.00 N ATOM 432 CA ASN A 107 128.221 5.221 -12.325 1.00 0.00 C ATOM 433 C ASN A 107 127.206 4.088 -12.170 1.00 0.00 C ATOM 434 O ASN A 107 126.473 3.771 -13.108 1.00 0.00 O ATOM 435 CB ASN A 107 129.288 4.824 -13.349 1.00 0.00 C ATOM 436 CG ASN A 107 130.280 3.824 -12.791 1.00 0.00 C ATOM 437 OD1 ASN A 107 129.899 2.754 -12.315 1.00 0.00 O ATOM 438 ND2 ASN A 107 131.562 4.166 -12.848 1.00 0.00 N ATOM 0 H ASN A 107 129.546 4.887 -10.734 1.00 0.00 H new ATOM 0 HA ASN A 107 127.693 6.107 -12.678 1.00 0.00 H new ATOM 0 HB2 ASN A 107 128.804 4.399 -14.228 1.00 0.00 H new ATOM 0 HB3 ASN A 107 129.821 5.716 -13.678 1.00 0.00 H new ATOM 0 HD21 ASN A 107 132.275 3.532 -12.489 1.00 0.00 H new ATOM 0 HD22 ASN A 107 131.833 5.063 -13.251 1.00 0.00 H new ATOM 445 N ALA A 108 127.164 3.482 -10.986 1.00 0.00 N ATOM 446 CA ALA A 108 126.237 2.389 -10.720 1.00 0.00 C ATOM 447 C ALA A 108 126.525 1.193 -11.621 1.00 0.00 C ATOM 448 O ALA A 108 125.725 0.850 -12.493 1.00 0.00 O ATOM 449 CB ALA A 108 124.800 2.858 -10.902 1.00 0.00 C ATOM 0 H ALA A 108 127.761 3.730 -10.197 1.00 0.00 H new ATOM 0 HA ALA A 108 126.375 2.072 -9.686 1.00 0.00 H new ATOM 0 HB1 ALA A 108 124.119 2.031 -10.700 1.00 0.00 H new ATOM 0 HB2 ALA A 108 124.594 3.675 -10.211 1.00 0.00 H new ATOM 0 HB3 ALA A 108 124.657 3.204 -11.926 1.00 0.00 H new ATOM 455 N ASP A 109 127.675 0.561 -11.406 1.00 0.00 N ATOM 456 CA ASP A 109 128.071 -0.597 -12.199 1.00 0.00 C ATOM 457 C ASP A 109 128.057 -1.868 -11.354 1.00 0.00 C ATOM 458 O ASP A 109 127.823 -2.962 -11.866 1.00 0.00 O ATOM 459 CB ASP A 109 129.466 -0.381 -12.792 1.00 0.00 C ATOM 460 CG ASP A 109 129.417 0.279 -14.155 1.00 0.00 C ATOM 461 OD1 ASP A 109 128.633 -0.182 -15.010 1.00 0.00 O ATOM 462 OD2 ASP A 109 130.164 1.258 -14.368 1.00 0.00 O ATOM 0 H ASP A 109 128.349 0.832 -10.689 1.00 0.00 H new ATOM 0 HA ASP A 109 127.352 -0.714 -13.009 1.00 0.00 H new ATOM 0 HB2 ASP A 109 130.055 0.236 -12.113 1.00 0.00 H new ATOM 0 HB3 ASP A 109 129.976 -1.341 -12.874 1.00 0.00 H new ATOM 467 N GLY A 110 128.308 -1.715 -10.057 1.00 0.00 N ATOM 468 CA GLY A 110 128.320 -2.860 -9.163 1.00 0.00 C ATOM 469 C GLY A 110 129.617 -2.984 -8.382 1.00 0.00 C ATOM 470 O GLY A 110 129.774 -3.902 -7.576 1.00 0.00 O ATOM 0 H GLY A 110 128.503 -0.820 -9.609 1.00 0.00 H new ATOM 0 HA2 GLY A 110 127.487 -2.778 -8.465 1.00 0.00 H new ATOM 0 HA3 GLY A 110 128.162 -3.769 -9.743 1.00 0.00 H new ATOM 474 N TYR A 111 130.547 -2.062 -8.619 1.00 0.00 N ATOM 475 CA TYR A 111 131.832 -2.079 -7.928 1.00 0.00 C ATOM 476 C TYR A 111 132.349 -0.662 -7.713 1.00 0.00 C ATOM 477 O TYR A 111 132.015 0.252 -8.468 1.00 0.00 O ATOM 478 CB TYR A 111 132.854 -2.889 -8.726 1.00 0.00 C ATOM 479 CG TYR A 111 132.361 -4.259 -9.135 1.00 0.00 C ATOM 480 CD1 TYR A 111 131.499 -4.417 -10.213 1.00 0.00 C ATOM 481 CD2 TYR A 111 132.760 -5.395 -8.442 1.00 0.00 C ATOM 482 CE1 TYR A 111 131.047 -5.668 -10.588 1.00 0.00 C ATOM 483 CE2 TYR A 111 132.312 -6.651 -8.811 1.00 0.00 C ATOM 484 CZ TYR A 111 131.456 -6.780 -9.885 1.00 0.00 C ATOM 485 OH TYR A 111 131.009 -8.028 -10.255 1.00 0.00 O ATOM 0 H TYR A 111 130.435 -1.296 -9.283 1.00 0.00 H new ATOM 0 HA TYR A 111 131.687 -2.548 -6.955 1.00 0.00 H new ATOM 0 HB2 TYR A 111 133.129 -2.330 -9.620 1.00 0.00 H new ATOM 0 HB3 TYR A 111 133.760 -3.002 -8.130 1.00 0.00 H new ATOM 0 HD1 TYR A 111 131.177 -3.548 -10.767 1.00 0.00 H new ATOM 0 HD2 TYR A 111 133.431 -5.296 -7.601 1.00 0.00 H new ATOM 0 HE1 TYR A 111 130.376 -5.773 -11.428 1.00 0.00 H new ATOM 0 HE2 TYR A 111 132.630 -7.525 -8.262 1.00 0.00 H new ATOM 0 HH TYR A 111 131.392 -8.703 -9.657 1.00 0.00 H new ATOM 495 N ILE A 112 133.170 -0.483 -6.682 1.00 0.00 N ATOM 496 CA ILE A 112 133.733 0.827 -6.377 1.00 0.00 C ATOM 497 C ILE A 112 135.251 0.754 -6.247 1.00 0.00 C ATOM 498 O ILE A 112 135.804 -0.272 -5.851 1.00 0.00 O ATOM 499 CB ILE A 112 133.143 1.411 -5.079 1.00 0.00 C ATOM 500 CG1 ILE A 112 131.618 1.266 -5.070 1.00 0.00 C ATOM 501 CG2 ILE A 112 133.544 2.870 -4.923 1.00 0.00 C ATOM 502 CD1 ILE A 112 131.096 0.443 -3.913 1.00 0.00 C ATOM 0 H ILE A 112 133.459 -1.226 -6.046 1.00 0.00 H new ATOM 0 HA ILE A 112 133.472 1.483 -7.208 1.00 0.00 H new ATOM 0 HB ILE A 112 133.545 0.852 -4.234 1.00 0.00 H new ATOM 0 HG12 ILE A 112 131.167 2.258 -5.033 1.00 0.00 H new ATOM 0 HG13 ILE A 112 131.299 0.806 -6.005 1.00 0.00 H new ATOM 0 HG21 ILE A 112 133.119 3.268 -4.001 1.00 0.00 H new ATOM 0 HG22 ILE A 112 134.631 2.947 -4.884 1.00 0.00 H new ATOM 0 HG23 ILE A 112 133.170 3.443 -5.772 1.00 0.00 H new ATOM 0 HD11 ILE A 112 130.009 0.383 -3.971 1.00 0.00 H new ATOM 0 HD12 ILE A 112 131.518 -0.561 -3.961 1.00 0.00 H new ATOM 0 HD13 ILE A 112 131.384 0.913 -2.973 1.00 0.00 H new ATOM 514 N ASP A 113 135.917 1.853 -6.588 1.00 0.00 N ATOM 515 CA ASP A 113 137.371 1.922 -6.515 1.00 0.00 C ATOM 516 C ASP A 113 137.823 3.240 -5.896 1.00 0.00 C ATOM 517 O ASP A 113 137.002 4.043 -5.452 1.00 0.00 O ATOM 518 CB ASP A 113 137.977 1.769 -7.911 1.00 0.00 C ATOM 519 CG ASP A 113 137.463 2.814 -8.883 1.00 0.00 C ATOM 520 OD1 ASP A 113 136.928 3.842 -8.420 1.00 0.00 O ATOM 521 OD2 ASP A 113 137.595 2.601 -10.107 1.00 0.00 O ATOM 0 H ASP A 113 135.471 2.709 -6.918 1.00 0.00 H new ATOM 0 HA ASP A 113 137.718 1.106 -5.881 1.00 0.00 H new ATOM 0 HB2 ASP A 113 139.062 1.843 -7.843 1.00 0.00 H new ATOM 0 HB3 ASP A 113 137.749 0.775 -8.296 1.00 0.00 H new ATOM 526 N LEU A 114 139.133 3.457 -5.868 1.00 0.00 N ATOM 527 CA LEU A 114 139.694 4.680 -5.305 1.00 0.00 C ATOM 528 C LEU A 114 139.164 5.910 -6.037 1.00 0.00 C ATOM 529 O LEU A 114 139.048 6.987 -5.456 1.00 0.00 O ATOM 530 CB LEU A 114 141.225 4.642 -5.375 1.00 0.00 C ATOM 531 CG LEU A 114 141.931 4.493 -4.026 1.00 0.00 C ATOM 532 CD1 LEU A 114 143.191 3.655 -4.174 1.00 0.00 C ATOM 533 CD2 LEU A 114 142.261 5.860 -3.446 1.00 0.00 C ATOM 0 H LEU A 114 139.827 2.802 -6.229 1.00 0.00 H new ATOM 0 HA LEU A 114 139.388 4.746 -4.261 1.00 0.00 H new ATOM 0 HB2 LEU A 114 141.524 3.814 -6.018 1.00 0.00 H new ATOM 0 HB3 LEU A 114 141.575 5.558 -5.852 1.00 0.00 H new ATOM 0 HG LEU A 114 141.259 3.981 -3.338 1.00 0.00 H new ATOM 0 HD11 LEU A 114 143.680 3.559 -3.205 1.00 0.00 H new ATOM 0 HD12 LEU A 114 142.928 2.665 -4.547 1.00 0.00 H new ATOM 0 HD13 LEU A 114 143.869 4.139 -4.877 1.00 0.00 H new ATOM 0 HD21 LEU A 114 142.763 5.737 -2.486 1.00 0.00 H new ATOM 0 HD22 LEU A 114 142.916 6.398 -4.132 1.00 0.00 H new ATOM 0 HD23 LEU A 114 141.341 6.427 -3.304 1.00 0.00 H new ATOM 545 N GLU A 115 138.845 5.739 -7.317 1.00 0.00 N ATOM 546 CA GLU A 115 138.327 6.835 -8.130 1.00 0.00 C ATOM 547 C GLU A 115 136.928 7.236 -7.673 1.00 0.00 C ATOM 548 O GLU A 115 136.698 8.375 -7.270 1.00 0.00 O ATOM 549 CB GLU A 115 138.301 6.436 -9.606 1.00 0.00 C ATOM 550 CG GLU A 115 138.658 7.573 -10.550 1.00 0.00 C ATOM 551 CD GLU A 115 139.964 7.337 -11.281 1.00 0.00 C ATOM 552 OE1 GLU A 115 140.876 6.726 -10.686 1.00 0.00 O ATOM 553 OE2 GLU A 115 140.075 7.763 -12.450 1.00 0.00 O ATOM 0 H GLU A 115 138.936 4.853 -7.813 1.00 0.00 H new ATOM 0 HA GLU A 115 138.990 7.692 -8.006 1.00 0.00 H new ATOM 0 HB2 GLU A 115 138.997 5.612 -9.763 1.00 0.00 H new ATOM 0 HB3 GLU A 115 137.307 6.066 -9.856 1.00 0.00 H new ATOM 0 HG2 GLU A 115 137.857 7.701 -11.278 1.00 0.00 H new ATOM 0 HG3 GLU A 115 138.726 8.502 -9.984 1.00 0.00 H new ATOM 560 N GLU A 116 135.996 6.290 -7.742 1.00 0.00 N ATOM 561 CA GLU A 116 134.617 6.545 -7.338 1.00 0.00 C ATOM 562 C GLU A 116 134.548 6.941 -5.867 1.00 0.00 C ATOM 563 O GLU A 116 133.902 7.926 -5.508 1.00 0.00 O ATOM 564 CB GLU A 116 133.755 5.305 -7.586 1.00 0.00 C ATOM 565 CG GLU A 116 133.119 5.274 -8.967 1.00 0.00 C ATOM 566 CD GLU A 116 133.269 3.927 -9.647 1.00 0.00 C ATOM 567 OE1 GLU A 116 133.364 2.908 -8.931 1.00 0.00 O ATOM 568 OE2 GLU A 116 133.289 3.892 -10.895 1.00 0.00 O ATOM 0 H GLU A 116 136.170 5.341 -8.073 1.00 0.00 H new ATOM 0 HA GLU A 116 134.234 7.371 -7.937 1.00 0.00 H new ATOM 0 HB2 GLU A 116 134.369 4.414 -7.458 1.00 0.00 H new ATOM 0 HB3 GLU A 116 132.969 5.262 -6.832 1.00 0.00 H new ATOM 0 HG2 GLU A 116 132.060 5.518 -8.881 1.00 0.00 H new ATOM 0 HG3 GLU A 116 133.574 6.044 -9.590 1.00 0.00 H new ATOM 575 N LEU A 117 135.215 6.165 -5.018 1.00 0.00 N ATOM 576 CA LEU A 117 135.229 6.431 -3.583 1.00 0.00 C ATOM 577 C LEU A 117 135.687 7.858 -3.295 1.00 0.00 C ATOM 578 O LEU A 117 135.283 8.460 -2.299 1.00 0.00 O ATOM 579 CB LEU A 117 136.143 5.435 -2.867 1.00 0.00 C ATOM 580 CG LEU A 117 135.915 5.317 -1.359 1.00 0.00 C ATOM 581 CD1 LEU A 117 134.476 4.921 -1.066 1.00 0.00 C ATOM 582 CD2 LEU A 117 136.881 4.310 -0.753 1.00 0.00 C ATOM 0 H LEU A 117 135.754 5.346 -5.299 1.00 0.00 H new ATOM 0 HA LEU A 117 134.212 6.314 -3.209 1.00 0.00 H new ATOM 0 HB2 LEU A 117 136.008 4.452 -3.318 1.00 0.00 H new ATOM 0 HB3 LEU A 117 137.179 5.726 -3.041 1.00 0.00 H new ATOM 0 HG LEU A 117 136.102 6.290 -0.904 1.00 0.00 H new ATOM 0 HD11 LEU A 117 134.333 4.842 0.012 1.00 0.00 H new ATOM 0 HD12 LEU A 117 133.802 5.677 -1.467 1.00 0.00 H new ATOM 0 HD13 LEU A 117 134.261 3.959 -1.532 1.00 0.00 H new ATOM 0 HD21 LEU A 117 136.706 4.238 0.320 1.00 0.00 H new ATOM 0 HD22 LEU A 117 136.725 3.334 -1.213 1.00 0.00 H new ATOM 0 HD23 LEU A 117 137.906 4.636 -0.932 1.00 0.00 H new ATOM 594 N LYS A 118 136.530 8.394 -4.171 1.00 0.00 N ATOM 595 CA LYS A 118 137.039 9.751 -4.008 1.00 0.00 C ATOM 596 C LYS A 118 135.902 10.766 -4.063 1.00 0.00 C ATOM 597 O LYS A 118 135.916 11.769 -3.350 1.00 0.00 O ATOM 598 CB LYS A 118 138.075 10.065 -5.090 1.00 0.00 C ATOM 599 CG LYS A 118 139.265 10.862 -4.580 1.00 0.00 C ATOM 600 CD LYS A 118 139.863 11.730 -5.674 1.00 0.00 C ATOM 601 CE LYS A 118 140.323 13.072 -5.128 1.00 0.00 C ATOM 602 NZ LYS A 118 140.613 14.046 -6.218 1.00 0.00 N ATOM 0 H LYS A 118 136.875 7.910 -5.000 1.00 0.00 H new ATOM 0 HA LYS A 118 137.517 9.819 -3.031 1.00 0.00 H new ATOM 0 HB2 LYS A 118 138.432 9.130 -5.521 1.00 0.00 H new ATOM 0 HB3 LYS A 118 137.592 10.622 -5.893 1.00 0.00 H new ATOM 0 HG2 LYS A 118 138.953 11.490 -3.745 1.00 0.00 H new ATOM 0 HG3 LYS A 118 140.025 10.180 -4.199 1.00 0.00 H new ATOM 0 HD2 LYS A 118 140.707 11.213 -6.131 1.00 0.00 H new ATOM 0 HD3 LYS A 118 139.124 11.889 -6.459 1.00 0.00 H new ATOM 0 HE2 LYS A 118 139.554 13.480 -4.472 1.00 0.00 H new ATOM 0 HE3 LYS A 118 141.217 12.930 -4.521 1.00 0.00 H new ATOM 0 HZ1 LYS A 118 140.924 14.948 -5.804 1.00 0.00 H new ATOM 0 HZ2 LYS A 118 141.365 13.669 -6.830 1.00 0.00 H new ATOM 0 HZ3 LYS A 118 139.753 14.202 -6.782 1.00 0.00 H new ATOM 616 N ILE A 119 134.917 10.498 -4.915 1.00 0.00 N ATOM 617 CA ILE A 119 133.772 11.387 -5.064 1.00 0.00 C ATOM 618 C ILE A 119 132.867 11.321 -3.837 1.00 0.00 C ATOM 619 O ILE A 119 132.335 12.337 -3.390 1.00 0.00 O ATOM 620 CB ILE A 119 132.946 11.036 -6.317 1.00 0.00 C ATOM 621 CG1 ILE A 119 133.855 10.934 -7.544 1.00 0.00 C ATOM 622 CG2 ILE A 119 131.856 12.074 -6.542 1.00 0.00 C ATOM 623 CD1 ILE A 119 133.554 9.738 -8.422 1.00 0.00 C ATOM 0 H ILE A 119 134.890 9.672 -5.512 1.00 0.00 H new ATOM 0 HA ILE A 119 134.166 12.398 -5.171 1.00 0.00 H new ATOM 0 HB ILE A 119 132.471 10.068 -6.160 1.00 0.00 H new ATOM 0 HG12 ILE A 119 133.756 11.844 -8.136 1.00 0.00 H new ATOM 0 HG13 ILE A 119 134.892 10.880 -7.214 1.00 0.00 H new ATOM 0 HG21 ILE A 119 131.282 11.812 -7.431 1.00 0.00 H new ATOM 0 HG22 ILE A 119 131.194 12.100 -5.677 1.00 0.00 H new ATOM 0 HG23 ILE A 119 132.311 13.055 -6.680 1.00 0.00 H new ATOM 0 HD11 ILE A 119 134.236 9.730 -9.272 1.00 0.00 H new ATOM 0 HD12 ILE A 119 133.682 8.822 -7.845 1.00 0.00 H new ATOM 0 HD13 ILE A 119 132.527 9.800 -8.782 1.00 0.00 H new ATOM 635 N MET A 120 132.697 10.119 -3.298 1.00 0.00 N ATOM 636 CA MET A 120 131.858 9.918 -2.123 1.00 0.00 C ATOM 637 C MET A 120 132.384 10.716 -0.935 1.00 0.00 C ATOM 638 O MET A 120 131.615 11.168 -0.087 1.00 0.00 O ATOM 639 CB MET A 120 131.792 8.433 -1.767 1.00 0.00 C ATOM 640 CG MET A 120 130.442 7.997 -1.221 1.00 0.00 C ATOM 641 SD MET A 120 130.078 8.719 0.392 1.00 0.00 S ATOM 642 CE MET A 120 131.576 8.317 1.288 1.00 0.00 C ATOM 0 H MET A 120 133.130 9.268 -3.657 1.00 0.00 H new ATOM 0 HA MET A 120 130.855 10.273 -2.359 1.00 0.00 H new ATOM 0 HB2 MET A 120 132.022 7.845 -2.655 1.00 0.00 H new ATOM 0 HB3 MET A 120 132.562 8.210 -1.028 1.00 0.00 H new ATOM 0 HG2 MET A 120 129.661 8.280 -1.926 1.00 0.00 H new ATOM 0 HG3 MET A 120 130.421 6.910 -1.141 1.00 0.00 H new ATOM 0 HE1 MET A 120 131.321 8.002 2.300 1.00 0.00 H new ATOM 0 HE2 MET A 120 132.100 7.509 0.777 1.00 0.00 H new ATOM 0 HE3 MET A 120 132.220 9.195 1.333 1.00 0.00 H new ATOM 652 N LEU A 121 133.702 10.885 -0.879 1.00 0.00 N ATOM 653 CA LEU A 121 134.332 11.627 0.206 1.00 0.00 C ATOM 654 C LEU A 121 134.132 13.129 0.027 1.00 0.00 C ATOM 655 O LEU A 121 134.094 13.878 1.003 1.00 0.00 O ATOM 656 CB LEU A 121 135.824 11.300 0.277 1.00 0.00 C ATOM 657 CG LEU A 121 136.195 10.185 1.257 1.00 0.00 C ATOM 658 CD1 LEU A 121 135.832 10.583 2.680 1.00 0.00 C ATOM 659 CD2 LEU A 121 135.503 8.886 0.872 1.00 0.00 C ATOM 0 H LEU A 121 134.353 10.518 -1.573 1.00 0.00 H new ATOM 0 HA LEU A 121 133.859 11.327 1.141 1.00 0.00 H new ATOM 0 HB2 LEU A 121 136.167 11.017 -0.718 1.00 0.00 H new ATOM 0 HB3 LEU A 121 136.366 12.204 0.556 1.00 0.00 H new ATOM 0 HG LEU A 121 137.273 10.028 1.209 1.00 0.00 H new ATOM 0 HD11 LEU A 121 136.103 9.778 3.363 1.00 0.00 H new ATOM 0 HD12 LEU A 121 136.373 11.489 2.954 1.00 0.00 H new ATOM 0 HD13 LEU A 121 134.760 10.768 2.744 1.00 0.00 H new ATOM 0 HD21 LEU A 121 135.778 8.104 1.579 1.00 0.00 H new ATOM 0 HD22 LEU A 121 134.423 9.030 0.892 1.00 0.00 H new ATOM 0 HD23 LEU A 121 135.812 8.593 -0.131 1.00 0.00 H new ATOM 671 N GLN A 122 134.001 13.563 -1.223 1.00 0.00 N ATOM 672 CA GLN A 122 133.801 14.977 -1.520 1.00 0.00 C ATOM 673 C GLN A 122 132.548 15.504 -0.828 1.00 0.00 C ATOM 674 O GLN A 122 132.434 16.699 -0.555 1.00 0.00 O ATOM 675 CB GLN A 122 133.695 15.194 -3.031 1.00 0.00 C ATOM 676 CG GLN A 122 135.018 15.033 -3.763 1.00 0.00 C ATOM 677 CD GLN A 122 135.256 16.130 -4.783 1.00 0.00 C ATOM 678 OE1 GLN A 122 135.792 17.191 -4.459 1.00 0.00 O ATOM 679 NE2 GLN A 122 134.860 15.879 -6.025 1.00 0.00 N ATOM 0 H GLN A 122 134.030 12.958 -2.044 1.00 0.00 H new ATOM 0 HA GLN A 122 134.662 15.528 -1.143 1.00 0.00 H new ATOM 0 HB2 GLN A 122 132.974 14.487 -3.441 1.00 0.00 H new ATOM 0 HB3 GLN A 122 133.304 16.194 -3.220 1.00 0.00 H new ATOM 0 HG2 GLN A 122 135.832 15.032 -3.039 1.00 0.00 H new ATOM 0 HG3 GLN A 122 135.037 14.065 -4.264 1.00 0.00 H new ATOM 0 HE21 GLN A 122 134.420 14.986 -6.250 1.00 0.00 H new ATOM 0 HE22 GLN A 122 134.996 16.579 -6.755 1.00 0.00 H new ATOM 688 N ALA A 123 131.610 14.603 -0.544 1.00 0.00 N ATOM 689 CA ALA A 123 130.367 14.976 0.120 1.00 0.00 C ATOM 690 C ALA A 123 130.646 15.700 1.433 1.00 0.00 C ATOM 691 O ALA A 123 130.014 16.711 1.742 1.00 0.00 O ATOM 692 CB ALA A 123 129.510 13.744 0.366 1.00 0.00 C ATOM 0 H ALA A 123 131.689 13.610 -0.764 1.00 0.00 H new ATOM 0 HA ALA A 123 129.823 15.658 -0.534 1.00 0.00 H new ATOM 0 HB1 ALA A 123 128.585 14.037 0.862 1.00 0.00 H new ATOM 0 HB2 ALA A 123 129.276 13.268 -0.586 1.00 0.00 H new ATOM 0 HB3 ALA A 123 130.054 13.042 0.998 1.00 0.00 H new ATOM 698 N THR A 124 131.599 15.180 2.200 1.00 0.00 N ATOM 699 CA THR A 124 131.965 15.784 3.476 1.00 0.00 C ATOM 700 C THR A 124 132.481 17.204 3.271 1.00 0.00 C ATOM 701 O THR A 124 132.910 17.565 2.176 1.00 0.00 O ATOM 702 CB THR A 124 133.028 14.937 4.178 1.00 0.00 C ATOM 703 OG1 THR A 124 134.275 15.046 3.515 1.00 0.00 O ATOM 704 CG2 THR A 124 132.673 13.469 4.249 1.00 0.00 C ATOM 0 H THR A 124 132.131 14.343 1.961 1.00 0.00 H new ATOM 0 HA THR A 124 131.074 15.826 4.103 1.00 0.00 H new ATOM 0 HB THR A 124 133.085 15.330 5.193 1.00 0.00 H new ATOM 0 HG1 THR A 124 134.207 14.647 2.623 1.00 0.00 H new ATOM 0 HG21 THR A 124 133.469 12.926 4.759 1.00 0.00 H new ATOM 0 HG22 THR A 124 131.740 13.346 4.799 1.00 0.00 H new ATOM 0 HG23 THR A 124 132.553 13.074 3.240 1.00 0.00 H new ATOM 712 N GLY A 125 132.438 18.004 4.330 1.00 0.00 N ATOM 713 CA GLY A 125 132.906 19.374 4.239 1.00 0.00 C ATOM 714 C GLY A 125 134.417 19.468 4.263 1.00 0.00 C ATOM 715 O GLY A 125 135.021 20.108 3.402 1.00 0.00 O ATOM 0 H GLY A 125 132.088 17.729 5.248 1.00 0.00 H new ATOM 0 HA2 GLY A 125 132.531 19.823 3.320 1.00 0.00 H new ATOM 0 HA3 GLY A 125 132.495 19.952 5.067 1.00 0.00 H new ATOM 719 N GLU A 126 135.031 18.832 5.256 1.00 0.00 N ATOM 720 CA GLU A 126 136.485 18.848 5.398 1.00 0.00 C ATOM 721 C GLU A 126 137.172 18.393 4.114 1.00 0.00 C ATOM 722 O GLU A 126 136.520 17.947 3.170 1.00 0.00 O ATOM 723 CB GLU A 126 136.911 17.952 6.560 1.00 0.00 C ATOM 724 CG GLU A 126 136.389 16.531 6.451 1.00 0.00 C ATOM 725 CD GLU A 126 136.658 15.712 7.698 1.00 0.00 C ATOM 726 OE1 GLU A 126 137.794 15.770 8.214 1.00 0.00 O ATOM 727 OE2 GLU A 126 135.731 15.014 8.161 1.00 0.00 O ATOM 0 H GLU A 126 134.544 18.298 5.976 1.00 0.00 H new ATOM 0 HA GLU A 126 136.790 19.874 5.602 1.00 0.00 H new ATOM 0 HB2 GLU A 126 138.000 17.928 6.610 1.00 0.00 H new ATOM 0 HB3 GLU A 126 136.559 18.390 7.494 1.00 0.00 H new ATOM 0 HG2 GLU A 126 135.316 16.556 6.262 1.00 0.00 H new ATOM 0 HG3 GLU A 126 136.852 16.043 5.594 1.00 0.00 H new ATOM 734 N THR A 127 138.496 18.513 4.088 1.00 0.00 N ATOM 735 CA THR A 127 139.279 18.118 2.924 1.00 0.00 C ATOM 736 C THR A 127 139.978 16.783 3.162 1.00 0.00 C ATOM 737 O THR A 127 140.695 16.614 4.149 1.00 0.00 O ATOM 738 CB THR A 127 140.313 19.194 2.589 1.00 0.00 C ATOM 739 OG1 THR A 127 141.294 19.279 3.607 1.00 0.00 O ATOM 740 CG2 THR A 127 139.710 20.571 2.416 1.00 0.00 C ATOM 0 H THR A 127 139.049 18.881 4.862 1.00 0.00 H new ATOM 0 HA THR A 127 138.596 18.004 2.082 1.00 0.00 H new ATOM 0 HB THR A 127 140.753 18.887 1.640 1.00 0.00 H new ATOM 0 HG1 THR A 127 141.397 18.404 4.036 1.00 0.00 H new ATOM 0 HG21 THR A 127 140.498 21.286 2.180 1.00 0.00 H new ATOM 0 HG22 THR A 127 138.983 20.551 1.604 1.00 0.00 H new ATOM 0 HG23 THR A 127 139.214 20.870 3.339 1.00 0.00 H new ATOM 748 N ILE A 128 139.763 15.840 2.250 1.00 0.00 N ATOM 749 CA ILE A 128 140.371 14.520 2.359 1.00 0.00 C ATOM 750 C ILE A 128 141.572 14.394 1.425 1.00 0.00 C ATOM 751 O ILE A 128 141.715 15.165 0.477 1.00 0.00 O ATOM 752 CB ILE A 128 139.359 13.405 2.030 1.00 0.00 C ATOM 753 CG1 ILE A 128 138.036 13.655 2.757 1.00 0.00 C ATOM 754 CG2 ILE A 128 139.927 12.044 2.404 1.00 0.00 C ATOM 755 CD1 ILE A 128 138.159 13.623 4.264 1.00 0.00 C ATOM 0 H ILE A 128 139.172 15.966 1.428 1.00 0.00 H new ATOM 0 HA ILE A 128 140.700 14.406 3.392 1.00 0.00 H new ATOM 0 HB ILE A 128 139.169 13.414 0.957 1.00 0.00 H new ATOM 0 HG12 ILE A 128 137.642 14.625 2.453 1.00 0.00 H new ATOM 0 HG13 ILE A 128 137.311 12.904 2.444 1.00 0.00 H new ATOM 0 HG21 ILE A 128 139.200 11.268 2.165 1.00 0.00 H new ATOM 0 HG22 ILE A 128 140.845 11.866 1.843 1.00 0.00 H new ATOM 0 HG23 ILE A 128 140.144 12.021 3.472 1.00 0.00 H new ATOM 0 HD11 ILE A 128 137.183 13.808 4.713 1.00 0.00 H new ATOM 0 HD12 ILE A 128 138.524 12.645 4.579 1.00 0.00 H new ATOM 0 HD13 ILE A 128 138.859 14.393 4.588 1.00 0.00 H new ATOM 767 N THR A 129 142.433 13.418 1.699 1.00 0.00 N ATOM 768 CA THR A 129 143.618 13.193 0.880 1.00 0.00 C ATOM 769 C THR A 129 143.545 11.842 0.174 1.00 0.00 C ATOM 770 O THR A 129 142.745 10.982 0.542 1.00 0.00 O ATOM 771 CB THR A 129 144.881 13.263 1.741 1.00 0.00 C ATOM 772 OG1 THR A 129 146.023 12.908 0.985 1.00 0.00 O ATOM 773 CG2 THR A 129 144.831 12.355 2.951 1.00 0.00 C ATOM 0 H THR A 129 142.332 12.771 2.481 1.00 0.00 H new ATOM 0 HA THR A 129 143.658 13.976 0.123 1.00 0.00 H new ATOM 0 HB THR A 129 144.940 14.296 2.084 1.00 0.00 H new ATOM 0 HG1 THR A 129 146.820 12.961 1.552 1.00 0.00 H new ATOM 0 HG21 THR A 129 145.757 12.453 3.518 1.00 0.00 H new ATOM 0 HG22 THR A 129 143.988 12.636 3.582 1.00 0.00 H new ATOM 0 HG23 THR A 129 144.712 11.321 2.626 1.00 0.00 H new ATOM 781 N GLU A 130 144.383 11.664 -0.841 1.00 0.00 N ATOM 782 CA GLU A 130 144.412 10.419 -1.598 1.00 0.00 C ATOM 783 C GLU A 130 144.887 9.259 -0.729 1.00 0.00 C ATOM 784 O GLU A 130 144.490 8.112 -0.935 1.00 0.00 O ATOM 785 CB GLU A 130 145.323 10.562 -2.820 1.00 0.00 C ATOM 786 CG GLU A 130 144.976 9.608 -3.951 1.00 0.00 C ATOM 787 CD GLU A 130 144.482 10.327 -5.192 1.00 0.00 C ATOM 788 OE1 GLU A 130 144.958 11.452 -5.456 1.00 0.00 O ATOM 789 OE2 GLU A 130 143.618 9.765 -5.899 1.00 0.00 O ATOM 0 H GLU A 130 145.051 12.366 -1.158 1.00 0.00 H new ATOM 0 HA GLU A 130 143.397 10.205 -1.931 1.00 0.00 H new ATOM 0 HB2 GLU A 130 145.265 11.586 -3.189 1.00 0.00 H new ATOM 0 HB3 GLU A 130 146.356 10.391 -2.515 1.00 0.00 H new ATOM 0 HG2 GLU A 130 145.856 9.016 -4.205 1.00 0.00 H new ATOM 0 HG3 GLU A 130 144.210 8.911 -3.611 1.00 0.00 H new ATOM 796 N ASP A 131 145.741 9.565 0.243 1.00 0.00 N ATOM 797 CA ASP A 131 146.270 8.546 1.143 1.00 0.00 C ATOM 798 C ASP A 131 145.166 7.964 2.021 1.00 0.00 C ATOM 799 O ASP A 131 145.058 6.748 2.175 1.00 0.00 O ATOM 800 CB ASP A 131 147.378 9.137 2.018 1.00 0.00 C ATOM 801 CG ASP A 131 148.763 8.820 1.490 1.00 0.00 C ATOM 802 OD1 ASP A 131 148.895 8.595 0.269 1.00 0.00 O ATOM 803 OD2 ASP A 131 149.716 8.796 2.296 1.00 0.00 O ATOM 0 H ASP A 131 146.081 10.509 0.427 1.00 0.00 H new ATOM 0 HA ASP A 131 146.685 7.741 0.536 1.00 0.00 H new ATOM 0 HB2 ASP A 131 147.253 10.218 2.076 1.00 0.00 H new ATOM 0 HB3 ASP A 131 147.282 8.750 3.032 1.00 0.00 H new ATOM 808 N ASP A 132 144.347 8.842 2.594 1.00 0.00 N ATOM 809 CA ASP A 132 143.252 8.414 3.457 1.00 0.00 C ATOM 810 C ASP A 132 142.290 7.498 2.706 1.00 0.00 C ATOM 811 O ASP A 132 141.922 6.430 3.200 1.00 0.00 O ATOM 812 CB ASP A 132 142.497 9.630 3.998 1.00 0.00 C ATOM 813 CG ASP A 132 143.112 10.174 5.271 1.00 0.00 C ATOM 814 OD1 ASP A 132 142.976 9.516 6.325 1.00 0.00 O ATOM 815 OD2 ASP A 132 143.732 11.258 5.215 1.00 0.00 O ATOM 0 H ASP A 132 144.421 9.852 2.476 1.00 0.00 H new ATOM 0 HA ASP A 132 143.678 7.857 4.291 1.00 0.00 H new ATOM 0 HB2 ASP A 132 142.485 10.413 3.240 1.00 0.00 H new ATOM 0 HB3 ASP A 132 141.460 9.355 4.188 1.00 0.00 H new ATOM 820 N ILE A 133 141.888 7.921 1.512 1.00 0.00 N ATOM 821 CA ILE A 133 140.969 7.140 0.693 1.00 0.00 C ATOM 822 C ILE A 133 141.591 5.808 0.280 1.00 0.00 C ATOM 823 O ILE A 133 140.881 4.841 0.006 1.00 0.00 O ATOM 824 CB ILE A 133 140.551 7.914 -0.573 1.00 0.00 C ATOM 825 CG1 ILE A 133 140.066 9.317 -0.206 1.00 0.00 C ATOM 826 CG2 ILE A 133 139.468 7.153 -1.325 1.00 0.00 C ATOM 827 CD1 ILE A 133 140.560 10.393 -1.149 1.00 0.00 C ATOM 0 H ILE A 133 142.185 8.801 1.090 1.00 0.00 H new ATOM 0 HA ILE A 133 140.086 6.949 1.303 1.00 0.00 H new ATOM 0 HB ILE A 133 141.420 8.011 -1.224 1.00 0.00 H new ATOM 0 HG12 ILE A 133 138.976 9.325 -0.197 1.00 0.00 H new ATOM 0 HG13 ILE A 133 140.395 9.553 0.806 1.00 0.00 H new ATOM 0 HG21 ILE A 133 139.183 7.712 -2.216 1.00 0.00 H new ATOM 0 HG22 ILE A 133 139.847 6.174 -1.616 1.00 0.00 H new ATOM 0 HG23 ILE A 133 138.597 7.028 -0.681 1.00 0.00 H new ATOM 0 HD11 ILE A 133 140.177 11.362 -0.828 1.00 0.00 H new ATOM 0 HD12 ILE A 133 141.650 10.412 -1.140 1.00 0.00 H new ATOM 0 HD13 ILE A 133 140.209 10.181 -2.159 1.00 0.00 H new ATOM 839 N GLU A 134 142.919 5.767 0.236 1.00 0.00 N ATOM 840 CA GLU A 134 143.631 4.553 -0.146 1.00 0.00 C ATOM 841 C GLU A 134 143.488 3.473 0.924 1.00 0.00 C ATOM 842 O GLU A 134 143.400 2.286 0.611 1.00 0.00 O ATOM 843 CB GLU A 134 145.113 4.861 -0.386 1.00 0.00 C ATOM 844 CG GLU A 134 145.553 4.645 -1.824 1.00 0.00 C ATOM 845 CD GLU A 134 146.815 5.411 -2.169 1.00 0.00 C ATOM 846 OE1 GLU A 134 147.804 5.295 -1.416 1.00 0.00 O ATOM 847 OE2 GLU A 134 146.813 6.129 -3.192 1.00 0.00 O ATOM 0 H GLU A 134 143.522 6.558 0.460 1.00 0.00 H new ATOM 0 HA GLU A 134 143.190 4.179 -1.070 1.00 0.00 H new ATOM 0 HB2 GLU A 134 145.311 5.896 -0.106 1.00 0.00 H new ATOM 0 HB3 GLU A 134 145.717 4.232 0.268 1.00 0.00 H new ATOM 0 HG2 GLU A 134 145.720 3.581 -1.993 1.00 0.00 H new ATOM 0 HG3 GLU A 134 144.751 4.952 -2.495 1.00 0.00 H new ATOM 854 N GLU A 135 143.464 3.894 2.184 1.00 0.00 N ATOM 855 CA GLU A 135 143.332 2.963 3.298 1.00 0.00 C ATOM 856 C GLU A 135 141.869 2.594 3.535 1.00 0.00 C ATOM 857 O GLU A 135 141.566 1.503 4.017 1.00 0.00 O ATOM 858 CB GLU A 135 143.927 3.569 4.571 1.00 0.00 C ATOM 859 CG GLU A 135 145.436 3.744 4.512 1.00 0.00 C ATOM 860 CD GLU A 135 146.050 3.955 5.883 1.00 0.00 C ATOM 861 OE1 GLU A 135 145.926 5.075 6.422 1.00 0.00 O ATOM 862 OE2 GLU A 135 146.654 3.002 6.417 1.00 0.00 O ATOM 0 H GLU A 135 143.534 4.874 2.459 1.00 0.00 H new ATOM 0 HA GLU A 135 143.880 2.056 3.043 1.00 0.00 H new ATOM 0 HB2 GLU A 135 143.464 4.539 4.753 1.00 0.00 H new ATOM 0 HB3 GLU A 135 143.676 2.932 5.419 1.00 0.00 H new ATOM 0 HG2 GLU A 135 145.883 2.864 4.049 1.00 0.00 H new ATOM 0 HG3 GLU A 135 145.675 4.596 3.875 1.00 0.00 H new ATOM 869 N LEU A 136 140.970 3.512 3.192 1.00 0.00 N ATOM 870 CA LEU A 136 139.538 3.283 3.368 1.00 0.00 C ATOM 871 C LEU A 136 139.091 2.021 2.637 1.00 0.00 C ATOM 872 O LEU A 136 138.371 1.192 3.192 1.00 0.00 O ATOM 873 CB LEU A 136 138.746 4.492 2.863 1.00 0.00 C ATOM 874 CG LEU A 136 137.716 5.048 3.848 1.00 0.00 C ATOM 875 CD1 LEU A 136 138.410 5.753 5.004 1.00 0.00 C ATOM 876 CD2 LEU A 136 136.761 5.996 3.137 1.00 0.00 C ATOM 0 H LEU A 136 141.206 4.420 2.791 1.00 0.00 H new ATOM 0 HA LEU A 136 139.344 3.147 4.432 1.00 0.00 H new ATOM 0 HB2 LEU A 136 139.448 5.286 2.608 1.00 0.00 H new ATOM 0 HB3 LEU A 136 138.233 4.212 1.943 1.00 0.00 H new ATOM 0 HG LEU A 136 137.139 4.216 4.252 1.00 0.00 H new ATOM 0 HD11 LEU A 136 137.662 6.142 5.695 1.00 0.00 H new ATOM 0 HD12 LEU A 136 139.054 5.046 5.527 1.00 0.00 H new ATOM 0 HD13 LEU A 136 139.012 6.576 4.619 1.00 0.00 H new ATOM 0 HD21 LEU A 136 136.034 6.383 3.851 1.00 0.00 H new ATOM 0 HD22 LEU A 136 137.324 6.824 2.707 1.00 0.00 H new ATOM 0 HD23 LEU A 136 136.240 5.460 2.343 1.00 0.00 H new ATOM 888 N MET A 137 139.519 1.886 1.386 1.00 0.00 N ATOM 889 CA MET A 137 139.163 0.727 0.576 1.00 0.00 C ATOM 890 C MET A 137 139.950 -0.512 1.004 1.00 0.00 C ATOM 891 O MET A 137 139.568 -1.637 0.686 1.00 0.00 O ATOM 892 CB MET A 137 139.415 1.019 -0.905 1.00 0.00 C ATOM 893 CG MET A 137 139.047 -0.134 -1.825 1.00 0.00 C ATOM 894 SD MET A 137 138.692 0.407 -3.507 1.00 0.00 S ATOM 895 CE MET A 137 136.960 0.841 -3.365 1.00 0.00 C ATOM 0 H MET A 137 140.113 2.565 0.911 1.00 0.00 H new ATOM 0 HA MET A 137 138.103 0.526 0.728 1.00 0.00 H new ATOM 0 HB2 MET A 137 138.843 1.901 -1.195 1.00 0.00 H new ATOM 0 HB3 MET A 137 140.468 1.262 -1.045 1.00 0.00 H new ATOM 0 HG2 MET A 137 139.865 -0.854 -1.844 1.00 0.00 H new ATOM 0 HG3 MET A 137 138.176 -0.651 -1.422 1.00 0.00 H new ATOM 0 HE1 MET A 137 136.738 1.676 -4.030 1.00 0.00 H new ATOM 0 HE2 MET A 137 136.346 -0.016 -3.641 1.00 0.00 H new ATOM 0 HE3 MET A 137 136.740 1.128 -2.337 1.00 0.00 H new ATOM 905 N LYS A 138 141.050 -0.298 1.719 1.00 0.00 N ATOM 906 CA LYS A 138 141.888 -1.400 2.181 1.00 0.00 C ATOM 907 C LYS A 138 141.088 -2.386 3.027 1.00 0.00 C ATOM 908 O LYS A 138 140.889 -3.536 2.634 1.00 0.00 O ATOM 909 CB LYS A 138 143.071 -0.860 2.990 1.00 0.00 C ATOM 910 CG LYS A 138 144.155 -1.896 3.245 1.00 0.00 C ATOM 911 CD LYS A 138 145.523 -1.394 2.808 1.00 0.00 C ATOM 912 CE LYS A 138 145.920 -1.961 1.455 1.00 0.00 C ATOM 913 NZ LYS A 138 147.399 -2.017 1.287 1.00 0.00 N ATOM 0 H LYS A 138 141.382 0.627 1.991 1.00 0.00 H new ATOM 0 HA LYS A 138 142.261 -1.928 1.304 1.00 0.00 H new ATOM 0 HB2 LYS A 138 143.507 -0.013 2.460 1.00 0.00 H new ATOM 0 HB3 LYS A 138 142.706 -0.485 3.946 1.00 0.00 H new ATOM 0 HG2 LYS A 138 144.180 -2.144 4.306 1.00 0.00 H new ATOM 0 HG3 LYS A 138 143.915 -2.814 2.709 1.00 0.00 H new ATOM 0 HD2 LYS A 138 145.513 -0.305 2.758 1.00 0.00 H new ATOM 0 HD3 LYS A 138 146.269 -1.672 3.553 1.00 0.00 H new ATOM 0 HE2 LYS A 138 145.504 -2.963 1.345 1.00 0.00 H new ATOM 0 HE3 LYS A 138 145.488 -1.348 0.664 1.00 0.00 H new ATOM 0 HZ1 LYS A 138 147.627 -2.410 0.351 1.00 0.00 H new ATOM 0 HZ2 LYS A 138 147.794 -1.058 1.366 1.00 0.00 H new ATOM 0 HZ3 LYS A 138 147.810 -2.623 2.026 1.00 0.00 H new ATOM 927 N ASP A 139 140.638 -1.933 4.193 1.00 0.00 N ATOM 928 CA ASP A 139 139.867 -2.778 5.099 1.00 0.00 C ATOM 929 C ASP A 139 138.620 -3.344 4.419 1.00 0.00 C ATOM 930 O ASP A 139 138.069 -4.352 4.862 1.00 0.00 O ATOM 931 CB ASP A 139 139.481 -1.993 6.357 1.00 0.00 C ATOM 932 CG ASP A 139 138.399 -0.960 6.101 1.00 0.00 C ATOM 933 OD1 ASP A 139 138.116 -0.673 4.919 1.00 0.00 O ATOM 934 OD2 ASP A 139 137.837 -0.435 7.087 1.00 0.00 O ATOM 0 H ASP A 139 140.794 -0.984 4.533 1.00 0.00 H new ATOM 0 HA ASP A 139 140.497 -3.621 5.385 1.00 0.00 H new ATOM 0 HB2 ASP A 139 139.138 -2.689 7.122 1.00 0.00 H new ATOM 0 HB3 ASP A 139 140.365 -1.494 6.753 1.00 0.00 H new ATOM 939 N GLY A 140 138.179 -2.697 3.344 1.00 0.00 N ATOM 940 CA GLY A 140 137.003 -3.163 2.633 1.00 0.00 C ATOM 941 C GLY A 140 137.347 -4.116 1.505 1.00 0.00 C ATOM 942 O GLY A 140 136.530 -4.951 1.115 1.00 0.00 O ATOM 0 H GLY A 140 138.614 -1.861 2.954 1.00 0.00 H new ATOM 0 HA2 GLY A 140 136.332 -3.661 3.333 1.00 0.00 H new ATOM 0 HA3 GLY A 140 136.463 -2.306 2.229 1.00 0.00 H new ATOM 946 N ASP A 141 138.562 -3.990 0.977 1.00 0.00 N ATOM 947 CA ASP A 141 139.014 -4.844 -0.114 1.00 0.00 C ATOM 948 C ASP A 141 139.418 -6.222 0.401 1.00 0.00 C ATOM 949 O ASP A 141 140.559 -6.432 0.812 1.00 0.00 O ATOM 950 CB ASP A 141 140.191 -4.194 -0.844 1.00 0.00 C ATOM 951 CG ASP A 141 140.404 -4.772 -2.230 1.00 0.00 C ATOM 952 OD1 ASP A 141 139.895 -5.881 -2.494 1.00 0.00 O ATOM 953 OD2 ASP A 141 141.078 -4.113 -3.050 1.00 0.00 O ATOM 0 H ASP A 141 139.250 -3.304 1.288 1.00 0.00 H new ATOM 0 HA ASP A 141 138.185 -4.967 -0.811 1.00 0.00 H new ATOM 0 HB2 ASP A 141 140.017 -3.121 -0.924 1.00 0.00 H new ATOM 0 HB3 ASP A 141 141.098 -4.327 -0.255 1.00 0.00 H new ATOM 958 N LYS A 142 138.475 -7.158 0.374 1.00 0.00 N ATOM 959 CA LYS A 142 138.733 -8.517 0.836 1.00 0.00 C ATOM 960 C LYS A 142 139.200 -9.405 -0.313 1.00 0.00 C ATOM 961 O LYS A 142 139.892 -10.400 -0.099 1.00 0.00 O ATOM 962 CB LYS A 142 137.475 -9.109 1.474 1.00 0.00 C ATOM 963 CG LYS A 142 137.265 -8.680 2.917 1.00 0.00 C ATOM 964 CD LYS A 142 138.475 -9.007 3.779 1.00 0.00 C ATOM 965 CE LYS A 142 138.061 -9.547 5.138 1.00 0.00 C ATOM 966 NZ LYS A 142 139.192 -9.542 6.105 1.00 0.00 N ATOM 0 H LYS A 142 137.525 -7.000 0.037 1.00 0.00 H new ATOM 0 HA LYS A 142 139.526 -8.474 1.583 1.00 0.00 H new ATOM 0 HB2 LYS A 142 136.606 -8.814 0.886 1.00 0.00 H new ATOM 0 HB3 LYS A 142 137.534 -10.197 1.432 1.00 0.00 H new ATOM 0 HG2 LYS A 142 137.070 -7.608 2.954 1.00 0.00 H new ATOM 0 HG3 LYS A 142 136.384 -9.179 3.321 1.00 0.00 H new ATOM 0 HD2 LYS A 142 139.099 -9.741 3.269 1.00 0.00 H new ATOM 0 HD3 LYS A 142 139.081 -8.111 3.912 1.00 0.00 H new ATOM 0 HE2 LYS A 142 137.242 -8.946 5.534 1.00 0.00 H new ATOM 0 HE3 LYS A 142 137.684 -10.564 5.025 1.00 0.00 H new ATOM 0 HZ1 LYS A 142 138.869 -9.918 7.019 1.00 0.00 H new ATOM 0 HZ2 LYS A 142 139.963 -10.136 5.740 1.00 0.00 H new ATOM 0 HZ3 LYS A 142 139.535 -8.569 6.233 1.00 0.00 H new ATOM 980 N ASN A 143 138.819 -9.038 -1.532 1.00 0.00 N ATOM 981 CA ASN A 143 139.201 -9.799 -2.717 1.00 0.00 C ATOM 982 C ASN A 143 140.581 -9.378 -3.220 1.00 0.00 C ATOM 983 O ASN A 143 141.223 -10.106 -3.976 1.00 0.00 O ATOM 984 CB ASN A 143 138.164 -9.613 -3.824 1.00 0.00 C ATOM 985 CG ASN A 143 138.386 -10.558 -4.989 1.00 0.00 C ATOM 986 OD1 ASN A 143 138.525 -10.129 -6.135 1.00 0.00 O ATOM 987 ND2 ASN A 143 138.419 -11.854 -4.702 1.00 0.00 N ATOM 0 H ASN A 143 138.245 -8.217 -1.726 1.00 0.00 H new ATOM 0 HA ASN A 143 139.244 -10.852 -2.440 1.00 0.00 H new ATOM 0 HB2 ASN A 143 137.167 -9.774 -3.414 1.00 0.00 H new ATOM 0 HB3 ASN A 143 138.200 -8.584 -4.182 1.00 0.00 H new ATOM 0 HD21 ASN A 143 138.564 -12.537 -5.445 1.00 0.00 H new ATOM 0 HD22 ASN A 143 138.299 -12.166 -3.738 1.00 0.00 H new ATOM 994 N ASN A 144 141.030 -8.198 -2.798 1.00 0.00 N ATOM 995 CA ASN A 144 142.332 -7.681 -3.207 1.00 0.00 C ATOM 996 C ASN A 144 142.341 -7.347 -4.695 1.00 0.00 C ATOM 997 O ASN A 144 143.376 -7.437 -5.355 1.00 0.00 O ATOM 998 CB ASN A 144 143.435 -8.695 -2.892 1.00 0.00 C ATOM 999 CG ASN A 144 144.698 -8.033 -2.378 1.00 0.00 C ATOM 1000 OD1 ASN A 144 144.668 -6.900 -1.896 1.00 0.00 O ATOM 1001 ND2 ASN A 144 145.819 -8.739 -2.479 1.00 0.00 N ATOM 0 H ASN A 144 140.510 -7.582 -2.173 1.00 0.00 H new ATOM 0 HA ASN A 144 142.522 -6.766 -2.645 1.00 0.00 H new ATOM 0 HB2 ASN A 144 143.071 -9.404 -2.149 1.00 0.00 H new ATOM 0 HB3 ASN A 144 143.667 -9.266 -3.791 1.00 0.00 H new ATOM 0 HD21 ASN A 144 146.701 -8.346 -2.150 1.00 0.00 H new ATOM 0 HD22 ASN A 144 145.798 -9.674 -2.885 1.00 0.00 H new ATOM 1008 N ASP A 145 141.181 -6.962 -5.218 1.00 0.00 N ATOM 1009 CA ASP A 145 141.056 -6.612 -6.628 1.00 0.00 C ATOM 1010 C ASP A 145 141.026 -5.097 -6.820 1.00 0.00 C ATOM 1011 O ASP A 145 140.661 -4.606 -7.889 1.00 0.00 O ATOM 1012 CB ASP A 145 139.792 -7.236 -7.219 1.00 0.00 C ATOM 1013 CG ASP A 145 138.529 -6.735 -6.546 1.00 0.00 C ATOM 1014 OD1 ASP A 145 138.564 -6.497 -5.320 1.00 0.00 O ATOM 1015 OD2 ASP A 145 137.506 -6.579 -7.245 1.00 0.00 O ATOM 0 H ASP A 145 140.314 -6.885 -4.686 1.00 0.00 H new ATOM 0 HA ASP A 145 141.928 -7.006 -7.149 1.00 0.00 H new ATOM 0 HB2 ASP A 145 139.745 -7.013 -8.285 1.00 0.00 H new ATOM 0 HB3 ASP A 145 139.846 -8.320 -7.122 1.00 0.00 H new ATOM 1020 N GLY A 146 141.414 -4.358 -5.782 1.00 0.00 N ATOM 1021 CA GLY A 146 141.423 -2.910 -5.865 1.00 0.00 C ATOM 1022 C GLY A 146 140.031 -2.323 -6.007 1.00 0.00 C ATOM 1023 O GLY A 146 139.872 -1.197 -6.478 1.00 0.00 O ATOM 0 H GLY A 146 141.722 -4.738 -4.887 1.00 0.00 H new ATOM 0 HA2 GLY A 146 141.896 -2.502 -4.972 1.00 0.00 H new ATOM 0 HA3 GLY A 146 142.031 -2.603 -6.716 1.00 0.00 H new ATOM 1027 N ARG A 147 139.020 -3.086 -5.600 1.00 0.00 N ATOM 1028 CA ARG A 147 137.637 -2.629 -5.688 1.00 0.00 C ATOM 1029 C ARG A 147 136.751 -3.373 -4.693 1.00 0.00 C ATOM 1030 O ARG A 147 137.099 -4.456 -4.224 1.00 0.00 O ATOM 1031 CB ARG A 147 137.101 -2.821 -7.107 1.00 0.00 C ATOM 1032 CG ARG A 147 137.943 -2.141 -8.175 1.00 0.00 C ATOM 1033 CD ARG A 147 137.239 -2.140 -9.522 1.00 0.00 C ATOM 1034 NE ARG A 147 137.680 -1.036 -10.371 1.00 0.00 N ATOM 1035 CZ ARG A 147 136.998 -0.592 -11.423 1.00 0.00 C ATOM 1036 NH1 ARG A 147 135.844 -1.155 -11.762 1.00 0.00 N ATOM 1037 NH2 ARG A 147 137.471 0.417 -12.142 1.00 0.00 N ATOM 0 H ARG A 147 139.132 -4.021 -5.207 1.00 0.00 H new ATOM 0 HA ARG A 147 137.618 -1.568 -5.441 1.00 0.00 H new ATOM 0 HB2 ARG A 147 137.047 -3.888 -7.324 1.00 0.00 H new ATOM 0 HB3 ARG A 147 136.084 -2.433 -7.157 1.00 0.00 H new ATOM 0 HG2 ARG A 147 138.156 -1.115 -7.874 1.00 0.00 H new ATOM 0 HG3 ARG A 147 138.901 -2.652 -8.265 1.00 0.00 H new ATOM 0 HD2 ARG A 147 137.428 -3.086 -10.030 1.00 0.00 H new ATOM 0 HD3 ARG A 147 136.162 -2.071 -9.368 1.00 0.00 H new ATOM 0 HE ARG A 147 138.563 -0.579 -10.144 1.00 0.00 H new ATOM 0 HH11 ARG A 147 135.476 -1.933 -11.214 1.00 0.00 H new ATOM 0 HH12 ARG A 147 135.326 -0.810 -12.570 1.00 0.00 H new ATOM 0 HH21 ARG A 147 138.358 0.852 -11.888 1.00 0.00 H new ATOM 0 HH22 ARG A 147 136.948 0.758 -12.949 1.00 0.00 H new ATOM 1051 N ILE A 148 135.602 -2.782 -4.379 1.00 0.00 N ATOM 1052 CA ILE A 148 134.662 -3.386 -3.443 1.00 0.00 C ATOM 1053 C ILE A 148 133.331 -3.690 -4.120 1.00 0.00 C ATOM 1054 O ILE A 148 132.878 -2.945 -4.989 1.00 0.00 O ATOM 1055 CB ILE A 148 134.409 -2.475 -2.226 1.00 0.00 C ATOM 1056 CG1 ILE A 148 135.735 -1.985 -1.643 1.00 0.00 C ATOM 1057 CG2 ILE A 148 133.599 -3.214 -1.170 1.00 0.00 C ATOM 1058 CD1 ILE A 148 135.587 -0.794 -0.722 1.00 0.00 C ATOM 0 H ILE A 148 135.300 -1.885 -4.760 1.00 0.00 H new ATOM 0 HA ILE A 148 135.115 -4.316 -3.101 1.00 0.00 H new ATOM 0 HB ILE A 148 133.836 -1.607 -2.553 1.00 0.00 H new ATOM 0 HG12 ILE A 148 136.205 -2.801 -1.095 1.00 0.00 H new ATOM 0 HG13 ILE A 148 136.406 -1.721 -2.460 1.00 0.00 H new ATOM 0 HG21 ILE A 148 133.429 -2.557 -0.317 1.00 0.00 H new ATOM 0 HG22 ILE A 148 132.641 -3.517 -1.592 1.00 0.00 H new ATOM 0 HG23 ILE A 148 134.147 -4.098 -0.844 1.00 0.00 H new ATOM 0 HD11 ILE A 148 136.567 -0.501 -0.346 1.00 0.00 H new ATOM 0 HD12 ILE A 148 135.145 0.038 -1.271 1.00 0.00 H new ATOM 0 HD13 ILE A 148 134.942 -1.060 0.115 1.00 0.00 H new ATOM 1070 N ASP A 149 132.707 -4.791 -3.714 1.00 0.00 N ATOM 1071 CA ASP A 149 131.425 -5.198 -4.276 1.00 0.00 C ATOM 1072 C ASP A 149 130.456 -5.606 -3.171 1.00 0.00 C ATOM 1073 O ASP A 149 130.850 -5.781 -2.019 1.00 0.00 O ATOM 1074 CB ASP A 149 131.617 -6.354 -5.259 1.00 0.00 C ATOM 1075 CG ASP A 149 132.333 -7.534 -4.632 1.00 0.00 C ATOM 1076 OD1 ASP A 149 131.738 -8.186 -3.747 1.00 0.00 O ATOM 1077 OD2 ASP A 149 133.486 -7.807 -5.022 1.00 0.00 O ATOM 0 H ASP A 149 133.070 -5.418 -2.996 1.00 0.00 H new ATOM 0 HA ASP A 149 131.002 -4.347 -4.810 1.00 0.00 H new ATOM 0 HB2 ASP A 149 130.644 -6.678 -5.629 1.00 0.00 H new ATOM 0 HB3 ASP A 149 132.185 -6.004 -6.121 1.00 0.00 H new ATOM 1082 N TYR A 150 129.185 -5.754 -3.530 1.00 0.00 N ATOM 1083 CA TYR A 150 128.157 -6.136 -2.567 1.00 0.00 C ATOM 1084 C TYR A 150 128.465 -7.491 -1.932 1.00 0.00 C ATOM 1085 O TYR A 150 128.035 -7.769 -0.816 1.00 0.00 O ATOM 1086 CB TYR A 150 126.786 -6.177 -3.244 1.00 0.00 C ATOM 1087 CG TYR A 150 125.671 -6.646 -2.334 1.00 0.00 C ATOM 1088 CD1 TYR A 150 125.286 -5.893 -1.231 1.00 0.00 C ATOM 1089 CD2 TYR A 150 125.005 -7.841 -2.578 1.00 0.00 C ATOM 1090 CE1 TYR A 150 124.268 -6.320 -0.398 1.00 0.00 C ATOM 1091 CE2 TYR A 150 123.987 -8.272 -1.749 1.00 0.00 C ATOM 1092 CZ TYR A 150 123.622 -7.508 -0.662 1.00 0.00 C ATOM 1093 OH TYR A 150 122.609 -7.934 0.167 1.00 0.00 O ATOM 0 H TYR A 150 128.842 -5.615 -4.480 1.00 0.00 H new ATOM 0 HA TYR A 150 128.146 -5.386 -1.777 1.00 0.00 H new ATOM 0 HB2 TYR A 150 126.545 -5.181 -3.616 1.00 0.00 H new ATOM 0 HB3 TYR A 150 126.838 -6.837 -4.110 1.00 0.00 H new ATOM 0 HD1 TYR A 150 125.789 -4.961 -1.021 1.00 0.00 H new ATOM 0 HD2 TYR A 150 125.288 -8.443 -3.429 1.00 0.00 H new ATOM 0 HE1 TYR A 150 123.981 -5.725 0.456 1.00 0.00 H new ATOM 0 HE2 TYR A 150 123.480 -9.204 -1.952 1.00 0.00 H new ATOM 0 HH TYR A 150 122.257 -8.789 -0.159 1.00 0.00 H new ATOM 1103 N ASP A 151 129.203 -8.332 -2.649 1.00 0.00 N ATOM 1104 CA ASP A 151 129.554 -9.657 -2.146 1.00 0.00 C ATOM 1105 C ASP A 151 130.546 -9.564 -0.992 1.00 0.00 C ATOM 1106 O ASP A 151 130.250 -9.977 0.128 1.00 0.00 O ATOM 1107 CB ASP A 151 130.135 -10.516 -3.272 1.00 0.00 C ATOM 1108 CG ASP A 151 129.189 -11.620 -3.705 1.00 0.00 C ATOM 1109 OD1 ASP A 151 128.342 -11.365 -4.586 1.00 0.00 O ATOM 1110 OD2 ASP A 151 129.294 -12.739 -3.158 1.00 0.00 O ATOM 0 H ASP A 151 129.569 -8.121 -3.577 1.00 0.00 H new ATOM 0 HA ASP A 151 128.644 -10.127 -1.773 1.00 0.00 H new ATOM 0 HB2 ASP A 151 130.364 -9.881 -4.128 1.00 0.00 H new ATOM 0 HB3 ASP A 151 131.075 -10.956 -2.941 1.00 0.00 H new ATOM 1115 N GLU A 152 131.725 -9.019 -1.272 1.00 0.00 N ATOM 1116 CA GLU A 152 132.758 -8.874 -0.252 1.00 0.00 C ATOM 1117 C GLU A 152 132.360 -7.829 0.785 1.00 0.00 C ATOM 1118 O GLU A 152 132.860 -7.835 1.908 1.00 0.00 O ATOM 1119 CB GLU A 152 134.091 -8.492 -0.896 1.00 0.00 C ATOM 1120 CG GLU A 152 134.049 -7.165 -1.628 1.00 0.00 C ATOM 1121 CD GLU A 152 135.329 -6.875 -2.388 1.00 0.00 C ATOM 1122 OE1 GLU A 152 135.549 -7.507 -3.443 1.00 0.00 O ATOM 1123 OE2 GLU A 152 136.109 -6.015 -1.928 1.00 0.00 O ATOM 0 H GLU A 152 131.989 -8.671 -2.194 1.00 0.00 H new ATOM 0 HA GLU A 152 132.870 -9.833 0.253 1.00 0.00 H new ATOM 0 HB2 GLU A 152 134.859 -8.448 -0.124 1.00 0.00 H new ATOM 0 HB3 GLU A 152 134.386 -9.275 -1.595 1.00 0.00 H new ATOM 0 HG2 GLU A 152 133.210 -7.165 -2.324 1.00 0.00 H new ATOM 0 HG3 GLU A 152 133.868 -6.365 -0.911 1.00 0.00 H new ATOM 1130 N PHE A 153 131.455 -6.931 0.403 1.00 0.00 N ATOM 1131 CA PHE A 153 130.992 -5.884 1.304 1.00 0.00 C ATOM 1132 C PHE A 153 130.204 -6.480 2.468 1.00 0.00 C ATOM 1133 O PHE A 153 130.206 -5.939 3.573 1.00 0.00 O ATOM 1134 CB PHE A 153 130.122 -4.876 0.546 1.00 0.00 C ATOM 1135 CG PHE A 153 129.608 -3.758 1.407 1.00 0.00 C ATOM 1136 CD1 PHE A 153 130.454 -3.092 2.278 1.00 0.00 C ATOM 1137 CD2 PHE A 153 128.278 -3.373 1.343 1.00 0.00 C ATOM 1138 CE1 PHE A 153 129.983 -2.062 3.071 1.00 0.00 C ATOM 1139 CE2 PHE A 153 127.803 -2.344 2.133 1.00 0.00 C ATOM 1140 CZ PHE A 153 128.656 -1.688 2.998 1.00 0.00 C ATOM 0 H PHE A 153 131.029 -6.909 -0.524 1.00 0.00 H new ATOM 0 HA PHE A 153 131.866 -5.370 1.704 1.00 0.00 H new ATOM 0 HB2 PHE A 153 130.701 -4.454 -0.275 1.00 0.00 H new ATOM 0 HB3 PHE A 153 129.276 -5.400 0.103 1.00 0.00 H new ATOM 0 HD1 PHE A 153 131.493 -3.380 2.338 1.00 0.00 H new ATOM 0 HD2 PHE A 153 127.606 -3.883 0.668 1.00 0.00 H new ATOM 0 HE1 PHE A 153 130.652 -1.551 3.747 1.00 0.00 H new ATOM 0 HE2 PHE A 153 126.765 -2.053 2.074 1.00 0.00 H new ATOM 0 HZ PHE A 153 128.286 -0.884 3.616 1.00 0.00 H new ATOM 1150 N LEU A 154 129.531 -7.598 2.210 1.00 0.00 N ATOM 1151 CA LEU A 154 128.739 -8.270 3.237 1.00 0.00 C ATOM 1152 C LEU A 154 129.601 -8.639 4.439 1.00 0.00 C ATOM 1153 O LEU A 154 129.118 -8.692 5.570 1.00 0.00 O ATOM 1154 CB LEU A 154 128.079 -9.532 2.667 1.00 0.00 C ATOM 1155 CG LEU A 154 126.926 -9.297 1.683 1.00 0.00 C ATOM 1156 CD1 LEU A 154 126.087 -10.557 1.542 1.00 0.00 C ATOM 1157 CD2 LEU A 154 126.057 -8.128 2.126 1.00 0.00 C ATOM 0 H LEU A 154 129.518 -8.058 1.300 1.00 0.00 H new ATOM 0 HA LEU A 154 127.963 -7.578 3.565 1.00 0.00 H new ATOM 0 HB2 LEU A 154 128.844 -10.124 2.166 1.00 0.00 H new ATOM 0 HB3 LEU A 154 127.706 -10.131 3.498 1.00 0.00 H new ATOM 0 HG LEU A 154 127.355 -9.049 0.712 1.00 0.00 H new ATOM 0 HD11 LEU A 154 125.273 -10.375 0.841 1.00 0.00 H new ATOM 0 HD12 LEU A 154 126.711 -11.370 1.171 1.00 0.00 H new ATOM 0 HD13 LEU A 154 125.675 -10.830 2.513 1.00 0.00 H new ATOM 0 HD21 LEU A 154 125.248 -7.984 1.410 1.00 0.00 H new ATOM 0 HD22 LEU A 154 125.638 -8.339 3.110 1.00 0.00 H new ATOM 0 HD23 LEU A 154 126.662 -7.223 2.176 1.00 0.00 H new ATOM 1169 N GLU A 155 130.881 -8.899 4.187 1.00 0.00 N ATOM 1170 CA GLU A 155 131.810 -9.269 5.251 1.00 0.00 C ATOM 1171 C GLU A 155 132.416 -8.030 5.903 1.00 0.00 C ATOM 1172 O GLU A 155 132.783 -8.053 7.079 1.00 0.00 O ATOM 1173 CB GLU A 155 132.919 -10.163 4.698 1.00 0.00 C ATOM 1174 CG GLU A 155 132.403 -11.386 3.956 1.00 0.00 C ATOM 1175 CD GLU A 155 132.202 -12.579 4.869 1.00 0.00 C ATOM 1176 OE1 GLU A 155 131.767 -12.378 6.023 1.00 0.00 O ATOM 1177 OE2 GLU A 155 132.477 -13.715 4.429 1.00 0.00 O ATOM 0 H GLU A 155 131.298 -8.860 3.257 1.00 0.00 H new ATOM 0 HA GLU A 155 131.253 -9.819 6.010 1.00 0.00 H new ATOM 0 HB2 GLU A 155 133.544 -9.577 4.025 1.00 0.00 H new ATOM 0 HB3 GLU A 155 133.555 -10.489 5.521 1.00 0.00 H new ATOM 0 HG2 GLU A 155 131.458 -11.141 3.471 1.00 0.00 H new ATOM 0 HG3 GLU A 155 133.106 -11.651 3.167 1.00 0.00 H new ATOM 1184 N PHE A 156 132.521 -6.950 5.136 1.00 0.00 N ATOM 1185 CA PHE A 156 133.085 -5.704 5.643 1.00 0.00 C ATOM 1186 C PHE A 156 132.081 -4.976 6.531 1.00 0.00 C ATOM 1187 O PHE A 156 132.457 -4.356 7.526 1.00 0.00 O ATOM 1188 CB PHE A 156 133.505 -4.803 4.481 1.00 0.00 C ATOM 1189 CG PHE A 156 134.178 -3.532 4.920 1.00 0.00 C ATOM 1190 CD1 PHE A 156 135.163 -3.556 5.894 1.00 0.00 C ATOM 1191 CD2 PHE A 156 133.826 -2.317 4.357 1.00 0.00 C ATOM 1192 CE1 PHE A 156 135.784 -2.390 6.299 1.00 0.00 C ATOM 1193 CE2 PHE A 156 134.443 -1.148 4.758 1.00 0.00 C ATOM 1194 CZ PHE A 156 135.422 -1.184 5.729 1.00 0.00 C ATOM 0 H PHE A 156 132.223 -6.912 4.161 1.00 0.00 H new ATOM 0 HA PHE A 156 133.963 -5.946 6.242 1.00 0.00 H new ATOM 0 HB2 PHE A 156 134.181 -5.356 3.829 1.00 0.00 H new ATOM 0 HB3 PHE A 156 132.625 -4.553 3.889 1.00 0.00 H new ATOM 0 HD1 PHE A 156 135.449 -4.496 6.342 1.00 0.00 H new ATOM 0 HD2 PHE A 156 133.061 -2.283 3.596 1.00 0.00 H new ATOM 0 HE1 PHE A 156 136.551 -2.421 7.059 1.00 0.00 H new ATOM 0 HE2 PHE A 156 134.159 -0.206 4.312 1.00 0.00 H new ATOM 0 HZ PHE A 156 135.905 -0.271 6.044 1.00 0.00 H new ATOM 1204 N MET A 157 130.807 -5.057 6.168 1.00 0.00 N ATOM 1205 CA MET A 157 129.751 -4.405 6.935 1.00 0.00 C ATOM 1206 C MET A 157 129.325 -5.257 8.134 1.00 0.00 C ATOM 1207 O MET A 157 128.469 -4.849 8.918 1.00 0.00 O ATOM 1208 CB MET A 157 128.542 -4.123 6.038 1.00 0.00 C ATOM 1209 CG MET A 157 128.288 -2.643 5.812 1.00 0.00 C ATOM 1210 SD MET A 157 127.736 -1.795 7.304 1.00 0.00 S ATOM 1211 CE MET A 157 127.723 -0.095 6.744 1.00 0.00 C ATOM 0 H MET A 157 130.479 -5.567 5.348 1.00 0.00 H new ATOM 0 HA MET A 157 130.147 -3.462 7.313 1.00 0.00 H new ATOM 0 HB2 MET A 157 128.693 -4.609 5.074 1.00 0.00 H new ATOM 0 HB3 MET A 157 127.655 -4.572 6.485 1.00 0.00 H new ATOM 0 HG2 MET A 157 129.202 -2.173 5.449 1.00 0.00 H new ATOM 0 HG3 MET A 157 127.536 -2.523 5.032 1.00 0.00 H new ATOM 0 HE1 MET A 157 127.401 0.554 7.559 1.00 0.00 H new ATOM 0 HE2 MET A 157 128.726 0.191 6.426 1.00 0.00 H new ATOM 0 HE3 MET A 157 127.034 0.007 5.906 1.00 0.00 H new ATOM 1221 N LYS A 158 129.924 -6.438 8.270 1.00 0.00 N ATOM 1222 CA LYS A 158 129.599 -7.334 9.375 1.00 0.00 C ATOM 1223 C LYS A 158 130.488 -7.056 10.584 1.00 0.00 C ATOM 1224 O LYS A 158 131.083 -7.972 11.154 1.00 0.00 O ATOM 1225 CB LYS A 158 129.750 -8.792 8.935 1.00 0.00 C ATOM 1226 CG LYS A 158 128.968 -9.770 9.798 1.00 0.00 C ATOM 1227 CD LYS A 158 128.154 -10.737 8.953 1.00 0.00 C ATOM 1228 CE LYS A 158 127.025 -11.365 9.754 1.00 0.00 C ATOM 1229 NZ LYS A 158 126.440 -12.545 9.060 1.00 0.00 N ATOM 0 H LYS A 158 130.634 -6.795 7.631 1.00 0.00 H new ATOM 0 HA LYS A 158 128.564 -7.155 9.664 1.00 0.00 H new ATOM 0 HB2 LYS A 158 129.419 -8.887 7.901 1.00 0.00 H new ATOM 0 HB3 LYS A 158 130.806 -9.063 8.958 1.00 0.00 H new ATOM 0 HG2 LYS A 158 129.657 -10.330 10.430 1.00 0.00 H new ATOM 0 HG3 LYS A 158 128.303 -9.218 10.462 1.00 0.00 H new ATOM 0 HD2 LYS A 158 127.741 -10.211 8.092 1.00 0.00 H new ATOM 0 HD3 LYS A 158 128.806 -11.520 8.566 1.00 0.00 H new ATOM 0 HE2 LYS A 158 127.399 -11.668 10.732 1.00 0.00 H new ATOM 0 HE3 LYS A 158 126.246 -10.622 9.927 1.00 0.00 H new ATOM 0 HZ1 LYS A 158 125.674 -12.944 9.639 1.00 0.00 H new ATOM 0 HZ2 LYS A 158 126.060 -12.252 8.137 1.00 0.00 H new ATOM 0 HZ3 LYS A 158 127.177 -13.265 8.918 1.00 0.00 H new ATOM 1243 N GLY A 159 130.574 -5.788 10.970 1.00 0.00 N ATOM 1244 CA GLY A 159 131.391 -5.412 12.109 1.00 0.00 C ATOM 1245 C GLY A 159 132.694 -4.760 11.694 1.00 0.00 C ATOM 1246 O GLY A 159 133.752 -5.391 11.731 1.00 0.00 O ATOM 0 H GLY A 159 130.092 -5.013 10.514 1.00 0.00 H new ATOM 0 HA2 GLY A 159 130.831 -4.726 12.744 1.00 0.00 H new ATOM 0 HA3 GLY A 159 131.605 -6.298 12.707 1.00 0.00 H new ATOM 1250 N VAL A 160 132.620 -3.494 11.298 1.00 0.00 N ATOM 1251 CA VAL A 160 133.802 -2.755 10.871 1.00 0.00 C ATOM 1252 C VAL A 160 134.561 -2.199 12.072 1.00 0.00 C ATOM 1253 O VAL A 160 135.748 -2.472 12.250 1.00 0.00 O ATOM 1254 CB VAL A 160 133.438 -1.589 9.928 1.00 0.00 C ATOM 1255 CG1 VAL A 160 134.679 -1.082 9.209 1.00 0.00 C ATOM 1256 CG2 VAL A 160 132.369 -2.009 8.926 1.00 0.00 C ATOM 0 H VAL A 160 131.753 -2.958 11.264 1.00 0.00 H new ATOM 0 HA VAL A 160 134.434 -3.460 10.331 1.00 0.00 H new ATOM 0 HB VAL A 160 133.031 -0.778 10.531 1.00 0.00 H new ATOM 0 HG11 VAL A 160 134.406 -0.260 8.548 1.00 0.00 H new ATOM 0 HG12 VAL A 160 135.406 -0.732 9.941 1.00 0.00 H new ATOM 0 HG13 VAL A 160 135.115 -1.890 8.622 1.00 0.00 H new ATOM 0 HG21 VAL A 160 132.131 -1.169 8.274 1.00 0.00 H new ATOM 0 HG22 VAL A 160 132.739 -2.840 8.326 1.00 0.00 H new ATOM 0 HG23 VAL A 160 131.471 -2.319 9.460 1.00 0.00 H new ATOM 1266 N GLU A 161 133.866 -1.416 12.892 1.00 0.00 N ATOM 1267 CA GLU A 161 134.471 -0.820 14.076 1.00 0.00 C ATOM 1268 C GLU A 161 133.785 -1.314 15.345 1.00 0.00 C ATOM 1269 O GLU A 161 132.681 -1.855 15.296 1.00 0.00 O ATOM 1270 CB GLU A 161 134.393 0.705 14.002 1.00 0.00 C ATOM 1271 CG GLU A 161 132.986 1.233 13.764 1.00 0.00 C ATOM 1272 CD GLU A 161 132.963 2.719 13.475 1.00 0.00 C ATOM 1273 OE1 GLU A 161 133.314 3.506 14.378 1.00 0.00 O ATOM 1274 OE2 GLU A 161 132.592 3.099 12.343 1.00 0.00 O ATOM 0 H GLU A 161 132.883 -1.180 12.757 1.00 0.00 H new ATOM 0 HA GLU A 161 135.518 -1.122 14.109 1.00 0.00 H new ATOM 0 HB2 GLU A 161 134.777 1.125 14.931 1.00 0.00 H new ATOM 0 HB3 GLU A 161 135.044 1.055 13.201 1.00 0.00 H new ATOM 0 HG2 GLU A 161 132.537 0.697 12.928 1.00 0.00 H new ATOM 0 HG3 GLU A 161 132.372 1.028 14.641 1.00 0.00 H new TER 1281 GLU A 161 HETATM 1282 CA CA A 162 131.209 2.026 -11.148 1.00 0.00 CA HETATM 1283 CA CA A 163 136.342 -7.627 -5.137 1.00 0.00 CA