USER MOD reduce.3.24.130724 H: found=0, std=0, add=593, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 593 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 15 THR OG1 : rot -120:sc= 0.249 USER MOD Set 1.2: A 18 THR OG1 : rot 126:sc= 0.842 USER MOD Set 2.1: A 2 THR OG1 : rot 180:sc= 0.917 USER MOD Set 2.2: A 4 THR OG1 : rot -77:sc= 0.96 USER MOD Single : A 1 GLY N :NH3+ 167:sc= 0 (180deg=-0.169) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 TYR OH : rot 30:sc= -0.114 USER MOD Single : A 8 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 12 LYS NZ :NH3+ 166:sc= -0.176 (180deg=-0.694) USER MOD Single : A 13 CYS SG : rot -82:sc= -0.362! USER MOD Single : A 14 THR OG1 : rot -19:sc= -1.47! USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 ASN : amide:sc= -8.49! C(o=-8.5!,f=-11!) USER MOD Single : A 27 LYS NZ :NH3+ 150:sc= -0.105 (180deg=-0.936) USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot -147:sc= -3.54! USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 44 HIS : no HE2:sc= -2.2 K(o=-2.2,f=-4.5!) USER MOD Single : A 50 THR OG1 : rot 67:sc= 0.604 USER MOD Single : A 51 MET CE :methyl -148:sc= -0.138 (180deg=-1.37) USER MOD Single : A 52 ASN : amide:sc= -3.28! C(o=-3.3!,f=-11!) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 TYR OH : rot 18:sc= 1.1 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 THR OG1 : rot 180:sc=0.000616 USER MOD Single : A 64 GLN : amide:sc= 0 K(o=0,f=-1.4!) USER MOD Single : A 65 HIS : no HE2:sc= 0.00223 X(o=0.0022,f=-0.14) USER MOD Single : A 67 LYS NZ :NH3+ 162:sc=-0.00156 (180deg=-0.248) USER MOD Single : A 68 HIS : no HD1:sc= 0 X(o=0,f=-0.0031) USER MOD Single : A 69 HIS : no HE2:sc= 0.484 K(o=0.48,f=-5.1!) USER MOD Single : A 70 HIS : no HD1:sc= -4.02! K(o=-4!,f=-2.9) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 73.012 -9.451 1.533 1.00 1.00 N ATOM 2 CA GLY A 1 71.909 -8.643 0.938 1.00 1.00 C ATOM 3 C GLY A 1 72.050 -7.185 1.364 1.00 1.00 C ATOM 4 O GLY A 1 71.058 -6.513 1.648 1.00 1.00 O ATOM 0 H1 GLY A 1 72.796 -10.463 1.429 1.00 1.00 H new ATOM 0 H2 GLY A 1 73.904 -9.235 1.044 1.00 1.00 H new ATOM 0 H3 GLY A 1 73.106 -9.220 2.543 1.00 1.00 H new ATOM 0 HA2 GLY A 1 71.936 -8.718 -0.149 1.00 1.00 H new ATOM 0 HA3 GLY A 1 70.944 -9.034 1.261 1.00 1.00 H new ATOM 10 N THR A 2 73.290 -6.700 1.398 1.00 1.00 N ATOM 11 CA THR A 2 73.556 -5.315 1.782 1.00 1.00 C ATOM 12 C THR A 2 73.221 -4.372 0.635 1.00 1.00 C ATOM 13 O THR A 2 73.104 -4.798 -0.510 1.00 1.00 O ATOM 14 CB THR A 2 75.027 -5.150 2.164 1.00 1.00 C ATOM 15 OG1 THR A 2 75.826 -5.219 0.991 1.00 1.00 O ATOM 16 CG2 THR A 2 75.433 -6.264 3.128 1.00 1.00 C ATOM 0 H THR A 2 74.122 -7.242 1.166 1.00 1.00 H new ATOM 0 HA THR A 2 72.929 -5.069 2.639 1.00 1.00 H new ATOM 0 HB THR A 2 75.173 -4.185 2.649 1.00 1.00 H new ATOM 0 HG1 THR A 2 76.770 -5.112 1.231 1.00 1.00 H new ATOM 0 HG21 THR A 2 76.482 -6.146 3.400 1.00 1.00 H new ATOM 0 HG22 THR A 2 74.817 -6.211 4.026 1.00 1.00 H new ATOM 0 HG23 THR A 2 75.290 -7.232 2.647 1.00 1.00 H new ATOM 24 N LYS A 3 73.062 -3.089 0.964 1.00 1.00 N ATOM 25 CA LYS A 3 72.720 -2.052 -0.021 1.00 1.00 C ATOM 26 C LYS A 3 73.802 -1.899 -1.109 1.00 1.00 C ATOM 27 O LYS A 3 73.528 -1.331 -2.164 1.00 1.00 O ATOM 28 CB LYS A 3 72.327 -0.724 0.642 1.00 1.00 C ATOM 29 CG LYS A 3 71.432 0.107 -0.290 1.00 1.00 C ATOM 30 CD LYS A 3 71.257 1.557 0.245 1.00 1.00 C ATOM 31 CE LYS A 3 70.210 1.589 1.363 1.00 1.00 C ATOM 32 NZ LYS A 3 70.019 2.994 1.822 1.00 1.00 N ATOM 0 H LYS A 3 73.165 -2.737 1.916 1.00 1.00 H new ATOM 0 HA LYS A 3 71.826 -2.393 -0.543 1.00 1.00 H new ATOM 0 HB2 LYS A 3 71.803 -0.920 1.577 1.00 1.00 H new ATOM 0 HB3 LYS A 3 73.224 -0.158 0.892 1.00 1.00 H new ATOM 0 HG2 LYS A 3 71.869 0.135 -1.288 1.00 1.00 H new ATOM 0 HG3 LYS A 3 70.456 -0.370 -0.382 1.00 1.00 H new ATOM 0 HD2 LYS A 3 72.210 1.931 0.619 1.00 1.00 H new ATOM 0 HD3 LYS A 3 70.952 2.217 -0.567 1.00 1.00 H new ATOM 0 HE2 LYS A 3 69.265 1.181 1.004 1.00 1.00 H new ATOM 0 HE3 LYS A 3 70.532 0.963 2.196 1.00 1.00 H new ATOM 0 HZ1 LYS A 3 69.308 3.018 2.581 1.00 1.00 H new ATOM 0 HZ2 LYS A 3 70.921 3.368 2.180 1.00 1.00 H new ATOM 0 HZ3 LYS A 3 69.694 3.578 1.025 1.00 1.00 H new ATOM 46 N THR A 4 74.997 -2.431 -0.912 1.00 1.00 N ATOM 47 CA THR A 4 76.010 -2.345 -1.974 1.00 1.00 C ATOM 48 C THR A 4 75.416 -2.851 -3.315 1.00 1.00 C ATOM 49 O THR A 4 75.400 -2.123 -4.308 1.00 1.00 O ATOM 50 CB THR A 4 77.161 -3.268 -1.578 1.00 1.00 C ATOM 51 OG1 THR A 4 76.641 -4.544 -1.237 1.00 1.00 O ATOM 52 CG2 THR A 4 77.902 -2.680 -0.376 1.00 1.00 C ATOM 0 H THR A 4 75.292 -2.912 -0.062 1.00 1.00 H new ATOM 0 HA THR A 4 76.342 -1.314 -2.096 1.00 1.00 H new ATOM 0 HB THR A 4 77.854 -3.366 -2.414 1.00 1.00 H new ATOM 0 HG1 THR A 4 76.244 -4.507 -0.342 1.00 1.00 H new ATOM 0 HG21 THR A 4 78.723 -3.341 -0.096 1.00 1.00 H new ATOM 0 HG22 THR A 4 78.299 -1.699 -0.638 1.00 1.00 H new ATOM 0 HG23 THR A 4 77.213 -2.581 0.463 1.00 1.00 H new ATOM 60 N ASP A 5 74.927 -4.087 -3.319 1.00 1.00 N ATOM 61 CA ASP A 5 74.318 -4.714 -4.511 1.00 1.00 C ATOM 62 C ASP A 5 73.212 -3.863 -5.139 1.00 1.00 C ATOM 63 O ASP A 5 73.080 -3.787 -6.360 1.00 1.00 O ATOM 64 CB ASP A 5 73.653 -6.013 -4.059 1.00 1.00 C ATOM 65 CG ASP A 5 74.678 -6.920 -3.386 1.00 1.00 C ATOM 66 OD1 ASP A 5 75.855 -6.754 -3.660 1.00 1.00 O ATOM 67 OD2 ASP A 5 74.271 -7.768 -2.609 1.00 1.00 O ATOM 0 H ASP A 5 74.937 -4.693 -2.498 1.00 1.00 H new ATOM 0 HA ASP A 5 75.111 -4.852 -5.246 1.00 1.00 H new ATOM 0 HB2 ASP A 5 72.841 -5.793 -3.367 1.00 1.00 H new ATOM 0 HB3 ASP A 5 73.212 -6.522 -4.916 1.00 1.00 H new ATOM 72 N TYR A 6 72.431 -3.236 -4.284 1.00 1.00 N ATOM 73 CA TYR A 6 71.320 -2.381 -4.692 1.00 1.00 C ATOM 74 C TYR A 6 71.801 -1.118 -5.375 1.00 1.00 C ATOM 75 O TYR A 6 71.450 -0.846 -6.519 1.00 1.00 O ATOM 76 CB TYR A 6 70.548 -1.983 -3.422 1.00 1.00 C ATOM 77 CG TYR A 6 69.807 -3.205 -2.882 1.00 1.00 C ATOM 78 CD1 TYR A 6 70.517 -4.243 -2.278 1.00 1.00 C ATOM 79 CD2 TYR A 6 68.418 -3.301 -3.005 1.00 1.00 C ATOM 80 CE1 TYR A 6 69.851 -5.369 -1.791 1.00 1.00 C ATOM 81 CE2 TYR A 6 67.744 -4.430 -2.519 1.00 1.00 C ATOM 82 CZ TYR A 6 68.464 -5.464 -1.909 1.00 1.00 C ATOM 83 OH TYR A 6 67.809 -6.577 -1.424 1.00 1.00 O ATOM 0 H TYR A 6 72.546 -3.302 -3.273 1.00 1.00 H new ATOM 0 HA TYR A 6 70.697 -2.929 -5.399 1.00 1.00 H new ATOM 0 HB2 TYR A 6 71.236 -1.598 -2.669 1.00 1.00 H new ATOM 0 HB3 TYR A 6 69.841 -1.184 -3.647 1.00 1.00 H new ATOM 0 HD1 TYR A 6 71.591 -4.175 -2.186 1.00 1.00 H new ATOM 0 HD2 TYR A 6 67.863 -2.503 -3.476 1.00 1.00 H new ATOM 0 HE1 TYR A 6 70.409 -6.166 -1.323 1.00 1.00 H new ATOM 0 HE2 TYR A 6 66.671 -4.502 -2.615 1.00 1.00 H new ATOM 0 HH TYR A 6 68.304 -6.941 -0.661 1.00 1.00 H new ATOM 93 N LEU A 7 72.583 -0.329 -4.659 1.00 1.00 N ATOM 94 CA LEU A 7 73.068 0.918 -5.206 1.00 1.00 C ATOM 95 C LEU A 7 73.966 0.678 -6.401 1.00 1.00 C ATOM 96 O LEU A 7 73.919 1.432 -7.357 1.00 1.00 O ATOM 97 CB LEU A 7 73.867 1.697 -4.131 1.00 1.00 C ATOM 98 CG LEU A 7 72.918 2.382 -3.107 1.00 1.00 C ATOM 99 CD1 LEU A 7 73.658 2.625 -1.779 1.00 1.00 C ATOM 100 CD2 LEU A 7 72.418 3.739 -3.638 1.00 1.00 C ATOM 0 H LEU A 7 72.891 -0.530 -3.708 1.00 1.00 H new ATOM 0 HA LEU A 7 72.202 1.499 -5.523 1.00 1.00 H new ATOM 0 HB2 LEU A 7 74.538 1.015 -3.608 1.00 1.00 H new ATOM 0 HB3 LEU A 7 74.490 2.450 -4.613 1.00 1.00 H new ATOM 0 HG LEU A 7 72.068 1.718 -2.951 1.00 1.00 H new ATOM 0 HD11 LEU A 7 72.984 3.105 -1.069 1.00 1.00 H new ATOM 0 HD12 LEU A 7 73.996 1.672 -1.371 1.00 1.00 H new ATOM 0 HD13 LEU A 7 74.519 3.270 -1.955 1.00 1.00 H new ATOM 0 HD21 LEU A 7 71.756 4.196 -2.902 1.00 1.00 H new ATOM 0 HD22 LEU A 7 73.269 4.395 -3.818 1.00 1.00 H new ATOM 0 HD23 LEU A 7 71.874 3.587 -4.570 1.00 1.00 H new ATOM 112 N MET A 8 74.824 -0.347 -6.346 1.00 1.00 N ATOM 113 CA MET A 8 75.738 -0.530 -7.484 1.00 1.00 C ATOM 114 C MET A 8 74.887 -0.905 -8.694 1.00 1.00 C ATOM 115 O MET A 8 74.927 -0.235 -9.724 1.00 1.00 O ATOM 116 CB MET A 8 76.808 -1.588 -7.184 1.00 1.00 C ATOM 117 CG MET A 8 77.821 -1.063 -6.139 1.00 1.00 C ATOM 118 SD MET A 8 79.322 -2.077 -6.207 1.00 1.00 S ATOM 119 CE MET A 8 80.190 -1.136 -7.487 1.00 1.00 C ATOM 0 H MET A 8 74.907 -1.021 -5.585 1.00 1.00 H new ATOM 0 HA MET A 8 76.285 0.391 -7.684 1.00 1.00 H new ATOM 0 HB2 MET A 8 76.334 -2.497 -6.813 1.00 1.00 H new ATOM 0 HB3 MET A 8 77.331 -1.854 -8.103 1.00 1.00 H new ATOM 0 HG2 MET A 8 78.063 -0.019 -6.341 1.00 1.00 H new ATOM 0 HG3 MET A 8 77.386 -1.102 -5.140 1.00 1.00 H new ATOM 0 HE1 MET A 8 81.157 -1.598 -7.686 1.00 1.00 H new ATOM 0 HE2 MET A 8 79.596 -1.131 -8.401 1.00 1.00 H new ATOM 0 HE3 MET A 8 80.341 -0.112 -7.146 1.00 1.00 H new ATOM 129 N ARG A 9 74.162 -2.009 -8.583 1.00 1.00 N ATOM 130 CA ARG A 9 73.363 -2.497 -9.699 1.00 1.00 C ATOM 131 C ARG A 9 72.470 -1.385 -10.266 1.00 1.00 C ATOM 132 O ARG A 9 72.441 -1.176 -11.478 1.00 1.00 O ATOM 133 CB ARG A 9 72.501 -3.656 -9.187 1.00 1.00 C ATOM 134 CG ARG A 9 71.783 -4.366 -10.343 1.00 1.00 C ATOM 135 CD ARG A 9 70.669 -5.269 -9.789 1.00 1.00 C ATOM 136 NE ARG A 9 70.187 -6.162 -10.836 1.00 1.00 N ATOM 137 CZ ARG A 9 70.938 -7.163 -11.283 1.00 1.00 C ATOM 138 NH1 ARG A 9 72.118 -7.376 -10.767 1.00 1.00 N ATOM 139 NH2 ARG A 9 70.497 -7.936 -12.237 1.00 1.00 N ATOM 0 H ARG A 9 74.110 -2.580 -7.739 1.00 1.00 H new ATOM 0 HA ARG A 9 74.019 -2.831 -10.503 1.00 1.00 H new ATOM 0 HB2 ARG A 9 73.127 -4.369 -8.651 1.00 1.00 H new ATOM 0 HB3 ARG A 9 71.766 -3.280 -8.475 1.00 1.00 H new ATOM 0 HG2 ARG A 9 71.361 -3.630 -11.027 1.00 1.00 H new ATOM 0 HG3 ARG A 9 72.495 -4.961 -10.915 1.00 1.00 H new ATOM 0 HD2 ARG A 9 71.045 -5.851 -8.948 1.00 1.00 H new ATOM 0 HD3 ARG A 9 69.848 -4.659 -9.413 1.00 1.00 H new ATOM 0 HE ARG A 9 69.258 -6.016 -11.232 1.00 1.00 H new ATOM 0 HH11 ARG A 9 72.464 -6.774 -10.020 1.00 1.00 H new ATOM 0 HH12 ARG A 9 72.694 -8.145 -11.111 1.00 1.00 H new ATOM 0 HH21 ARG A 9 69.575 -7.772 -12.641 1.00 1.00 H new ATOM 0 HH22 ARG A 9 71.075 -8.704 -12.579 1.00 1.00 H new ATOM 153 N LEU A 10 71.766 -0.662 -9.407 1.00 1.00 N ATOM 154 CA LEU A 10 70.913 0.430 -9.879 1.00 1.00 C ATOM 155 C LEU A 10 71.755 1.572 -10.461 1.00 1.00 C ATOM 156 O LEU A 10 71.481 2.076 -11.545 1.00 1.00 O ATOM 157 CB LEU A 10 70.131 0.988 -8.675 1.00 1.00 C ATOM 158 CG LEU A 10 69.106 -0.051 -8.162 1.00 1.00 C ATOM 159 CD1 LEU A 10 68.541 0.448 -6.817 1.00 1.00 C ATOM 160 CD2 LEU A 10 67.946 -0.252 -9.182 1.00 1.00 C ATOM 0 H LEU A 10 71.764 -0.804 -8.397 1.00 1.00 H new ATOM 0 HA LEU A 10 70.248 0.045 -10.652 1.00 1.00 H new ATOM 0 HB2 LEU A 10 70.823 1.250 -7.875 1.00 1.00 H new ATOM 0 HB3 LEU A 10 69.615 1.904 -8.963 1.00 1.00 H new ATOM 0 HG LEU A 10 69.604 -1.012 -8.035 1.00 1.00 H new ATOM 0 HD11 LEU A 10 67.815 -0.271 -6.438 1.00 1.00 H new ATOM 0 HD12 LEU A 10 69.354 0.557 -6.099 1.00 1.00 H new ATOM 0 HD13 LEU A 10 68.054 1.412 -6.962 1.00 1.00 H new ATOM 0 HD21 LEU A 10 67.242 -0.988 -8.793 1.00 1.00 H new ATOM 0 HD22 LEU A 10 67.431 0.696 -9.338 1.00 1.00 H new ATOM 0 HD23 LEU A 10 68.352 -0.605 -10.130 1.00 1.00 H new ATOM 172 N ARG A 11 72.685 2.050 -9.641 1.00 1.00 N ATOM 173 CA ARG A 11 73.468 3.239 -10.014 1.00 1.00 C ATOM 174 C ARG A 11 74.133 3.066 -11.386 1.00 1.00 C ATOM 175 O ARG A 11 74.484 4.049 -12.024 1.00 1.00 O ATOM 176 CB ARG A 11 74.491 3.608 -8.905 1.00 1.00 C ATOM 177 CG ARG A 11 75.289 4.951 -9.208 1.00 1.00 C ATOM 178 CD ARG A 11 75.014 6.027 -8.101 1.00 1.00 C ATOM 179 NE ARG A 11 75.360 5.485 -6.790 1.00 1.00 N ATOM 180 CZ ARG A 11 76.625 5.261 -6.448 1.00 1.00 C ATOM 181 NH1 ARG A 11 77.586 5.540 -7.285 1.00 1.00 N ATOM 182 NH2 ARG A 11 76.906 4.767 -5.274 1.00 1.00 N ATOM 0 H ARG A 11 72.917 1.649 -8.732 1.00 1.00 H new ATOM 0 HA ARG A 11 72.779 4.079 -10.104 1.00 1.00 H new ATOM 0 HB2 ARG A 11 73.966 3.712 -7.956 1.00 1.00 H new ATOM 0 HB3 ARG A 11 75.201 2.790 -8.789 1.00 1.00 H new ATOM 0 HG2 ARG A 11 76.357 4.740 -9.259 1.00 1.00 H new ATOM 0 HG3 ARG A 11 74.995 5.342 -10.182 1.00 1.00 H new ATOM 0 HD2 ARG A 11 75.599 6.925 -8.300 1.00 1.00 H new ATOM 0 HD3 ARG A 11 73.964 6.320 -8.118 1.00 1.00 H new ATOM 0 HE ARG A 11 74.617 5.274 -6.124 1.00 1.00 H new ATOM 0 HH11 ARG A 11 77.367 5.930 -8.202 1.00 1.00 H new ATOM 0 HH12 ARG A 11 78.557 5.368 -7.023 1.00 1.00 H new ATOM 0 HH21 ARG A 11 76.155 4.552 -4.618 1.00 1.00 H new ATOM 0 HH22 ARG A 11 77.877 4.595 -5.012 1.00 1.00 H new ATOM 196 N LYS A 12 74.276 1.825 -11.882 1.00 1.00 N ATOM 197 CA LYS A 12 74.878 1.604 -13.225 1.00 1.00 C ATOM 198 C LYS A 12 73.768 1.431 -14.275 1.00 1.00 C ATOM 199 O LYS A 12 74.062 1.247 -15.453 1.00 1.00 O ATOM 200 CB LYS A 12 75.834 0.377 -13.191 1.00 1.00 C ATOM 201 CG LYS A 12 77.273 0.816 -12.825 1.00 1.00 C ATOM 202 CD LYS A 12 77.278 1.458 -11.428 1.00 1.00 C ATOM 203 CE LYS A 12 78.725 1.776 -10.987 1.00 1.00 C ATOM 204 NZ LYS A 12 79.535 2.166 -12.176 1.00 1.00 N ATOM 0 H LYS A 12 73.994 0.974 -11.395 1.00 1.00 H new ATOM 0 HA LYS A 12 75.471 2.475 -13.504 1.00 1.00 H new ATOM 0 HB2 LYS A 12 75.474 -0.351 -12.464 1.00 1.00 H new ATOM 0 HB3 LYS A 12 75.835 -0.117 -14.163 1.00 1.00 H new ATOM 0 HG2 LYS A 12 77.942 -0.044 -12.843 1.00 1.00 H new ATOM 0 HG3 LYS A 12 77.646 1.526 -13.563 1.00 1.00 H new ATOM 0 HD2 LYS A 12 76.685 2.372 -11.439 1.00 1.00 H new ATOM 0 HD3 LYS A 12 76.812 0.784 -10.709 1.00 1.00 H new ATOM 0 HE2 LYS A 12 78.724 2.583 -10.254 1.00 1.00 H new ATOM 0 HE3 LYS A 12 79.168 0.906 -10.502 1.00 1.00 H new ATOM 0 HZ1 LYS A 12 80.425 2.603 -11.862 1.00 1.00 H new ATOM 0 HZ2 LYS A 12 79.746 1.321 -12.745 1.00 1.00 H new ATOM 0 HZ3 LYS A 12 79.000 2.846 -12.753 1.00 1.00 H new ATOM 218 N CYS A 13 72.494 1.498 -13.856 1.00 1.00 N ATOM 219 CA CYS A 13 71.366 1.359 -14.800 1.00 1.00 C ATOM 220 C CYS A 13 71.639 2.166 -16.071 1.00 1.00 C ATOM 221 O CYS A 13 71.528 1.655 -17.185 1.00 1.00 O ATOM 222 CB CYS A 13 70.068 1.850 -14.146 1.00 1.00 C ATOM 223 SG CYS A 13 70.249 3.588 -13.672 1.00 1.00 S ATOM 0 H CYS A 13 72.218 1.645 -12.885 1.00 1.00 H new ATOM 0 HA CYS A 13 71.259 0.306 -15.062 1.00 1.00 H new ATOM 0 HB2 CYS A 13 69.234 1.736 -14.838 1.00 1.00 H new ATOM 0 HB3 CYS A 13 69.839 1.245 -13.269 1.00 1.00 H new ATOM 0 HG CYS A 13 70.868 3.665 -12.531 1.00 1.00 H new ATOM 229 N THR A 14 72.052 3.419 -15.874 1.00 1.00 N ATOM 230 CA THR A 14 72.421 4.320 -16.975 1.00 1.00 C ATOM 231 C THR A 14 71.223 5.067 -17.588 1.00 1.00 C ATOM 232 O THR A 14 71.429 6.041 -18.312 1.00 1.00 O ATOM 233 CB THR A 14 73.182 3.534 -18.088 1.00 1.00 C ATOM 234 OG1 THR A 14 73.895 2.462 -17.496 1.00 1.00 O ATOM 235 CG2 THR A 14 74.180 4.440 -18.824 1.00 1.00 C ATOM 0 H THR A 14 72.141 3.840 -14.949 1.00 1.00 H new ATOM 0 HA THR A 14 73.072 5.078 -16.540 1.00 1.00 H new ATOM 0 HB THR A 14 72.450 3.163 -18.805 1.00 1.00 H new ATOM 0 HG1 THR A 14 73.999 2.629 -16.536 1.00 1.00 H new ATOM 0 HG21 THR A 14 74.695 3.865 -19.593 1.00 1.00 H new ATOM 0 HG22 THR A 14 73.645 5.269 -19.288 1.00 1.00 H new ATOM 0 HG23 THR A 14 74.909 4.830 -18.114 1.00 1.00 H new ATOM 243 N THR A 15 69.975 4.628 -17.331 1.00 1.00 N ATOM 244 CA THR A 15 68.794 5.309 -17.918 1.00 1.00 C ATOM 245 C THR A 15 67.617 5.376 -16.936 1.00 1.00 C ATOM 246 O THR A 15 67.307 4.411 -16.237 1.00 1.00 O ATOM 247 CB THR A 15 68.364 4.561 -19.204 1.00 1.00 C ATOM 248 OG1 THR A 15 68.399 3.165 -18.963 1.00 1.00 O ATOM 249 CG2 THR A 15 69.324 4.881 -20.362 1.00 1.00 C ATOM 0 H THR A 15 69.757 3.827 -16.738 1.00 1.00 H new ATOM 0 HA THR A 15 69.079 6.335 -18.152 1.00 1.00 H new ATOM 0 HB THR A 15 67.357 4.880 -19.473 1.00 1.00 H new ATOM 0 HG1 THR A 15 69.028 2.742 -19.584 1.00 1.00 H new ATOM 0 HG21 THR A 15 69.006 4.346 -21.257 1.00 1.00 H new ATOM 0 HG22 THR A 15 69.314 5.953 -20.557 1.00 1.00 H new ATOM 0 HG23 THR A 15 70.334 4.570 -20.094 1.00 1.00 H new ATOM 257 N ILE A 16 66.971 6.535 -16.917 1.00 1.00 N ATOM 258 CA ILE A 16 65.821 6.713 -16.029 1.00 1.00 C ATOM 259 C ILE A 16 64.680 5.799 -16.489 1.00 1.00 C ATOM 260 O ILE A 16 64.168 5.000 -15.704 1.00 1.00 O ATOM 261 CB ILE A 16 65.314 8.168 -16.030 1.00 1.00 C ATOM 262 CG1 ILE A 16 66.428 9.138 -15.590 1.00 1.00 C ATOM 263 CG2 ILE A 16 64.122 8.286 -15.067 1.00 1.00 C ATOM 264 CD1 ILE A 16 66.031 10.579 -15.945 1.00 1.00 C ATOM 0 H ILE A 16 67.211 7.346 -17.487 1.00 1.00 H new ATOM 0 HA ILE A 16 66.142 6.461 -15.018 1.00 1.00 H new ATOM 0 HB ILE A 16 65.008 8.432 -17.042 1.00 1.00 H new ATOM 0 HG12 ILE A 16 66.596 9.051 -14.517 1.00 1.00 H new ATOM 0 HG13 ILE A 16 67.365 8.877 -16.082 1.00 1.00 H new ATOM 0 HG21 ILE A 16 63.758 9.313 -15.063 1.00 1.00 H new ATOM 0 HG22 ILE A 16 63.323 7.620 -15.393 1.00 1.00 H new ATOM 0 HG23 ILE A 16 64.438 8.009 -14.061 1.00 1.00 H new ATOM 0 HD11 ILE A 16 66.821 11.262 -15.632 1.00 1.00 H new ATOM 0 HD12 ILE A 16 65.885 10.661 -17.022 1.00 1.00 H new ATOM 0 HD13 ILE A 16 65.104 10.838 -15.433 1.00 1.00 H new ATOM 276 N ASP A 17 64.228 5.975 -17.723 1.00 1.00 N ATOM 277 CA ASP A 17 63.079 5.218 -18.230 1.00 1.00 C ATOM 278 C ASP A 17 63.244 3.704 -18.041 1.00 1.00 C ATOM 279 O ASP A 17 62.269 2.955 -17.970 1.00 1.00 O ATOM 280 CB ASP A 17 62.853 5.534 -19.712 1.00 1.00 C ATOM 281 CG ASP A 17 64.019 5.011 -20.543 1.00 1.00 C ATOM 282 OD1 ASP A 17 65.011 4.614 -19.954 1.00 1.00 O ATOM 283 OD2 ASP A 17 63.904 5.015 -21.758 1.00 1.00 O ATOM 0 H ASP A 17 64.633 6.630 -18.392 1.00 1.00 H new ATOM 0 HA ASP A 17 62.211 5.526 -17.648 1.00 1.00 H new ATOM 0 HB2 ASP A 17 61.922 5.079 -20.051 1.00 1.00 H new ATOM 0 HB3 ASP A 17 62.751 6.610 -19.851 1.00 1.00 H new ATOM 288 N THR A 18 64.508 3.290 -17.914 1.00 1.00 N ATOM 289 CA THR A 18 64.827 1.863 -17.677 1.00 1.00 C ATOM 290 C THR A 18 64.554 1.518 -16.216 1.00 1.00 C ATOM 291 O THR A 18 63.979 0.473 -15.910 1.00 1.00 O ATOM 292 CB THR A 18 66.260 1.516 -18.064 1.00 1.00 C ATOM 293 OG1 THR A 18 66.467 1.831 -19.434 1.00 1.00 O ATOM 294 CG2 THR A 18 66.504 0.023 -17.837 1.00 1.00 C ATOM 0 H THR A 18 65.321 3.904 -17.969 1.00 1.00 H new ATOM 0 HA THR A 18 64.183 1.262 -18.319 1.00 1.00 H new ATOM 0 HB THR A 18 66.953 2.091 -17.450 1.00 1.00 H new ATOM 0 HG1 THR A 18 67.243 2.423 -19.520 1.00 1.00 H new ATOM 0 HG21 THR A 18 67.529 -0.224 -18.114 1.00 1.00 H new ATOM 0 HG22 THR A 18 66.344 -0.216 -16.786 1.00 1.00 H new ATOM 0 HG23 THR A 18 65.813 -0.556 -18.450 1.00 1.00 H new ATOM 302 N LEU A 19 65.017 2.382 -15.316 1.00 1.00 N ATOM 303 CA LEU A 19 64.873 2.146 -13.872 1.00 1.00 C ATOM 304 C LEU A 19 63.461 1.617 -13.558 1.00 1.00 C ATOM 305 O LEU A 19 63.284 0.773 -12.700 1.00 1.00 O ATOM 306 CB LEU A 19 65.116 3.468 -13.114 1.00 1.00 C ATOM 307 CG LEU A 19 65.140 3.230 -11.564 1.00 1.00 C ATOM 308 CD1 LEU A 19 66.543 2.803 -11.105 1.00 1.00 C ATOM 309 CD2 LEU A 19 64.752 4.517 -10.810 1.00 1.00 C ATOM 0 H LEU A 19 65.495 3.251 -15.555 1.00 1.00 H new ATOM 0 HA LEU A 19 65.604 1.402 -13.555 1.00 1.00 H new ATOM 0 HB2 LEU A 19 66.062 3.906 -13.433 1.00 1.00 H new ATOM 0 HB3 LEU A 19 64.333 4.184 -13.364 1.00 1.00 H new ATOM 0 HG LEU A 19 64.421 2.441 -11.341 1.00 1.00 H new ATOM 0 HD11 LEU A 19 66.540 2.643 -10.027 1.00 1.00 H new ATOM 0 HD12 LEU A 19 66.825 1.878 -11.609 1.00 1.00 H new ATOM 0 HD13 LEU A 19 67.261 3.585 -11.353 1.00 1.00 H new ATOM 0 HD21 LEU A 19 64.775 4.331 -9.736 1.00 1.00 H new ATOM 0 HD22 LEU A 19 65.459 5.310 -11.056 1.00 1.00 H new ATOM 0 HD23 LEU A 19 63.748 4.822 -11.104 1.00 1.00 H new ATOM 321 N GLU A 20 62.496 2.060 -14.338 1.00 1.00 N ATOM 322 CA GLU A 20 61.120 1.573 -14.208 1.00 1.00 C ATOM 323 C GLU A 20 61.076 0.075 -14.529 1.00 1.00 C ATOM 324 O GLU A 20 60.489 -0.720 -13.794 1.00 1.00 O ATOM 325 CB GLU A 20 60.248 2.336 -15.209 1.00 1.00 C ATOM 326 CG GLU A 20 60.079 3.797 -14.747 1.00 1.00 C ATOM 327 CD GLU A 20 59.078 3.875 -13.597 1.00 1.00 C ATOM 328 OE1 GLU A 20 58.038 3.245 -13.698 1.00 1.00 O ATOM 329 OE2 GLU A 20 59.367 4.564 -12.632 1.00 1.00 O ATOM 0 H GLU A 20 62.630 2.756 -15.071 1.00 1.00 H new ATOM 0 HA GLU A 20 60.756 1.730 -13.192 1.00 1.00 H new ATOM 0 HB2 GLU A 20 60.705 2.308 -16.198 1.00 1.00 H new ATOM 0 HB3 GLU A 20 59.273 1.857 -15.295 1.00 1.00 H new ATOM 0 HG2 GLU A 20 61.041 4.199 -14.429 1.00 1.00 H new ATOM 0 HG3 GLU A 20 59.736 4.412 -15.579 1.00 1.00 H new ATOM 336 N ARG A 21 61.605 -0.260 -15.685 1.00 1.00 N ATOM 337 CA ARG A 21 61.520 -1.640 -16.168 1.00 1.00 C ATOM 338 C ARG A 21 61.943 -2.644 -15.079 1.00 1.00 C ATOM 339 O ARG A 21 61.247 -3.634 -14.858 1.00 1.00 O ATOM 340 CB ARG A 21 62.410 -1.822 -17.401 1.00 1.00 C ATOM 341 CG ARG A 21 62.151 -3.209 -18.009 1.00 1.00 C ATOM 342 CD ARG A 21 62.921 -3.381 -19.325 1.00 1.00 C ATOM 343 NE ARG A 21 62.756 -4.744 -19.819 1.00 1.00 N ATOM 344 CZ ARG A 21 63.355 -5.150 -20.933 1.00 1.00 C ATOM 345 NH1 ARG A 21 64.106 -4.323 -21.608 1.00 1.00 N ATOM 346 NH2 ARG A 21 63.193 -6.376 -21.352 1.00 1.00 N ATOM 0 H ARG A 21 62.093 0.385 -16.307 1.00 1.00 H new ATOM 0 HA ARG A 21 60.481 -1.835 -16.432 1.00 1.00 H new ATOM 0 HB2 ARG A 21 62.199 -1.044 -18.135 1.00 1.00 H new ATOM 0 HB3 ARG A 21 63.460 -1.723 -17.125 1.00 1.00 H new ATOM 0 HG2 ARG A 21 62.452 -3.982 -17.303 1.00 1.00 H new ATOM 0 HG3 ARG A 21 61.084 -3.339 -18.188 1.00 1.00 H new ATOM 0 HD2 ARG A 21 62.557 -2.669 -20.066 1.00 1.00 H new ATOM 0 HD3 ARG A 21 63.978 -3.166 -19.169 1.00 1.00 H new ATOM 0 HE ARG A 21 62.170 -5.397 -19.299 1.00 1.00 H new ATOM 0 HH11 ARG A 21 64.233 -3.366 -21.280 1.00 1.00 H new ATOM 0 HH12 ARG A 21 64.566 -4.634 -22.463 1.00 1.00 H new ATOM 0 HH21 ARG A 21 62.606 -7.022 -20.824 1.00 1.00 H new ATOM 0 HH22 ARG A 21 63.653 -6.688 -22.207 1.00 1.00 H new ATOM 360 N VAL A 22 63.071 -2.415 -14.417 1.00 1.00 N ATOM 361 CA VAL A 22 63.545 -3.342 -13.377 1.00 1.00 C ATOM 362 C VAL A 22 62.648 -3.323 -12.111 1.00 1.00 C ATOM 363 O VAL A 22 62.318 -4.369 -11.558 1.00 1.00 O ATOM 364 CB VAL A 22 64.999 -2.956 -13.025 1.00 1.00 C ATOM 365 CG1 VAL A 22 65.482 -3.715 -11.782 1.00 1.00 C ATOM 366 CG2 VAL A 22 65.915 -3.287 -14.213 1.00 1.00 C ATOM 0 H VAL A 22 63.674 -1.607 -14.574 1.00 1.00 H new ATOM 0 HA VAL A 22 63.498 -4.361 -13.762 1.00 1.00 H new ATOM 0 HB VAL A 22 65.032 -1.887 -12.812 1.00 1.00 H new ATOM 0 HG11 VAL A 22 66.508 -3.426 -11.555 1.00 1.00 H new ATOM 0 HG12 VAL A 22 64.841 -3.472 -10.935 1.00 1.00 H new ATOM 0 HG13 VAL A 22 65.441 -4.788 -11.972 1.00 1.00 H new ATOM 0 HG21 VAL A 22 66.942 -3.016 -13.967 1.00 1.00 H new ATOM 0 HG22 VAL A 22 65.863 -4.355 -14.426 1.00 1.00 H new ATOM 0 HG23 VAL A 22 65.591 -2.726 -15.090 1.00 1.00 H new ATOM 376 N ILE A 23 62.364 -2.129 -11.609 1.00 1.00 N ATOM 377 CA ILE A 23 61.626 -2.004 -10.331 1.00 1.00 C ATOM 378 C ILE A 23 60.430 -2.994 -10.268 1.00 1.00 C ATOM 379 O ILE A 23 60.278 -3.696 -9.267 1.00 1.00 O ATOM 380 CB ILE A 23 61.135 -0.545 -10.120 1.00 1.00 C ATOM 381 CG1 ILE A 23 62.349 0.389 -9.853 1.00 1.00 C ATOM 382 CG2 ILE A 23 60.180 -0.475 -8.907 1.00 1.00 C ATOM 383 CD1 ILE A 23 61.965 1.850 -10.128 1.00 1.00 C ATOM 0 H ILE A 23 62.621 -1.243 -12.045 1.00 1.00 H new ATOM 0 HA ILE A 23 62.315 -2.259 -9.526 1.00 1.00 H new ATOM 0 HB ILE A 23 60.610 -0.224 -11.020 1.00 1.00 H new ATOM 0 HG12 ILE A 23 62.680 0.281 -8.820 1.00 1.00 H new ATOM 0 HG13 ILE A 23 63.186 0.100 -10.488 1.00 1.00 H new ATOM 0 HG21 ILE A 23 59.842 0.552 -8.769 1.00 1.00 H new ATOM 0 HG22 ILE A 23 59.319 -1.119 -9.084 1.00 1.00 H new ATOM 0 HG23 ILE A 23 60.704 -0.808 -8.011 1.00 1.00 H new ATOM 0 HD11 ILE A 23 62.824 2.494 -9.937 1.00 1.00 H new ATOM 0 HD12 ILE A 23 61.656 1.955 -11.168 1.00 1.00 H new ATOM 0 HD13 ILE A 23 61.142 2.139 -9.474 1.00 1.00 H new ATOM 395 N GLU A 24 59.604 -3.073 -11.306 1.00 1.00 N ATOM 396 CA GLU A 24 58.463 -4.013 -11.295 1.00 1.00 C ATOM 397 C GLU A 24 58.948 -5.472 -11.124 1.00 1.00 C ATOM 398 O GLU A 24 58.271 -6.313 -10.538 1.00 1.00 O ATOM 399 CB GLU A 24 57.664 -3.866 -12.600 1.00 1.00 C ATOM 400 CG GLU A 24 56.563 -4.933 -12.673 1.00 1.00 C ATOM 401 CD GLU A 24 55.581 -4.605 -13.794 1.00 1.00 C ATOM 402 OE1 GLU A 24 55.790 -3.608 -14.466 1.00 1.00 O ATOM 403 OE2 GLU A 24 54.635 -5.357 -13.964 1.00 1.00 O ATOM 0 H GLU A 24 59.690 -2.514 -12.155 1.00 1.00 H new ATOM 0 HA GLU A 24 57.821 -3.773 -10.448 1.00 1.00 H new ATOM 0 HB2 GLU A 24 57.220 -2.872 -12.653 1.00 1.00 H new ATOM 0 HB3 GLU A 24 58.332 -3.963 -13.456 1.00 1.00 H new ATOM 0 HG2 GLU A 24 57.008 -5.913 -12.845 1.00 1.00 H new ATOM 0 HG3 GLU A 24 56.034 -4.986 -11.721 1.00 1.00 H new ATOM 410 N LYS A 25 60.132 -5.720 -11.648 1.00 1.00 N ATOM 411 CA LYS A 25 60.703 -7.073 -11.537 1.00 1.00 C ATOM 412 C LYS A 25 60.905 -7.383 -10.034 1.00 1.00 C ATOM 413 O LYS A 25 60.377 -8.370 -9.522 1.00 1.00 O ATOM 414 CB LYS A 25 62.017 -7.233 -12.354 1.00 1.00 C ATOM 415 CG LYS A 25 62.400 -8.731 -12.386 1.00 1.00 C ATOM 416 CD LYS A 25 63.760 -8.957 -13.093 1.00 1.00 C ATOM 417 CE LYS A 25 63.785 -8.272 -14.468 1.00 1.00 C ATOM 418 NZ LYS A 25 64.855 -8.892 -15.301 1.00 1.00 N ATOM 0 H LYS A 25 60.710 -5.039 -12.140 1.00 1.00 H new ATOM 0 HA LYS A 25 60.013 -7.796 -11.972 1.00 1.00 H new ATOM 0 HB2 LYS A 25 61.880 -6.856 -13.368 1.00 1.00 H new ATOM 0 HB3 LYS A 25 62.817 -6.648 -11.901 1.00 1.00 H new ATOM 0 HG2 LYS A 25 62.450 -9.116 -11.368 1.00 1.00 H new ATOM 0 HG3 LYS A 25 61.623 -9.295 -12.902 1.00 1.00 H new ATOM 0 HD2 LYS A 25 64.566 -8.565 -12.473 1.00 1.00 H new ATOM 0 HD3 LYS A 25 63.939 -10.026 -13.212 1.00 1.00 H new ATOM 0 HE2 LYS A 25 62.817 -8.378 -14.959 1.00 1.00 H new ATOM 0 HE3 LYS A 25 63.969 -7.204 -14.353 1.00 1.00 H new ATOM 0 HZ1 LYS A 25 64.878 -8.433 -16.234 1.00 1.00 H new ATOM 0 HZ2 LYS A 25 65.775 -8.769 -14.832 1.00 1.00 H new ATOM 0 HZ3 LYS A 25 64.659 -9.907 -15.419 1.00 1.00 H new ATOM 432 N ASN A 26 61.658 -6.523 -9.349 1.00 1.00 N ATOM 433 CA ASN A 26 61.954 -6.645 -7.913 1.00 1.00 C ATOM 434 C ASN A 26 60.706 -6.789 -7.044 1.00 1.00 C ATOM 435 O ASN A 26 60.764 -7.234 -5.897 1.00 1.00 O ATOM 436 CB ASN A 26 62.643 -5.347 -7.493 1.00 1.00 C ATOM 437 CG ASN A 26 63.953 -5.205 -8.257 1.00 1.00 C ATOM 438 OD1 ASN A 26 63.949 -4.759 -9.399 1.00 1.00 O ATOM 439 ND2 ASN A 26 65.075 -5.573 -7.696 1.00 1.00 N ATOM 0 H ASN A 26 62.090 -5.705 -9.780 1.00 1.00 H new ATOM 0 HA ASN A 26 62.560 -7.540 -7.772 1.00 1.00 H new ATOM 0 HB2 ASN A 26 61.995 -4.495 -7.697 1.00 1.00 H new ATOM 0 HB3 ASN A 26 62.833 -5.353 -6.420 1.00 1.00 H new ATOM 0 HD21 ASN A 26 65.953 -5.490 -8.209 1.00 1.00 H new ATOM 0 HD22 ASN A 26 65.073 -5.943 -6.746 1.00 1.00 H new ATOM 446 N LYS A 27 59.629 -6.245 -7.566 1.00 1.00 N ATOM 447 CA LYS A 27 58.392 -6.131 -6.803 1.00 1.00 C ATOM 448 C LYS A 27 57.939 -7.430 -6.120 1.00 1.00 C ATOM 449 O LYS A 27 57.709 -7.403 -4.912 1.00 1.00 O ATOM 450 CB LYS A 27 57.291 -5.635 -7.737 1.00 1.00 C ATOM 451 CG LYS A 27 55.997 -5.328 -6.948 1.00 1.00 C ATOM 452 CD LYS A 27 55.042 -4.552 -7.863 1.00 1.00 C ATOM 453 CE LYS A 27 53.761 -4.203 -7.101 1.00 1.00 C ATOM 454 NZ LYS A 27 54.111 -3.550 -5.807 1.00 1.00 N ATOM 0 H LYS A 27 59.578 -5.873 -8.514 1.00 1.00 H new ATOM 0 HA LYS A 27 58.589 -5.428 -5.993 1.00 1.00 H new ATOM 0 HB2 LYS A 27 57.626 -4.738 -8.257 1.00 1.00 H new ATOM 0 HB3 LYS A 27 57.088 -6.388 -8.499 1.00 1.00 H new ATOM 0 HG2 LYS A 27 55.530 -6.254 -6.611 1.00 1.00 H new ATOM 0 HG3 LYS A 27 56.226 -4.744 -6.057 1.00 1.00 H new ATOM 0 HD2 LYS A 27 55.524 -3.641 -8.218 1.00 1.00 H new ATOM 0 HD3 LYS A 27 54.801 -5.149 -8.743 1.00 1.00 H new ATOM 0 HE2 LYS A 27 53.140 -3.537 -7.700 1.00 1.00 H new ATOM 0 HE3 LYS A 27 53.177 -5.105 -6.918 1.00 1.00 H new ATOM 0 HZ1 LYS A 27 53.357 -2.886 -5.538 1.00 1.00 H new ATOM 0 HZ2 LYS A 27 54.214 -4.275 -5.069 1.00 1.00 H new ATOM 0 HZ3 LYS A 27 55.007 -3.032 -5.911 1.00 1.00 H new ATOM 468 N TYR A 28 57.766 -8.561 -6.828 1.00 1.00 N ATOM 469 CA TYR A 28 57.291 -9.809 -6.175 1.00 1.00 C ATOM 470 C TYR A 28 58.429 -10.802 -5.867 1.00 1.00 C ATOM 471 O TYR A 28 58.152 -11.938 -5.483 1.00 1.00 O ATOM 472 CB TYR A 28 56.272 -10.498 -7.116 1.00 1.00 C ATOM 473 CG TYR A 28 54.950 -9.755 -7.095 1.00 1.00 C ATOM 474 CD1 TYR A 28 54.034 -10.007 -6.067 1.00 1.00 C ATOM 475 CD2 TYR A 28 54.638 -8.824 -8.096 1.00 1.00 C ATOM 476 CE1 TYR A 28 52.810 -9.331 -6.037 1.00 1.00 C ATOM 477 CE2 TYR A 28 53.413 -8.149 -8.065 1.00 1.00 C ATOM 478 CZ TYR A 28 52.500 -8.402 -7.037 1.00 1.00 C ATOM 479 OH TYR A 28 51.294 -7.736 -7.008 1.00 1.00 O ATOM 0 H TYR A 28 57.941 -8.644 -7.829 1.00 1.00 H new ATOM 0 HA TYR A 28 56.841 -9.528 -5.223 1.00 1.00 H new ATOM 0 HB2 TYR A 28 56.666 -10.525 -8.132 1.00 1.00 H new ATOM 0 HB3 TYR A 28 56.121 -11.532 -6.805 1.00 1.00 H new ATOM 0 HD1 TYR A 28 54.273 -10.724 -5.296 1.00 1.00 H new ATOM 0 HD2 TYR A 28 55.343 -8.628 -8.890 1.00 1.00 H new ATOM 0 HE1 TYR A 28 52.105 -9.526 -5.243 1.00 1.00 H new ATOM 0 HE2 TYR A 28 53.172 -7.432 -8.836 1.00 1.00 H new ATOM 0 HH TYR A 28 51.238 -7.127 -7.774 1.00 1.00 H new ATOM 489 N GLU A 29 59.693 -10.408 -6.071 1.00 1.00 N ATOM 490 CA GLU A 29 60.839 -11.330 -5.846 1.00 1.00 C ATOM 491 C GLU A 29 61.834 -10.849 -4.790 1.00 1.00 C ATOM 492 O GLU A 29 62.830 -11.536 -4.555 1.00 1.00 O ATOM 493 CB GLU A 29 61.594 -11.538 -7.165 1.00 1.00 C ATOM 494 CG GLU A 29 62.215 -10.230 -7.652 1.00 1.00 C ATOM 495 CD GLU A 29 62.825 -10.441 -9.033 1.00 1.00 C ATOM 496 OE1 GLU A 29 62.124 -10.945 -9.894 1.00 1.00 O ATOM 497 OE2 GLU A 29 63.983 -10.101 -9.207 1.00 1.00 O ATOM 0 H GLU A 29 59.957 -9.474 -6.386 1.00 1.00 H new ATOM 0 HA GLU A 29 60.406 -12.258 -5.474 1.00 1.00 H new ATOM 0 HB2 GLU A 29 62.375 -12.286 -7.027 1.00 1.00 H new ATOM 0 HB3 GLU A 29 60.912 -11.925 -7.922 1.00 1.00 H new ATOM 0 HG2 GLU A 29 61.457 -9.448 -7.693 1.00 1.00 H new ATOM 0 HG3 GLU A 29 62.980 -9.895 -6.952 1.00 1.00 H new ATOM 504 N LEU A 30 61.594 -9.686 -4.142 1.00 1.00 N ATOM 505 CA LEU A 30 62.517 -9.156 -3.102 1.00 1.00 C ATOM 506 C LEU A 30 61.793 -9.233 -1.759 1.00 1.00 C ATOM 507 O LEU A 30 61.879 -10.255 -1.078 1.00 1.00 O ATOM 508 CB LEU A 30 62.947 -7.725 -3.510 1.00 1.00 C ATOM 509 CG LEU A 30 63.661 -6.961 -2.384 1.00 1.00 C ATOM 510 CD1 LEU A 30 64.931 -7.700 -1.970 1.00 1.00 C ATOM 511 CD2 LEU A 30 64.035 -5.567 -2.905 1.00 1.00 C ATOM 0 H LEU A 30 60.778 -9.099 -4.316 1.00 1.00 H new ATOM 0 HA LEU A 30 63.434 -9.737 -3.009 1.00 1.00 H new ATOM 0 HB2 LEU A 30 63.607 -7.784 -4.375 1.00 1.00 H new ATOM 0 HB3 LEU A 30 62.066 -7.163 -3.819 1.00 1.00 H new ATOM 0 HG LEU A 30 63.002 -6.882 -1.520 1.00 1.00 H new ATOM 0 HD11 LEU A 30 65.428 -7.149 -1.172 1.00 1.00 H new ATOM 0 HD12 LEU A 30 64.672 -8.698 -1.616 1.00 1.00 H new ATOM 0 HD13 LEU A 30 65.600 -7.781 -2.826 1.00 1.00 H new ATOM 0 HD21 LEU A 30 64.543 -5.009 -2.119 1.00 1.00 H new ATOM 0 HD22 LEU A 30 64.696 -5.666 -3.766 1.00 1.00 H new ATOM 0 HD23 LEU A 30 63.131 -5.035 -3.201 1.00 1.00 H new ATOM 523 N SER A 31 61.034 -8.215 -1.394 1.00 1.00 N ATOM 524 CA SER A 31 60.267 -8.269 -0.160 1.00 1.00 C ATOM 525 C SER A 31 59.649 -6.888 0.054 1.00 1.00 C ATOM 526 O SER A 31 60.197 -5.914 -0.436 1.00 1.00 O ATOM 527 CB SER A 31 61.188 -8.688 1.010 1.00 1.00 C ATOM 528 OG SER A 31 62.522 -8.363 0.670 1.00 1.00 O ATOM 0 H SER A 31 60.932 -7.351 -1.926 1.00 1.00 H new ATOM 0 HA SER A 31 59.471 -9.012 -0.213 1.00 1.00 H new ATOM 0 HB2 SER A 31 60.895 -8.174 1.926 1.00 1.00 H new ATOM 0 HB3 SER A 31 61.095 -9.757 1.201 1.00 1.00 H new ATOM 0 HG SER A 31 63.130 -9.026 1.059 1.00 1.00 H new ATOM 534 N ASP A 32 58.537 -6.779 0.748 1.00 1.00 N ATOM 535 CA ASP A 32 57.947 -5.448 0.899 1.00 1.00 C ATOM 536 C ASP A 32 58.800 -4.484 1.757 1.00 1.00 C ATOM 537 O ASP A 32 59.139 -3.404 1.292 1.00 1.00 O ATOM 538 CB ASP A 32 56.580 -5.613 1.565 1.00 1.00 C ATOM 539 CG ASP A 32 55.913 -4.253 1.766 1.00 1.00 C ATOM 540 OD1 ASP A 32 55.594 -3.617 0.774 1.00 1.00 O ATOM 541 OD2 ASP A 32 55.735 -3.865 2.909 1.00 1.00 O ATOM 0 H ASP A 32 58.037 -7.546 1.199 1.00 1.00 H new ATOM 0 HA ASP A 32 57.879 -5.006 -0.095 1.00 1.00 H new ATOM 0 HB2 ASP A 32 55.944 -6.249 0.949 1.00 1.00 H new ATOM 0 HB3 ASP A 32 56.696 -6.113 2.527 1.00 1.00 H new ATOM 546 N ASP A 33 59.024 -4.775 3.042 1.00 1.00 N ATOM 547 CA ASP A 33 59.691 -3.774 3.898 1.00 1.00 C ATOM 548 C ASP A 33 61.004 -3.321 3.249 1.00 1.00 C ATOM 549 O ASP A 33 61.523 -2.219 3.425 1.00 1.00 O ATOM 550 CB ASP A 33 59.981 -4.384 5.275 1.00 1.00 C ATOM 551 CG ASP A 33 60.306 -3.283 6.281 1.00 1.00 C ATOM 552 OD1 ASP A 33 59.382 -2.784 6.902 1.00 1.00 O ATOM 553 OD2 ASP A 33 61.474 -2.959 6.419 1.00 1.00 O ATOM 0 H ASP A 33 58.770 -5.650 3.501 1.00 1.00 H new ATOM 0 HA ASP A 33 59.035 -2.912 4.014 1.00 1.00 H new ATOM 0 HB2 ASP A 33 59.118 -4.956 5.617 1.00 1.00 H new ATOM 0 HB3 ASP A 33 60.817 -5.080 5.204 1.00 1.00 H new ATOM 558 N GLU A 34 61.475 -4.302 2.505 1.00 1.00 N ATOM 559 CA GLU A 34 62.726 -4.200 1.765 1.00 1.00 C ATOM 560 C GLU A 34 62.610 -3.086 0.726 1.00 1.00 C ATOM 561 O GLU A 34 63.528 -2.286 0.588 1.00 1.00 O ATOM 562 CB GLU A 34 63.161 -5.550 1.153 1.00 1.00 C ATOM 563 CG GLU A 34 63.709 -6.523 2.262 1.00 1.00 C ATOM 564 CD GLU A 34 64.778 -7.467 1.699 1.00 1.00 C ATOM 565 OE1 GLU A 34 65.717 -6.973 1.097 1.00 1.00 O ATOM 566 OE2 GLU A 34 64.644 -8.666 1.890 1.00 1.00 O ATOM 0 H GLU A 34 61.001 -5.198 2.393 1.00 1.00 H new ATOM 0 HA GLU A 34 63.524 -3.938 2.460 1.00 1.00 H new ATOM 0 HB2 GLU A 34 62.315 -6.012 0.645 1.00 1.00 H new ATOM 0 HB3 GLU A 34 63.931 -5.381 0.400 1.00 1.00 H new ATOM 0 HG2 GLU A 34 64.130 -5.942 3.082 1.00 1.00 H new ATOM 0 HG3 GLU A 34 62.886 -7.107 2.675 1.00 1.00 H new ATOM 573 N LEU A 35 61.527 -3.074 -0.054 1.00 1.00 N ATOM 574 CA LEU A 35 61.380 -2.084 -1.133 1.00 1.00 C ATOM 575 C LEU A 35 61.846 -0.677 -0.665 1.00 1.00 C ATOM 576 O LEU A 35 62.176 0.158 -1.508 1.00 1.00 O ATOM 577 CB LEU A 35 59.880 -2.024 -1.604 1.00 1.00 C ATOM 578 CG LEU A 35 59.604 -2.818 -2.904 1.00 1.00 C ATOM 579 CD1 LEU A 35 60.451 -2.310 -4.089 1.00 1.00 C ATOM 580 CD2 LEU A 35 59.828 -4.316 -2.689 1.00 1.00 C ATOM 0 H LEU A 35 60.748 -3.726 0.035 1.00 1.00 H new ATOM 0 HA LEU A 35 62.009 -2.392 -1.968 1.00 1.00 H new ATOM 0 HB2 LEU A 35 59.243 -2.412 -0.809 1.00 1.00 H new ATOM 0 HB3 LEU A 35 59.598 -0.982 -1.758 1.00 1.00 H new ATOM 0 HG LEU A 35 58.557 -2.654 -3.158 1.00 1.00 H new ATOM 0 HD11 LEU A 35 60.222 -2.898 -4.978 1.00 1.00 H new ATOM 0 HD12 LEU A 35 60.220 -1.262 -4.278 1.00 1.00 H new ATOM 0 HD13 LEU A 35 61.510 -2.411 -3.849 1.00 1.00 H new ATOM 0 HD21 LEU A 35 59.627 -4.851 -3.617 1.00 1.00 H new ATOM 0 HD22 LEU A 35 60.861 -4.490 -2.386 1.00 1.00 H new ATOM 0 HD23 LEU A 35 59.156 -4.676 -1.910 1.00 1.00 H new ATOM 592 N GLU A 36 61.882 -0.396 0.648 1.00 1.00 N ATOM 593 CA GLU A 36 62.326 0.939 1.075 1.00 1.00 C ATOM 594 C GLU A 36 63.760 1.142 0.559 1.00 1.00 C ATOM 595 O GLU A 36 64.178 2.218 0.165 1.00 1.00 O ATOM 596 CB GLU A 36 62.272 1.070 2.602 1.00 1.00 C ATOM 597 CG GLU A 36 60.814 1.015 3.076 1.00 1.00 C ATOM 598 CD GLU A 36 60.742 1.303 4.571 1.00 1.00 C ATOM 599 OE1 GLU A 36 61.643 1.953 5.074 1.00 1.00 O ATOM 600 OE2 GLU A 36 59.785 0.869 5.192 1.00 1.00 O ATOM 0 H GLU A 36 61.624 -1.038 1.397 1.00 1.00 H new ATOM 0 HA GLU A 36 61.666 1.704 0.665 1.00 1.00 H new ATOM 0 HB2 GLU A 36 62.845 0.267 3.066 1.00 1.00 H new ATOM 0 HB3 GLU A 36 62.730 2.009 2.912 1.00 1.00 H new ATOM 0 HG2 GLU A 36 60.217 1.743 2.528 1.00 1.00 H new ATOM 0 HG3 GLU A 36 60.391 0.033 2.865 1.00 1.00 H new ATOM 607 N LEU A 37 64.472 0.023 0.590 1.00 1.00 N ATOM 608 CA LEU A 37 65.869 -0.019 0.129 1.00 1.00 C ATOM 609 C LEU A 37 65.884 0.492 -1.312 1.00 1.00 C ATOM 610 O LEU A 37 66.614 1.413 -1.655 1.00 1.00 O ATOM 611 CB LEU A 37 66.406 -1.474 0.124 1.00 1.00 C ATOM 612 CG LEU A 37 66.636 -1.994 1.574 1.00 1.00 C ATOM 613 CD1 LEU A 37 66.577 -3.529 1.593 1.00 1.00 C ATOM 614 CD2 LEU A 37 68.019 -1.558 2.096 1.00 1.00 C ATOM 0 H LEU A 37 64.113 -0.870 0.927 1.00 1.00 H new ATOM 0 HA LEU A 37 66.490 0.584 0.791 1.00 1.00 H new ATOM 0 HB2 LEU A 37 65.698 -2.124 -0.390 1.00 1.00 H new ATOM 0 HB3 LEU A 37 67.342 -1.517 -0.433 1.00 1.00 H new ATOM 0 HG LEU A 37 65.856 -1.575 2.210 1.00 1.00 H new ATOM 0 HD11 LEU A 37 66.739 -3.887 2.610 1.00 1.00 H new ATOM 0 HD12 LEU A 37 65.599 -3.860 1.243 1.00 1.00 H new ATOM 0 HD13 LEU A 37 67.351 -3.931 0.940 1.00 1.00 H new ATOM 0 HD21 LEU A 37 68.159 -1.932 3.110 1.00 1.00 H new ATOM 0 HD22 LEU A 37 68.797 -1.964 1.449 1.00 1.00 H new ATOM 0 HD23 LEU A 37 68.080 -0.470 2.098 1.00 1.00 H new ATOM 626 N PHE A 38 65.083 -0.152 -2.135 1.00 1.00 N ATOM 627 CA PHE A 38 64.970 0.147 -3.562 1.00 1.00 C ATOM 628 C PHE A 38 64.488 1.591 -3.830 1.00 1.00 C ATOM 629 O PHE A 38 64.946 2.251 -4.755 1.00 1.00 O ATOM 630 CB PHE A 38 63.965 -0.906 -4.170 1.00 1.00 C ATOM 631 CG PHE A 38 64.542 -1.612 -5.379 1.00 1.00 C ATOM 632 CD1 PHE A 38 65.427 -2.673 -5.201 1.00 1.00 C ATOM 633 CD2 PHE A 38 64.190 -1.201 -6.656 1.00 1.00 C ATOM 634 CE1 PHE A 38 65.967 -3.328 -6.306 1.00 1.00 C ATOM 635 CE2 PHE A 38 64.718 -1.850 -7.771 1.00 1.00 C ATOM 636 CZ PHE A 38 65.612 -2.918 -7.600 1.00 1.00 C ATOM 0 H PHE A 38 64.477 -0.915 -1.832 1.00 1.00 H new ATOM 0 HA PHE A 38 65.951 0.077 -4.031 1.00 1.00 H new ATOM 0 HB2 PHE A 38 63.708 -1.643 -3.409 1.00 1.00 H new ATOM 0 HB3 PHE A 38 63.040 -0.403 -4.452 1.00 1.00 H new ATOM 0 HD1 PHE A 38 65.695 -2.989 -4.204 1.00 1.00 H new ATOM 0 HD2 PHE A 38 63.505 -0.376 -6.787 1.00 1.00 H new ATOM 0 HE1 PHE A 38 66.656 -4.148 -6.167 1.00 1.00 H new ATOM 0 HE2 PHE A 38 64.440 -1.531 -8.765 1.00 1.00 H new ATOM 0 HZ PHE A 38 66.025 -3.422 -8.461 1.00 1.00 H new ATOM 646 N TYR A 39 63.601 2.064 -2.968 1.00 1.00 N ATOM 647 CA TYR A 39 63.098 3.453 -3.074 1.00 1.00 C ATOM 648 C TYR A 39 64.103 4.432 -2.469 1.00 1.00 C ATOM 649 O TYR A 39 64.566 5.355 -3.141 1.00 1.00 O ATOM 650 CB TYR A 39 61.691 3.588 -2.480 1.00 1.00 C ATOM 651 CG TYR A 39 60.685 3.057 -3.487 1.00 1.00 C ATOM 652 CD1 TYR A 39 60.429 3.794 -4.650 1.00 1.00 C ATOM 653 CD2 TYR A 39 60.040 1.829 -3.277 1.00 1.00 C ATOM 654 CE1 TYR A 39 59.521 3.305 -5.601 1.00 1.00 C ATOM 655 CE2 TYR A 39 59.137 1.340 -4.228 1.00 1.00 C ATOM 656 CZ TYR A 39 58.877 2.079 -5.390 1.00 1.00 C ATOM 657 OH TYR A 39 57.986 1.598 -6.329 1.00 1.00 O ATOM 0 H TYR A 39 63.211 1.527 -2.193 1.00 1.00 H new ATOM 0 HA TYR A 39 63.000 3.711 -4.128 1.00 1.00 H new ATOM 0 HB2 TYR A 39 61.620 3.031 -1.546 1.00 1.00 H new ATOM 0 HB3 TYR A 39 61.478 4.631 -2.247 1.00 1.00 H new ATOM 0 HD1 TYR A 39 60.930 4.737 -4.814 1.00 1.00 H new ATOM 0 HD2 TYR A 39 60.240 1.261 -2.381 1.00 1.00 H new ATOM 0 HE1 TYR A 39 59.318 3.874 -6.496 1.00 1.00 H new ATOM 0 HE2 TYR A 39 58.641 0.394 -4.067 1.00 1.00 H new ATOM 0 HH TYR A 39 57.629 0.736 -6.030 1.00 1.00 H new ATOM 667 N SER A 40 64.436 4.234 -1.225 1.00 1.00 N ATOM 668 CA SER A 40 65.385 5.101 -0.549 1.00 1.00 C ATOM 669 C SER A 40 66.732 5.141 -1.286 1.00 1.00 C ATOM 670 O SER A 40 67.417 6.164 -1.298 1.00 1.00 O ATOM 671 CB SER A 40 65.596 4.577 0.869 1.00 1.00 C ATOM 672 OG SER A 40 66.264 5.564 1.643 1.00 1.00 O ATOM 0 H SER A 40 64.067 3.478 -0.648 1.00 1.00 H new ATOM 0 HA SER A 40 64.984 6.114 -0.531 1.00 1.00 H new ATOM 0 HB2 SER A 40 64.637 4.330 1.324 1.00 1.00 H new ATOM 0 HB3 SER A 40 66.183 3.659 0.846 1.00 1.00 H new ATOM 0 HG SER A 40 66.399 5.229 2.554 1.00 1.00 H new ATOM 678 N ALA A 41 67.109 3.999 -1.876 1.00 1.00 N ATOM 679 CA ALA A 41 68.409 3.915 -2.590 1.00 1.00 C ATOM 680 C ALA A 41 68.330 4.555 -3.980 1.00 1.00 C ATOM 681 O ALA A 41 69.125 5.430 -4.321 1.00 1.00 O ATOM 682 CB ALA A 41 68.870 2.465 -2.728 1.00 1.00 C ATOM 0 H ALA A 41 66.559 3.140 -1.880 1.00 1.00 H new ATOM 0 HA ALA A 41 69.134 4.466 -1.991 1.00 1.00 H new ATOM 0 HB1 ALA A 41 69.824 2.435 -3.255 1.00 1.00 H new ATOM 0 HB2 ALA A 41 68.988 2.025 -1.738 1.00 1.00 H new ATOM 0 HB3 ALA A 41 68.127 1.899 -3.290 1.00 1.00 H new ATOM 688 N ALA A 42 67.433 4.027 -4.803 1.00 1.00 N ATOM 689 CA ALA A 42 67.310 4.444 -6.204 1.00 1.00 C ATOM 690 C ALA A 42 67.216 5.961 -6.425 1.00 1.00 C ATOM 691 O ALA A 42 67.716 6.469 -7.424 1.00 1.00 O ATOM 692 CB ALA A 42 66.034 3.823 -6.776 1.00 1.00 C ATOM 0 H ALA A 42 66.772 3.302 -4.526 1.00 1.00 H new ATOM 0 HA ALA A 42 68.223 4.109 -6.696 1.00 1.00 H new ATOM 0 HB1 ALA A 42 65.921 4.119 -7.819 1.00 1.00 H new ATOM 0 HB2 ALA A 42 66.098 2.737 -6.712 1.00 1.00 H new ATOM 0 HB3 ALA A 42 65.173 4.170 -6.205 1.00 1.00 H new ATOM 698 N ASP A 43 66.552 6.684 -5.530 1.00 1.00 N ATOM 699 CA ASP A 43 66.398 8.131 -5.714 1.00 1.00 C ATOM 700 C ASP A 43 67.766 8.777 -5.942 1.00 1.00 C ATOM 701 O ASP A 43 67.933 9.621 -6.813 1.00 1.00 O ATOM 702 CB ASP A 43 65.704 8.737 -4.486 1.00 1.00 C ATOM 703 CG ASP A 43 65.122 10.107 -4.812 1.00 1.00 C ATOM 704 OD1 ASP A 43 65.284 10.547 -5.938 1.00 1.00 O ATOM 705 OD2 ASP A 43 64.515 10.689 -3.930 1.00 1.00 O ATOM 0 H ASP A 43 66.119 6.307 -4.687 1.00 1.00 H new ATOM 0 HA ASP A 43 65.780 8.323 -6.591 1.00 1.00 H new ATOM 0 HB2 ASP A 43 64.910 8.072 -4.146 1.00 1.00 H new ATOM 0 HB3 ASP A 43 66.418 8.826 -3.667 1.00 1.00 H new ATOM 710 N HIS A 44 68.710 8.392 -5.097 1.00 1.00 N ATOM 711 CA HIS A 44 70.069 8.943 -5.138 1.00 1.00 C ATOM 712 C HIS A 44 70.567 9.033 -6.594 1.00 1.00 C ATOM 713 O HIS A 44 71.172 10.025 -7.005 1.00 1.00 O ATOM 714 CB HIS A 44 70.992 8.006 -4.365 1.00 1.00 C ATOM 715 CG HIS A 44 70.625 8.008 -2.906 1.00 1.00 C ATOM 716 ND1 HIS A 44 70.154 6.874 -2.262 1.00 1.00 N ATOM 717 CD2 HIS A 44 70.659 8.993 -1.953 1.00 1.00 C ATOM 718 CE1 HIS A 44 69.927 7.203 -0.976 1.00 1.00 C ATOM 719 NE2 HIS A 44 70.218 8.484 -0.734 1.00 1.00 N ATOM 0 H HIS A 44 68.565 7.695 -4.367 1.00 1.00 H new ATOM 0 HA HIS A 44 70.067 9.941 -4.699 1.00 1.00 H new ATOM 0 HB2 HIS A 44 70.916 6.995 -4.766 1.00 1.00 H new ATOM 0 HB3 HIS A 44 72.028 8.320 -4.488 1.00 1.00 H new ATOM 0 HD1 HIS A 44 70.006 5.958 -2.685 1.00 1.00 H new ATOM 0 HD2 HIS A 44 70.979 10.010 -2.122 1.00 1.00 H new ATOM 0 HE1 HIS A 44 69.555 6.515 -0.231 1.00 1.00 H new ATOM 728 N ARG A 45 70.298 7.976 -7.342 1.00 1.00 N ATOM 729 CA ARG A 45 70.681 7.838 -8.754 1.00 1.00 C ATOM 730 C ARG A 45 69.863 8.760 -9.698 1.00 1.00 C ATOM 731 O ARG A 45 70.204 8.932 -10.859 1.00 1.00 O ATOM 732 CB ARG A 45 70.511 6.349 -9.152 1.00 1.00 C ATOM 733 CG ARG A 45 70.748 6.109 -10.668 1.00 1.00 C ATOM 734 CD ARG A 45 72.134 6.622 -11.163 1.00 1.00 C ATOM 735 NE ARG A 45 72.429 6.066 -12.478 1.00 1.00 N ATOM 736 CZ ARG A 45 73.601 6.292 -13.066 1.00 1.00 C ATOM 737 NH1 ARG A 45 74.520 6.974 -12.439 1.00 1.00 N ATOM 738 NH2 ARG A 45 73.842 5.811 -14.257 1.00 1.00 N ATOM 0 H ARG A 45 69.795 7.165 -6.983 1.00 1.00 H new ATOM 0 HA ARG A 45 71.719 8.153 -8.865 1.00 1.00 H new ATOM 0 HB2 ARG A 45 71.209 5.740 -8.577 1.00 1.00 H new ATOM 0 HB3 ARG A 45 69.507 6.018 -8.887 1.00 1.00 H new ATOM 0 HG2 ARG A 45 70.667 5.042 -10.877 1.00 1.00 H new ATOM 0 HG3 ARG A 45 69.961 6.606 -11.235 1.00 1.00 H new ATOM 0 HD2 ARG A 45 72.132 7.711 -11.211 1.00 1.00 H new ATOM 0 HD3 ARG A 45 72.912 6.336 -10.455 1.00 1.00 H new ATOM 0 HE ARG A 45 71.728 5.497 -12.953 1.00 1.00 H new ATOM 0 HH11 ARG A 45 74.339 7.332 -11.501 1.00 1.00 H new ATOM 0 HH12 ARG A 45 75.420 7.149 -12.887 1.00 1.00 H new ATOM 0 HH21 ARG A 45 73.131 5.261 -14.738 1.00 1.00 H new ATOM 0 HH22 ARG A 45 74.741 5.986 -14.705 1.00 1.00 H new ATOM 752 N LEU A 46 68.777 9.348 -9.217 1.00 1.00 N ATOM 753 CA LEU A 46 67.960 10.229 -10.081 1.00 1.00 C ATOM 754 C LEU A 46 68.586 11.635 -10.313 1.00 1.00 C ATOM 755 O LEU A 46 68.648 12.099 -11.451 1.00 1.00 O ATOM 756 CB LEU A 46 66.545 10.337 -9.482 1.00 1.00 C ATOM 757 CG LEU A 46 65.584 11.170 -10.417 1.00 1.00 C ATOM 758 CD1 LEU A 46 64.161 10.579 -10.401 1.00 1.00 C ATOM 759 CD2 LEU A 46 65.494 12.640 -9.952 1.00 1.00 C ATOM 0 H LEU A 46 68.437 9.244 -8.261 1.00 1.00 H new ATOM 0 HA LEU A 46 67.917 9.775 -11.071 1.00 1.00 H new ATOM 0 HB2 LEU A 46 66.134 9.338 -9.333 1.00 1.00 H new ATOM 0 HB3 LEU A 46 66.599 10.809 -8.501 1.00 1.00 H new ATOM 0 HG LEU A 46 65.999 11.125 -11.424 1.00 1.00 H new ATOM 0 HD11 LEU A 46 63.515 11.168 -11.052 1.00 1.00 H new ATOM 0 HD12 LEU A 46 64.191 9.549 -10.756 1.00 1.00 H new ATOM 0 HD13 LEU A 46 63.769 10.602 -9.384 1.00 1.00 H new ATOM 0 HD21 LEU A 46 64.826 13.191 -10.614 1.00 1.00 H new ATOM 0 HD22 LEU A 46 65.107 12.676 -8.934 1.00 1.00 H new ATOM 0 HD23 LEU A 46 66.486 13.092 -9.980 1.00 1.00 H new ATOM 771 N ALA A 47 69.002 12.326 -9.243 1.00 1.00 N ATOM 772 CA ALA A 47 69.568 13.700 -9.371 1.00 1.00 C ATOM 773 C ALA A 47 70.808 13.746 -10.282 1.00 1.00 C ATOM 774 O ALA A 47 70.990 14.664 -11.075 1.00 1.00 O ATOM 775 CB ALA A 47 69.946 14.245 -7.994 1.00 1.00 C ATOM 0 H ALA A 47 68.964 11.973 -8.287 1.00 1.00 H new ATOM 0 HA ALA A 47 68.792 14.316 -9.826 1.00 1.00 H new ATOM 0 HB1 ALA A 47 70.358 15.249 -8.100 1.00 1.00 H new ATOM 0 HB2 ALA A 47 69.059 14.282 -7.361 1.00 1.00 H new ATOM 0 HB3 ALA A 47 70.691 13.594 -7.537 1.00 1.00 H new ATOM 781 N GLU A 48 71.607 12.710 -10.173 1.00 1.00 N ATOM 782 CA GLU A 48 72.793 12.612 -11.036 1.00 1.00 C ATOM 783 C GLU A 48 72.277 12.564 -12.486 1.00 1.00 C ATOM 784 O GLU A 48 72.697 13.355 -13.330 1.00 1.00 O ATOM 785 CB GLU A 48 73.744 11.443 -10.651 1.00 1.00 C ATOM 786 CG GLU A 48 73.311 10.117 -11.258 1.00 1.00 C ATOM 787 CD GLU A 48 73.706 10.032 -12.735 1.00 1.00 C ATOM 788 OE1 GLU A 48 74.251 10.997 -13.243 1.00 1.00 O ATOM 789 OE2 GLU A 48 73.479 8.994 -13.329 1.00 1.00 O ATOM 0 H GLU A 48 71.477 11.937 -9.520 1.00 1.00 H new ATOM 0 HA GLU A 48 73.437 13.482 -10.906 1.00 1.00 H new ATOM 0 HB2 GLU A 48 74.756 11.678 -10.982 1.00 1.00 H new ATOM 0 HB3 GLU A 48 73.778 11.349 -9.566 1.00 1.00 H new ATOM 0 HG2 GLU A 48 73.769 9.295 -10.708 1.00 1.00 H new ATOM 0 HG3 GLU A 48 72.231 10.004 -11.160 1.00 1.00 H new ATOM 796 N LEU A 49 71.367 11.634 -12.754 1.00 1.00 N ATOM 797 CA LEU A 49 70.780 11.467 -14.081 1.00 1.00 C ATOM 798 C LEU A 49 70.136 12.769 -14.567 1.00 1.00 C ATOM 799 O LEU A 49 70.200 13.087 -15.755 1.00 1.00 O ATOM 800 CB LEU A 49 69.710 10.349 -14.021 1.00 1.00 C ATOM 801 CG LEU A 49 70.385 8.952 -13.935 1.00 1.00 C ATOM 802 CD1 LEU A 49 69.328 7.893 -13.590 1.00 1.00 C ATOM 803 CD2 LEU A 49 71.094 8.580 -15.281 1.00 1.00 C ATOM 0 H LEU A 49 71.015 10.975 -12.060 1.00 1.00 H new ATOM 0 HA LEU A 49 71.570 11.197 -14.782 1.00 1.00 H new ATOM 0 HB2 LEU A 49 69.065 10.501 -13.156 1.00 1.00 H new ATOM 0 HB3 LEU A 49 69.074 10.398 -14.905 1.00 1.00 H new ATOM 0 HG LEU A 49 71.144 8.984 -13.153 1.00 1.00 H new ATOM 0 HD11 LEU A 49 69.801 6.913 -13.530 1.00 1.00 H new ATOM 0 HD12 LEU A 49 68.870 8.135 -12.631 1.00 1.00 H new ATOM 0 HD13 LEU A 49 68.561 7.879 -14.364 1.00 1.00 H new ATOM 0 HD21 LEU A 49 71.557 7.597 -15.189 1.00 1.00 H new ATOM 0 HD22 LEU A 49 70.359 8.561 -16.086 1.00 1.00 H new ATOM 0 HD23 LEU A 49 71.860 9.322 -15.506 1.00 1.00 H new ATOM 815 N THR A 50 69.508 13.515 -13.655 1.00 1.00 N ATOM 816 CA THR A 50 68.854 14.770 -14.039 1.00 1.00 C ATOM 817 C THR A 50 69.869 15.659 -14.752 1.00 1.00 C ATOM 818 O THR A 50 69.538 16.329 -15.732 1.00 1.00 O ATOM 819 CB THR A 50 68.249 15.454 -12.788 1.00 1.00 C ATOM 820 OG1 THR A 50 67.280 14.580 -12.228 1.00 1.00 O ATOM 821 CG2 THR A 50 67.558 16.820 -13.107 1.00 1.00 C ATOM 0 H THR A 50 69.438 13.280 -12.665 1.00 1.00 H new ATOM 0 HA THR A 50 68.031 14.578 -14.727 1.00 1.00 H new ATOM 0 HB THR A 50 69.068 15.659 -12.099 1.00 1.00 H new ATOM 0 HG1 THR A 50 67.725 13.782 -11.874 1.00 1.00 H new ATOM 0 HG21 THR A 50 67.155 17.247 -12.189 1.00 1.00 H new ATOM 0 HG22 THR A 50 68.288 17.506 -13.536 1.00 1.00 H new ATOM 0 HG23 THR A 50 66.748 16.661 -13.819 1.00 1.00 H new ATOM 829 N MET A 51 71.127 15.602 -14.308 1.00 1.00 N ATOM 830 CA MET A 51 72.222 16.341 -14.961 1.00 1.00 C ATOM 831 C MET A 51 72.971 15.295 -15.798 1.00 1.00 C ATOM 832 O MET A 51 72.460 14.892 -16.839 1.00 1.00 O ATOM 833 CB MET A 51 73.147 17.069 -13.921 1.00 1.00 C ATOM 834 CG MET A 51 72.940 16.523 -12.494 1.00 1.00 C ATOM 835 SD MET A 51 73.796 17.589 -11.298 1.00 1.00 S ATOM 836 CE MET A 51 75.470 17.475 -11.977 1.00 1.00 C ATOM 0 H MET A 51 71.417 15.053 -13.499 1.00 1.00 H new ATOM 0 HA MET A 51 71.847 17.149 -15.590 1.00 1.00 H new ATOM 0 HB2 MET A 51 74.190 16.943 -14.211 1.00 1.00 H new ATOM 0 HB3 MET A 51 72.939 18.139 -13.935 1.00 1.00 H new ATOM 0 HG2 MET A 51 71.876 16.481 -12.261 1.00 1.00 H new ATOM 0 HG3 MET A 51 73.322 15.504 -12.425 1.00 1.00 H new ATOM 0 HE1 MET A 51 76.197 17.545 -11.167 1.00 1.00 H new ATOM 0 HE2 MET A 51 75.590 16.521 -12.491 1.00 1.00 H new ATOM 0 HE3 MET A 51 75.633 18.290 -12.682 1.00 1.00 H new ATOM 846 N ASN A 52 74.118 14.799 -15.318 1.00 1.00 N ATOM 847 CA ASN A 52 74.829 13.736 -16.040 1.00 1.00 C ATOM 848 C ASN A 52 76.134 13.341 -15.333 1.00 1.00 C ATOM 849 O ASN A 52 77.019 12.759 -15.961 1.00 1.00 O ATOM 850 CB ASN A 52 75.132 14.148 -17.503 1.00 1.00 C ATOM 851 CG ASN A 52 75.638 15.586 -17.544 1.00 1.00 C ATOM 852 OD1 ASN A 52 75.127 16.448 -16.830 1.00 1.00 O ATOM 853 ND2 ASN A 52 76.623 15.898 -18.340 1.00 1.00 N ATOM 0 H ASN A 52 74.565 15.107 -14.454 1.00 1.00 H new ATOM 0 HA ASN A 52 74.166 12.871 -16.049 1.00 1.00 H new ATOM 0 HB2 ASN A 52 75.878 13.479 -17.931 1.00 1.00 H new ATOM 0 HB3 ASN A 52 74.232 14.053 -18.111 1.00 1.00 H new ATOM 0 HD21 ASN A 52 76.970 16.857 -18.371 1.00 1.00 H new ATOM 0 HD22 ASN A 52 77.046 15.183 -18.932 1.00 1.00 H new ATOM 860 N LYS A 53 76.266 13.653 -14.030 1.00 1.00 N ATOM 861 CA LYS A 53 77.490 13.315 -13.267 1.00 1.00 C ATOM 862 C LYS A 53 77.205 12.195 -12.268 1.00 1.00 C ATOM 863 O LYS A 53 76.541 11.217 -12.602 1.00 1.00 O ATOM 864 CB LYS A 53 78.031 14.556 -12.544 1.00 1.00 C ATOM 865 CG LYS A 53 78.310 15.671 -13.568 1.00 1.00 C ATOM 866 CD LYS A 53 79.111 16.815 -12.912 1.00 1.00 C ATOM 867 CE LYS A 53 79.400 17.897 -13.956 1.00 1.00 C ATOM 868 NZ LYS A 53 79.993 19.087 -13.284 1.00 1.00 N ATOM 0 H LYS A 53 75.550 14.134 -13.485 1.00 1.00 H new ATOM 0 HA LYS A 53 78.249 12.966 -13.968 1.00 1.00 H new ATOM 0 HB2 LYS A 53 77.309 14.901 -11.803 1.00 1.00 H new ATOM 0 HB3 LYS A 53 78.945 14.306 -12.006 1.00 1.00 H new ATOM 0 HG2 LYS A 53 78.867 15.266 -14.413 1.00 1.00 H new ATOM 0 HG3 LYS A 53 77.369 16.056 -13.961 1.00 1.00 H new ATOM 0 HD2 LYS A 53 78.548 17.238 -12.080 1.00 1.00 H new ATOM 0 HD3 LYS A 53 80.045 16.431 -12.502 1.00 1.00 H new ATOM 0 HE2 LYS A 53 80.085 17.514 -14.713 1.00 1.00 H new ATOM 0 HE3 LYS A 53 78.481 18.177 -14.470 1.00 1.00 H new ATOM 0 HZ1 LYS A 53 80.190 19.823 -13.992 1.00 1.00 H new ATOM 0 HZ2 LYS A 53 79.325 19.456 -12.578 1.00 1.00 H new ATOM 0 HZ3 LYS A 53 80.879 18.814 -12.813 1.00 1.00 H new ATOM 882 N LEU A 54 77.770 12.300 -11.061 1.00 1.00 N ATOM 883 CA LEU A 54 77.632 11.248 -10.037 1.00 1.00 C ATOM 884 C LEU A 54 77.305 11.831 -8.665 1.00 1.00 C ATOM 885 O LEU A 54 78.182 12.425 -8.037 1.00 1.00 O ATOM 886 CB LEU A 54 78.998 10.544 -9.955 1.00 1.00 C ATOM 887 CG LEU A 54 79.079 9.564 -8.760 1.00 1.00 C ATOM 888 CD1 LEU A 54 77.845 8.647 -8.727 1.00 1.00 C ATOM 889 CD2 LEU A 54 80.348 8.714 -8.899 1.00 1.00 C ATOM 0 H LEU A 54 78.328 13.101 -10.765 1.00 1.00 H new ATOM 0 HA LEU A 54 76.821 10.573 -10.310 1.00 1.00 H new ATOM 0 HB2 LEU A 54 79.181 10.000 -10.882 1.00 1.00 H new ATOM 0 HB3 LEU A 54 79.786 11.292 -9.863 1.00 1.00 H new ATOM 0 HG LEU A 54 79.109 10.135 -7.832 1.00 1.00 H new ATOM 0 HD11 LEU A 54 77.921 7.965 -7.880 1.00 1.00 H new ATOM 0 HD12 LEU A 54 76.944 9.253 -8.626 1.00 1.00 H new ATOM 0 HD13 LEU A 54 77.794 8.072 -9.652 1.00 1.00 H new ATOM 0 HD21 LEU A 54 80.414 8.020 -8.061 1.00 1.00 H new ATOM 0 HD22 LEU A 54 80.310 8.153 -9.833 1.00 1.00 H new ATOM 0 HD23 LEU A 54 81.223 9.364 -8.902 1.00 1.00 H new ATOM 901 N TYR A 55 76.076 11.645 -8.157 1.00 1.00 N ATOM 902 CA TYR A 55 75.737 12.159 -6.805 1.00 1.00 C ATOM 903 C TYR A 55 76.166 11.074 -5.805 1.00 1.00 C ATOM 904 O TYR A 55 77.157 10.424 -6.104 1.00 1.00 O ATOM 905 CB TYR A 55 74.235 12.515 -6.735 1.00 1.00 C ATOM 906 CG TYR A 55 73.985 13.936 -7.250 1.00 1.00 C ATOM 907 CD1 TYR A 55 74.818 14.521 -8.229 1.00 1.00 C ATOM 908 CD2 TYR A 55 72.933 14.687 -6.708 1.00 1.00 C ATOM 909 CE1 TYR A 55 74.588 15.832 -8.652 1.00 1.00 C ATOM 910 CE2 TYR A 55 72.714 16.007 -7.128 1.00 1.00 C ATOM 911 CZ TYR A 55 73.543 16.578 -8.100 1.00 1.00 C ATOM 912 OH TYR A 55 73.332 17.877 -8.518 1.00 1.00 O ATOM 0 H TYR A 55 75.318 11.160 -8.637 1.00 1.00 H new ATOM 0 HA TYR A 55 76.260 13.084 -6.564 1.00 1.00 H new ATOM 0 HB2 TYR A 55 73.660 11.803 -7.327 1.00 1.00 H new ATOM 0 HB3 TYR A 55 73.885 12.430 -5.706 1.00 1.00 H new ATOM 0 HD1 TYR A 55 75.634 13.954 -8.651 1.00 1.00 H new ATOM 0 HD2 TYR A 55 72.287 14.247 -5.963 1.00 1.00 H new ATOM 0 HE1 TYR A 55 75.221 16.271 -9.409 1.00 1.00 H new ATOM 0 HE2 TYR A 55 71.906 16.583 -6.701 1.00 1.00 H new ATOM 0 HH TYR A 55 73.788 18.024 -9.373 1.00 1.00 H new ATOM 922 N ASP A 56 75.432 10.852 -4.676 1.00 1.00 N ATOM 923 CA ASP A 56 75.764 9.785 -3.685 1.00 1.00 C ATOM 924 C ASP A 56 75.402 10.179 -2.234 1.00 1.00 C ATOM 925 O ASP A 56 76.294 10.336 -1.402 1.00 1.00 O ATOM 926 CB ASP A 56 77.261 9.316 -3.737 1.00 1.00 C ATOM 927 CG ASP A 56 77.635 8.415 -2.549 1.00 1.00 C ATOM 928 OD1 ASP A 56 76.861 7.522 -2.243 1.00 1.00 O ATOM 929 OD2 ASP A 56 78.685 8.635 -1.968 1.00 1.00 O ATOM 0 H ASP A 56 74.606 11.398 -4.430 1.00 1.00 H new ATOM 0 HA ASP A 56 75.140 8.944 -3.988 1.00 1.00 H new ATOM 0 HB2 ASP A 56 77.438 8.777 -4.668 1.00 1.00 H new ATOM 0 HB3 ASP A 56 77.912 10.190 -3.746 1.00 1.00 H new ATOM 934 N LYS A 57 74.097 10.263 -1.936 1.00 1.00 N ATOM 935 CA LYS A 57 73.513 10.518 -0.604 1.00 1.00 C ATOM 936 C LYS A 57 72.864 11.904 -0.671 1.00 1.00 C ATOM 937 O LYS A 57 73.650 12.849 -0.567 1.00 1.00 O ATOM 938 CB LYS A 57 74.539 10.488 0.535 1.00 1.00 C ATOM 939 CG LYS A 57 73.791 10.558 1.860 1.00 1.00 C ATOM 940 CD LYS A 57 74.783 10.482 3.018 1.00 1.00 C ATOM 941 CE LYS A 57 74.009 10.362 4.327 1.00 1.00 C ATOM 942 NZ LYS A 57 74.965 10.271 5.465 1.00 1.00 N ATOM 0 H LYS A 57 73.380 10.149 -2.653 1.00 1.00 H new ATOM 0 HA LYS A 57 72.800 9.725 -0.378 1.00 1.00 H new ATOM 0 HB2 LYS A 57 75.135 9.577 0.484 1.00 1.00 H new ATOM 0 HB3 LYS A 57 75.230 11.326 0.445 1.00 1.00 H new ATOM 0 HG2 LYS A 57 73.221 11.485 1.918 1.00 1.00 H new ATOM 0 HG3 LYS A 57 73.075 9.739 1.928 1.00 1.00 H new ATOM 0 HD2 LYS A 57 75.444 9.625 2.892 1.00 1.00 H new ATOM 0 HD3 LYS A 57 75.413 11.371 3.033 1.00 1.00 H new ATOM 0 HE2 LYS A 57 73.356 11.225 4.456 1.00 1.00 H new ATOM 0 HE3 LYS A 57 73.370 9.479 4.304 1.00 1.00 H new ATOM 0 HZ1 LYS A 57 74.436 10.189 6.357 1.00 1.00 H new ATOM 0 HZ2 LYS A 57 75.571 9.434 5.344 1.00 1.00 H new ATOM 0 HZ3 LYS A 57 75.557 11.126 5.491 1.00 1.00 H new ATOM 956 N ILE A 58 71.543 12.137 -0.894 1.00 1.00 N ATOM 957 CA ILE A 58 71.023 13.549 -1.018 1.00 1.00 C ATOM 958 C ILE A 58 69.896 13.961 -0.001 1.00 1.00 C ATOM 959 O ILE A 58 68.946 13.202 0.186 1.00 1.00 O ATOM 960 CB ILE A 58 70.589 13.759 -2.531 1.00 1.00 C ATOM 961 CG1 ILE A 58 71.460 14.853 -3.225 1.00 1.00 C ATOM 962 CG2 ILE A 58 69.108 14.154 -2.660 1.00 1.00 C ATOM 963 CD1 ILE A 58 72.906 14.352 -3.421 1.00 1.00 C ATOM 0 H ILE A 58 70.836 11.408 -0.990 1.00 1.00 H new ATOM 0 HA ILE A 58 71.830 14.226 -0.738 1.00 1.00 H new ATOM 0 HB ILE A 58 70.742 12.799 -3.025 1.00 1.00 H new ATOM 0 HG12 ILE A 58 71.026 15.113 -4.190 1.00 1.00 H new ATOM 0 HG13 ILE A 58 71.462 15.761 -2.621 1.00 1.00 H new ATOM 0 HG21 ILE A 58 68.857 14.287 -3.712 1.00 1.00 H new ATOM 0 HG22 ILE A 58 68.484 13.368 -2.234 1.00 1.00 H new ATOM 0 HG23 ILE A 58 68.932 15.087 -2.125 1.00 1.00 H new ATOM 0 HD11 ILE A 58 73.497 15.128 -3.906 1.00 1.00 H new ATOM 0 HD12 ILE A 58 73.344 14.115 -2.451 1.00 1.00 H new ATOM 0 HD13 ILE A 58 72.900 13.458 -4.044 1.00 1.00 H new ATOM 975 N PRO A 59 69.908 15.196 0.549 1.00 1.00 N ATOM 976 CA PRO A 59 68.777 15.712 1.407 1.00 1.00 C ATOM 977 C PRO A 59 67.396 15.547 0.725 1.00 1.00 C ATOM 978 O PRO A 59 67.316 15.481 -0.501 1.00 1.00 O ATOM 979 CB PRO A 59 69.094 17.230 1.492 1.00 1.00 C ATOM 980 CG PRO A 59 70.564 17.278 1.522 1.00 1.00 C ATOM 981 CD PRO A 59 70.985 16.245 0.472 1.00 1.00 C ATOM 0 HA PRO A 59 68.716 15.184 2.359 1.00 1.00 H new ATOM 0 HB2 PRO A 59 68.693 17.771 0.635 1.00 1.00 H new ATOM 0 HB3 PRO A 59 68.660 17.680 2.385 1.00 1.00 H new ATOM 0 HG2 PRO A 59 70.937 18.272 1.277 1.00 1.00 H new ATOM 0 HG3 PRO A 59 70.952 17.026 2.509 1.00 1.00 H new ATOM 0 HD2 PRO A 59 71.043 16.687 -0.523 1.00 1.00 H new ATOM 0 HD3 PRO A 59 71.967 15.827 0.693 1.00 1.00 H new ATOM 989 N PRO A 60 66.319 15.531 1.477 1.00 1.00 N ATOM 990 CA PRO A 60 64.937 15.433 0.897 1.00 1.00 C ATOM 991 C PRO A 60 64.597 16.701 0.086 1.00 1.00 C ATOM 992 O PRO A 60 63.637 16.735 -0.682 1.00 1.00 O ATOM 993 CB PRO A 60 64.036 15.285 2.147 1.00 1.00 C ATOM 994 CG PRO A 60 64.814 15.959 3.235 1.00 1.00 C ATOM 995 CD PRO A 60 66.278 15.612 2.951 1.00 1.00 C ATOM 0 HA PRO A 60 64.814 14.605 0.198 1.00 1.00 H new ATOM 0 HB2 PRO A 60 63.066 15.758 1.998 1.00 1.00 H new ATOM 0 HB3 PRO A 60 63.847 14.237 2.381 1.00 1.00 H new ATOM 0 HG2 PRO A 60 64.655 17.037 3.224 1.00 1.00 H new ATOM 0 HG3 PRO A 60 64.508 15.602 4.218 1.00 1.00 H new ATOM 0 HD2 PRO A 60 66.955 16.376 3.332 1.00 1.00 H new ATOM 0 HD3 PRO A 60 66.567 14.669 3.415 1.00 1.00 H new ATOM 1003 N THR A 61 65.411 17.733 0.291 1.00 1.00 N ATOM 1004 CA THR A 61 65.257 19.032 -0.376 1.00 1.00 C ATOM 1005 C THR A 61 65.278 18.921 -1.902 1.00 1.00 C ATOM 1006 O THR A 61 64.469 19.532 -2.600 1.00 1.00 O ATOM 1007 CB THR A 61 66.422 19.923 0.054 1.00 1.00 C ATOM 1008 OG1 THR A 61 66.456 19.999 1.472 1.00 1.00 O ATOM 1009 CG2 THR A 61 66.255 21.332 -0.528 1.00 1.00 C ATOM 0 H THR A 61 66.205 17.695 0.930 1.00 1.00 H new ATOM 0 HA THR A 61 64.289 19.443 -0.089 1.00 1.00 H new ATOM 0 HB THR A 61 67.353 19.495 -0.317 1.00 1.00 H new ATOM 0 HG1 THR A 61 67.203 20.568 1.751 1.00 1.00 H new ATOM 0 HG21 THR A 61 67.091 21.957 -0.214 1.00 1.00 H new ATOM 0 HG22 THR A 61 66.232 21.276 -1.616 1.00 1.00 H new ATOM 0 HG23 THR A 61 65.322 21.766 -0.168 1.00 1.00 H new ATOM 1017 N VAL A 62 66.243 18.167 -2.397 1.00 1.00 N ATOM 1018 CA VAL A 62 66.447 17.982 -3.830 1.00 1.00 C ATOM 1019 C VAL A 62 65.261 17.330 -4.548 1.00 1.00 C ATOM 1020 O VAL A 62 64.822 17.812 -5.590 1.00 1.00 O ATOM 1021 CB VAL A 62 67.653 17.067 -3.992 1.00 1.00 C ATOM 1022 CG1 VAL A 62 67.990 16.890 -5.480 1.00 1.00 C ATOM 1023 CG2 VAL A 62 68.861 17.672 -3.255 1.00 1.00 C ATOM 0 H VAL A 62 66.913 17.662 -1.817 1.00 1.00 H new ATOM 0 HA VAL A 62 66.580 18.968 -4.276 1.00 1.00 H new ATOM 0 HB VAL A 62 67.417 16.092 -3.566 1.00 1.00 H new ATOM 0 HG11 VAL A 62 68.854 16.234 -5.582 1.00 1.00 H new ATOM 0 HG12 VAL A 62 67.137 16.450 -5.996 1.00 1.00 H new ATOM 0 HG13 VAL A 62 68.218 17.861 -5.919 1.00 1.00 H new ATOM 0 HG21 VAL A 62 69.724 17.016 -3.371 1.00 1.00 H new ATOM 0 HG22 VAL A 62 69.090 18.651 -3.675 1.00 1.00 H new ATOM 0 HG23 VAL A 62 68.626 17.777 -2.196 1.00 1.00 H new ATOM 1033 N TRP A 63 64.781 16.204 -4.020 1.00 1.00 N ATOM 1034 CA TRP A 63 63.686 15.474 -4.673 1.00 1.00 C ATOM 1035 C TRP A 63 62.450 16.334 -4.858 1.00 1.00 C ATOM 1036 O TRP A 63 61.600 16.017 -5.693 1.00 1.00 O ATOM 1037 CB TRP A 63 63.338 14.153 -3.974 1.00 1.00 C ATOM 1038 CG TRP A 63 64.591 13.406 -3.626 1.00 1.00 C ATOM 1039 CD1 TRP A 63 64.900 12.975 -2.381 1.00 1.00 C ATOM 1040 CD2 TRP A 63 65.703 12.984 -4.490 1.00 1.00 C ATOM 1041 NE1 TRP A 63 66.125 12.346 -2.413 1.00 1.00 N ATOM 1042 CE2 TRP A 63 66.659 12.325 -3.682 1.00 1.00 C ATOM 1043 CE3 TRP A 63 65.992 13.107 -5.871 1.00 1.00 C ATOM 1044 CZ2 TRP A 63 67.843 11.819 -4.208 1.00 1.00 C ATOM 1045 CZ3 TRP A 63 67.182 12.596 -6.396 1.00 1.00 C ATOM 1046 CH2 TRP A 63 68.108 11.958 -5.570 1.00 1.00 C ATOM 0 H TRP A 63 65.123 15.781 -3.158 1.00 1.00 H new ATOM 0 HA TRP A 63 64.063 15.216 -5.663 1.00 1.00 H new ATOM 0 HB2 TRP A 63 62.762 14.352 -3.071 1.00 1.00 H new ATOM 0 HB3 TRP A 63 62.711 13.543 -4.624 1.00 1.00 H new ATOM 0 HD1 TRP A 63 64.285 13.104 -1.503 1.00 1.00 H new ATOM 0 HE1 TRP A 63 66.582 11.944 -1.595 1.00 1.00 H new ATOM 0 HE3 TRP A 63 65.287 13.600 -6.524 1.00 1.00 H new ATOM 0 HZ2 TRP A 63 68.553 11.321 -3.565 1.00 1.00 H new ATOM 0 HZ3 TRP A 63 67.387 12.696 -7.452 1.00 1.00 H new ATOM 0 HH2 TRP A 63 69.028 11.573 -5.985 1.00 1.00 H new ATOM 1057 N GLN A 64 62.410 17.493 -4.162 1.00 1.00 N ATOM 1058 CA GLN A 64 61.300 18.479 -4.374 1.00 1.00 C ATOM 1059 C GLN A 64 61.661 19.431 -5.529 1.00 1.00 C ATOM 1060 O GLN A 64 60.776 19.959 -6.202 1.00 1.00 O ATOM 1061 CB GLN A 64 60.883 19.209 -3.096 1.00 1.00 C ATOM 1062 CG GLN A 64 60.379 18.198 -2.065 1.00 1.00 C ATOM 1063 CD GLN A 64 60.006 18.920 -0.775 1.00 1.00 C ATOM 1064 OE1 GLN A 64 60.266 20.115 -0.634 1.00 1.00 O ATOM 1065 NE2 GLN A 64 59.408 18.264 0.182 1.00 1.00 N ATOM 0 H GLN A 64 63.104 17.772 -3.468 1.00 1.00 H new ATOM 0 HA GLN A 64 60.408 17.922 -4.662 1.00 1.00 H new ATOM 0 HB2 GLN A 64 61.729 19.765 -2.691 1.00 1.00 H new ATOM 0 HB3 GLN A 64 60.102 19.935 -3.319 1.00 1.00 H new ATOM 0 HG2 GLN A 64 59.513 17.665 -2.458 1.00 1.00 H new ATOM 0 HG3 GLN A 64 61.149 17.453 -1.866 1.00 1.00 H new ATOM 0 HE21 GLN A 64 59.193 17.274 0.064 1.00 1.00 H new ATOM 0 HE22 GLN A 64 59.156 18.742 1.047 1.00 1.00 H new ATOM 1074 N HIS A 65 62.972 19.660 -5.744 1.00 1.00 N ATOM 1075 CA HIS A 65 63.464 20.564 -6.805 1.00 1.00 C ATOM 1076 C HIS A 65 64.074 19.808 -7.981 1.00 1.00 C ATOM 1077 O HIS A 65 63.632 19.959 -9.118 1.00 1.00 O ATOM 1078 CB HIS A 65 64.542 21.478 -6.213 1.00 1.00 C ATOM 1079 CG HIS A 65 63.941 22.342 -5.138 1.00 1.00 C ATOM 1080 ND1 HIS A 65 64.361 22.278 -3.818 1.00 1.00 N ATOM 1081 CD2 HIS A 65 62.958 23.300 -5.171 1.00 1.00 C ATOM 1082 CE1 HIS A 65 63.641 23.173 -3.118 1.00 1.00 C ATOM 1083 NE2 HIS A 65 62.770 23.824 -3.895 1.00 1.00 N ATOM 0 H HIS A 65 63.714 19.228 -5.193 1.00 1.00 H new ATOM 0 HA HIS A 65 62.609 21.130 -7.175 1.00 1.00 H new ATOM 0 HB2 HIS A 65 65.353 20.879 -5.800 1.00 1.00 H new ATOM 0 HB3 HIS A 65 64.973 22.102 -6.996 1.00 1.00 H new ATOM 0 HD1 HIS A 65 65.085 21.664 -3.445 1.00 1.00 H new ATOM 0 HD2 HIS A 65 62.413 23.601 -6.053 1.00 1.00 H new ATOM 0 HE1 HIS A 65 63.753 23.345 -2.058 1.00 1.00 H new ATOM 1092 N VAL A 66 65.098 19.008 -7.708 1.00 1.00 N ATOM 1093 CA VAL A 66 65.772 18.252 -8.753 1.00 1.00 C ATOM 1094 C VAL A 66 66.317 19.201 -9.822 1.00 1.00 C ATOM 1095 O VAL A 66 66.109 18.990 -11.017 1.00 1.00 O ATOM 1096 CB VAL A 66 64.807 17.232 -9.390 1.00 1.00 C ATOM 1097 CG1 VAL A 66 65.603 16.138 -10.112 1.00 1.00 C ATOM 1098 CG2 VAL A 66 63.981 16.559 -8.310 1.00 1.00 C ATOM 0 H VAL A 66 65.478 18.867 -6.772 1.00 1.00 H new ATOM 0 HA VAL A 66 66.604 17.709 -8.306 1.00 1.00 H new ATOM 0 HB VAL A 66 64.163 17.763 -10.091 1.00 1.00 H new ATOM 0 HG11 VAL A 66 64.914 15.422 -10.559 1.00 1.00 H new ATOM 0 HG12 VAL A 66 66.215 16.589 -10.893 1.00 1.00 H new ATOM 0 HG13 VAL A 66 66.247 15.625 -9.398 1.00 1.00 H new ATOM 0 HG21 VAL A 66 63.301 15.840 -8.767 1.00 1.00 H new ATOM 0 HG22 VAL A 66 64.643 16.042 -7.615 1.00 1.00 H new ATOM 0 HG23 VAL A 66 63.405 17.311 -7.771 1.00 1.00 H new ATOM 1108 N LYS A 67 67.016 20.251 -9.379 1.00 1.00 N ATOM 1109 CA LYS A 67 67.598 21.245 -10.292 1.00 1.00 C ATOM 1110 C LYS A 67 68.870 21.836 -9.691 1.00 1.00 C ATOM 1111 O LYS A 67 69.917 21.870 -10.336 1.00 1.00 O ATOM 1112 CB LYS A 67 66.596 22.382 -10.552 1.00 1.00 C ATOM 1113 CG LYS A 67 65.403 21.869 -11.366 1.00 1.00 C ATOM 1114 CD LYS A 67 64.493 23.050 -11.743 1.00 1.00 C ATOM 1115 CE LYS A 67 63.147 22.529 -12.261 1.00 1.00 C ATOM 1116 NZ LYS A 67 62.389 21.917 -11.134 1.00 1.00 N ATOM 0 H LYS A 67 67.194 20.436 -8.392 1.00 1.00 H new ATOM 0 HA LYS A 67 67.836 20.745 -11.231 1.00 1.00 H new ATOM 0 HB2 LYS A 67 66.248 22.792 -9.604 1.00 1.00 H new ATOM 0 HB3 LYS A 67 67.088 23.193 -11.088 1.00 1.00 H new ATOM 0 HG2 LYS A 67 65.754 21.364 -12.266 1.00 1.00 H new ATOM 0 HG3 LYS A 67 64.843 21.135 -10.787 1.00 1.00 H new ATOM 0 HD2 LYS A 67 64.335 23.690 -10.875 1.00 1.00 H new ATOM 0 HD3 LYS A 67 64.974 23.661 -12.506 1.00 1.00 H new ATOM 0 HE2 LYS A 67 62.573 23.345 -12.700 1.00 1.00 H new ATOM 0 HE3 LYS A 67 63.308 21.793 -13.049 1.00 1.00 H new ATOM 0 HZ1 LYS A 67 61.384 21.841 -11.392 1.00 1.00 H new ATOM 0 HZ2 LYS A 67 62.768 20.969 -10.935 1.00 1.00 H new ATOM 0 HZ3 LYS A 67 62.485 22.513 -10.287 1.00 1.00 H new ATOM 1130 N HIS A 68 68.764 22.311 -8.458 1.00 1.00 N ATOM 1131 CA HIS A 68 69.904 22.918 -7.776 1.00 1.00 C ATOM 1132 C HIS A 68 71.135 22.013 -7.844 1.00 1.00 C ATOM 1133 O HIS A 68 71.027 20.791 -7.752 1.00 1.00 O ATOM 1134 CB HIS A 68 69.553 23.188 -6.307 1.00 1.00 C ATOM 1135 CG HIS A 68 68.524 24.283 -6.221 1.00 1.00 C ATOM 1136 ND1 HIS A 68 67.240 24.058 -5.752 1.00 1.00 N ATOM 1137 CD2 HIS A 68 68.579 25.617 -6.541 1.00 1.00 C ATOM 1138 CE1 HIS A 68 66.579 25.229 -5.803 1.00 1.00 C ATOM 1139 NE2 HIS A 68 67.350 26.212 -6.277 1.00 1.00 N ATOM 0 H HIS A 68 67.905 22.289 -7.909 1.00 1.00 H new ATOM 0 HA HIS A 68 70.135 23.857 -8.280 1.00 1.00 H new ATOM 0 HB2 HIS A 68 69.170 22.279 -5.842 1.00 1.00 H new ATOM 0 HB3 HIS A 68 70.449 23.474 -5.756 1.00 1.00 H new ATOM 0 HD2 HIS A 68 69.445 26.127 -6.937 1.00 1.00 H new ATOM 0 HE1 HIS A 68 65.551 25.358 -5.498 1.00 1.00 H new ATOM 0 HE2 HIS A 68 67.092 27.189 -6.416 1.00 1.00 H new ATOM 1148 N HIS A 69 72.305 22.634 -7.992 1.00 1.00 N ATOM 1149 CA HIS A 69 73.562 21.899 -8.060 1.00 1.00 C ATOM 1150 C HIS A 69 74.731 22.883 -8.063 1.00 1.00 C ATOM 1151 O HIS A 69 74.531 24.091 -7.938 1.00 1.00 O ATOM 1152 CB HIS A 69 73.604 21.028 -9.321 1.00 1.00 C ATOM 1153 CG HIS A 69 73.501 21.903 -10.542 1.00 1.00 C ATOM 1154 ND1 HIS A 69 72.315 22.054 -11.246 1.00 1.00 N ATOM 1155 CD2 HIS A 69 74.426 22.677 -11.196 1.00 1.00 C ATOM 1156 CE1 HIS A 69 72.558 22.891 -12.272 1.00 1.00 C ATOM 1157 NE2 HIS A 69 73.829 23.300 -12.288 1.00 1.00 N ATOM 0 H HIS A 69 72.406 23.646 -8.067 1.00 1.00 H new ATOM 0 HA HIS A 69 73.640 21.249 -7.188 1.00 1.00 H new ATOM 0 HB2 HIS A 69 74.531 20.455 -9.349 1.00 1.00 H new ATOM 0 HB3 HIS A 69 72.785 20.309 -9.306 1.00 1.00 H new ATOM 0 HD1 HIS A 69 71.422 21.612 -11.026 1.00 1.00 H new ATOM 0 HD2 HIS A 69 75.461 22.786 -10.907 1.00 1.00 H new ATOM 0 HE1 HIS A 69 71.815 23.195 -12.995 1.00 1.00 H new ATOM 1166 N HIS A 70 75.951 22.367 -8.200 1.00 1.00 N ATOM 1167 CA HIS A 70 77.144 23.221 -8.209 1.00 1.00 C ATOM 1168 C HIS A 70 78.305 22.519 -8.906 1.00 1.00 C ATOM 1169 O HIS A 70 78.539 21.328 -8.702 1.00 1.00 O ATOM 1170 CB HIS A 70 77.547 23.568 -6.770 1.00 1.00 C ATOM 1171 CG HIS A 70 76.521 24.486 -6.160 1.00 1.00 C ATOM 1172 ND1 HIS A 70 76.603 25.865 -6.277 1.00 1.00 N ATOM 1173 CD2 HIS A 70 75.388 24.239 -5.426 1.00 1.00 C ATOM 1174 CE1 HIS A 70 75.549 26.391 -5.629 1.00 1.00 C ATOM 1175 NE2 HIS A 70 74.776 25.444 -5.091 1.00 1.00 N ATOM 0 H HIS A 70 76.142 21.371 -8.306 1.00 1.00 H new ATOM 0 HA HIS A 70 76.908 24.135 -8.754 1.00 1.00 H new ATOM 0 HB2 HIS A 70 77.632 22.657 -6.177 1.00 1.00 H new ATOM 0 HB3 HIS A 70 78.527 24.046 -6.762 1.00 1.00 H new ATOM 0 HD2 HIS A 70 75.026 23.259 -5.150 1.00 1.00 H new ATOM 0 HE1 HIS A 70 75.351 27.450 -5.553 1.00 1.00 H new ATOM 0 HE2 HIS A 70 73.921 25.575 -4.551 1.00 1.00 H new