USER MOD reduce.3.24.130724 H: found=0, std=0, add=406, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 407 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 18 THR OG1 : rot -110:sc= 1.14 USER MOD Set 1.2: A 31 THR OG1 : rot 97:sc= 1.29 USER MOD Set 2.1: A 23 ASN : amide:sc= -1.17 K(o=-3.8,f=-6.5!) USER MOD Set 2.2: A 42 ASN : amide:sc= -2.58 X(o=-3.8,f=-3.7) USER MOD Set 3.1: A 2 LYS NZ :NH3+ -127:sc= 0.00243 (180deg=0) USER MOD Set 3.2: A 5 GLN : amide:sc= -1.31 X(o=-1.3,f=-1.3) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 SER OG : rot 180:sc= 0.11 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 TYR OH : rot -107:sc= -0.175 USER MOD Single : A 22 TYR OH : rot 15:sc= 1.27 USER MOD Single : A 26 SER OG : rot 180:sc= -0.669 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 TYR OH : rot -42:sc= 0.297 USER MOD Single : A 40 ASN : amide:sc= -3.29 K(o=-3.3,f=-7.9!) USER MOD Single : A 41 SER OG : rot -52:sc= 0.0064 USER MOD Single : A 43 ASN : amide:sc= -0.139 K(o=-0.14,f=-4.6!) USER MOD Single : A 46 THR OG1 : rot -76:sc= -0.403 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 GLN : amide:sc= -0.205 K(o=-0.21,f=-2.7!) USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 23 N LYS A 2 0.543 -0.220 -3.212 1.00 34.31 N ATOM 24 CA LYS A 2 -0.531 -0.083 -4.188 1.00 54.44 C ATOM 25 C LYS A 2 -0.022 0.570 -5.469 1.00 64.14 C ATOM 26 O LYS A 2 -0.806 0.975 -6.327 1.00 15.51 O ATOM 27 CB LYS A 2 -1.678 0.745 -3.603 1.00 43.30 C ATOM 28 CG LYS A 2 -2.998 0.553 -4.328 1.00 55.40 C ATOM 29 CD LYS A 2 -3.914 -0.399 -3.577 1.00 1.43 C ATOM 30 CE LYS A 2 -3.290 -1.779 -3.439 1.00 33.10 C ATOM 31 NZ LYS A 2 -4.323 -2.845 -3.324 1.00 74.42 N ATOM 0 HA LYS A 2 -0.897 -1.081 -4.430 1.00 54.44 H new ATOM 0 HB2 LYS A 2 -1.808 0.480 -2.554 1.00 43.30 H new ATOM 0 HB3 LYS A 2 -1.406 1.800 -3.634 1.00 43.30 H new ATOM 0 HG2 LYS A 2 -3.492 1.517 -4.447 1.00 55.40 H new ATOM 0 HG3 LYS A 2 -2.811 0.165 -5.329 1.00 55.40 H new ATOM 0 HD2 LYS A 2 -4.129 0.005 -2.588 1.00 1.43 H new ATOM 0 HD3 LYS A 2 -4.866 -0.480 -4.102 1.00 1.43 H new ATOM 0 HE2 LYS A 2 -2.656 -1.979 -4.303 1.00 33.10 H new ATOM 0 HE3 LYS A 2 -2.646 -1.800 -2.560 1.00 33.10 H new ATOM 0 HZ1 LYS A 2 -4.135 -3.421 -2.479 1.00 74.42 H new ATOM 0 HZ2 LYS A 2 -5.264 -2.409 -3.243 1.00 74.42 H new ATOM 0 HZ3 LYS A 2 -4.293 -3.450 -4.169 1.00 74.42 H new ATOM 45 N LYS A 3 1.298 0.667 -5.594 1.00 73.00 N ATOM 46 CA LYS A 3 1.913 1.267 -6.771 1.00 44.45 C ATOM 47 C LYS A 3 2.329 0.196 -7.775 1.00 35.14 C ATOM 48 O LYS A 3 2.735 0.504 -8.895 1.00 41.33 O ATOM 49 CB LYS A 3 3.131 2.101 -6.366 1.00 41.15 C ATOM 50 CG LYS A 3 2.774 3.383 -5.634 1.00 43.24 C ATOM 51 CD LYS A 3 3.347 3.400 -4.227 1.00 71.41 C ATOM 52 CE LYS A 3 2.562 4.332 -3.317 1.00 20.43 C ATOM 53 NZ LYS A 3 3.398 5.463 -2.828 1.00 32.14 N ATOM 0 H LYS A 3 1.962 0.337 -4.894 1.00 73.00 H new ATOM 0 HA LYS A 3 1.176 1.916 -7.244 1.00 44.45 H new ATOM 0 HB2 LYS A 3 3.779 1.498 -5.730 1.00 41.15 H new ATOM 0 HB3 LYS A 3 3.704 2.350 -7.259 1.00 41.15 H new ATOM 0 HG2 LYS A 3 3.153 4.239 -6.192 1.00 43.24 H new ATOM 0 HG3 LYS A 3 1.690 3.487 -5.588 1.00 43.24 H new ATOM 0 HD2 LYS A 3 3.333 2.391 -3.815 1.00 71.41 H new ATOM 0 HD3 LYS A 3 4.390 3.716 -4.261 1.00 71.41 H new ATOM 0 HE2 LYS A 3 1.699 4.724 -3.856 1.00 20.43 H new ATOM 0 HE3 LYS A 3 2.178 3.770 -2.466 1.00 20.43 H new ATOM 0 HZ1 LYS A 3 2.827 6.075 -2.211 1.00 32.14 H new ATOM 0 HZ2 LYS A 3 4.208 5.090 -2.292 1.00 32.14 H new ATOM 0 HZ3 LYS A 3 3.744 6.015 -3.639 1.00 32.14 H new ATOM 67 N CYS A 4 2.222 -1.064 -7.366 1.00 3.14 N ATOM 68 CA CYS A 4 2.585 -2.182 -8.228 1.00 44.32 C ATOM 69 C CYS A 4 1.390 -2.638 -9.060 1.00 41.50 C ATOM 70 O CYS A 4 1.432 -3.688 -9.700 1.00 51.21 O ATOM 71 CB CYS A 4 3.113 -3.349 -7.391 1.00 50.32 C ATOM 72 SG CYS A 4 4.025 -4.600 -8.351 1.00 42.31 S ATOM 0 H CYS A 4 1.886 -1.336 -6.442 1.00 3.14 H new ATOM 0 HA CYS A 4 3.370 -1.846 -8.905 1.00 44.32 H new ATOM 0 HB2 CYS A 4 3.767 -2.957 -6.612 1.00 50.32 H new ATOM 0 HB3 CYS A 4 2.274 -3.832 -6.890 1.00 50.32 H new ATOM 77 N GLN A 5 0.327 -1.840 -9.045 1.00 0.11 N ATOM 78 CA GLN A 5 -0.880 -2.162 -9.797 1.00 43.24 C ATOM 79 C GLN A 5 -1.486 -0.907 -10.417 1.00 43.02 C ATOM 80 O GLN A 5 -2.612 -0.525 -10.097 1.00 32.33 O ATOM 81 CB GLN A 5 -1.905 -2.843 -8.890 1.00 34.11 C ATOM 82 CG GLN A 5 -1.813 -2.411 -7.435 1.00 63.33 C ATOM 83 CD GLN A 5 -2.977 -2.910 -6.603 1.00 73.30 C ATOM 84 OE1 GLN A 5 -2.922 -3.996 -6.025 1.00 71.21 O ATOM 85 NE2 GLN A 5 -4.041 -2.118 -6.537 1.00 42.32 N ATOM 0 H GLN A 5 0.277 -0.966 -8.521 1.00 0.11 H new ATOM 0 HA GLN A 5 -0.606 -2.846 -10.600 1.00 43.24 H new ATOM 0 HB2 GLN A 5 -2.907 -2.627 -9.262 1.00 34.11 H new ATOM 0 HB3 GLN A 5 -1.769 -3.923 -8.949 1.00 34.11 H new ATOM 0 HG2 GLN A 5 -0.881 -2.782 -7.008 1.00 63.33 H new ATOM 0 HG3 GLN A 5 -1.776 -1.323 -7.385 1.00 63.33 H new ATOM 0 HE21 GLN A 5 -4.044 -1.226 -7.032 1.00 42.32 H new ATOM 0 HE22 GLN A 5 -4.855 -2.402 -5.992 1.00 42.32 H new ATOM 94 N LEU A 6 -0.732 -0.269 -11.306 1.00 1.13 N ATOM 95 CA LEU A 6 -1.195 0.944 -11.971 1.00 4.10 C ATOM 96 C LEU A 6 -1.328 0.724 -13.474 1.00 63.34 C ATOM 97 O LEU A 6 -0.556 -0.012 -14.089 1.00 63.35 O ATOM 98 CB LEU A 6 -0.230 2.099 -11.697 1.00 10.32 C ATOM 99 CG LEU A 6 -0.442 2.853 -10.383 1.00 42.25 C ATOM 100 CD1 LEU A 6 -1.699 3.705 -10.454 1.00 15.41 C ATOM 101 CD2 LEU A 6 -0.520 1.880 -9.216 1.00 64.23 C ATOM 0 H LEU A 6 0.202 -0.571 -11.583 1.00 1.13 H new ATOM 0 HA LEU A 6 -2.177 1.196 -11.571 1.00 4.10 H new ATOM 0 HB2 LEU A 6 0.787 1.707 -11.708 1.00 10.32 H new ATOM 0 HB3 LEU A 6 -0.305 2.812 -12.518 1.00 10.32 H new ATOM 0 HG LEU A 6 0.411 3.513 -10.223 1.00 42.25 H new ATOM 0 HD11 LEU A 6 -1.834 4.234 -9.511 1.00 15.41 H new ATOM 0 HD12 LEU A 6 -1.604 4.427 -11.265 1.00 15.41 H new ATOM 0 HD13 LEU A 6 -2.562 3.065 -10.638 1.00 15.41 H new ATOM 0 HD21 LEU A 6 -0.671 2.434 -8.290 1.00 64.23 H new ATOM 0 HD22 LEU A 6 -1.354 1.195 -9.369 1.00 64.23 H new ATOM 0 HD23 LEU A 6 0.409 1.313 -9.152 1.00 64.23 H new ATOM 113 N PRO A 7 -2.329 1.377 -14.082 1.00 43.43 N ATOM 114 CA PRO A 7 -2.585 1.271 -15.522 1.00 21.13 C ATOM 115 C PRO A 7 -1.504 1.951 -16.355 1.00 0.22 C ATOM 116 O PRO A 7 -0.643 2.650 -15.820 1.00 64.53 O ATOM 117 CB PRO A 7 -3.926 1.988 -15.697 1.00 61.14 C ATOM 118 CG PRO A 7 -3.998 2.941 -14.555 1.00 34.13 C ATOM 119 CD PRO A 7 -3.287 2.271 -13.411 1.00 53.43 C ATOM 0 HA PRO A 7 -2.593 0.235 -15.860 1.00 21.13 H new ATOM 0 HB2 PRO A 7 -3.974 2.511 -16.652 1.00 61.14 H new ATOM 0 HB3 PRO A 7 -4.757 1.283 -15.677 1.00 61.14 H new ATOM 0 HG2 PRO A 7 -3.524 3.889 -14.808 1.00 34.13 H new ATOM 0 HG3 PRO A 7 -5.033 3.162 -14.295 1.00 34.13 H new ATOM 0 HD2 PRO A 7 -2.781 2.995 -12.773 1.00 53.43 H new ATOM 0 HD3 PRO A 7 -3.979 1.716 -12.778 1.00 53.43 H new ATOM 127 N SER A 8 -1.556 1.743 -17.667 1.00 4.14 N ATOM 128 CA SER A 8 -0.578 2.334 -18.573 1.00 53.13 C ATOM 129 C SER A 8 -0.947 3.777 -18.904 1.00 73.02 C ATOM 130 O SER A 8 -2.096 4.189 -18.741 1.00 20.32 O ATOM 131 CB SER A 8 -0.483 1.512 -19.860 1.00 41.21 C ATOM 132 OG SER A 8 -1.439 0.467 -19.870 1.00 34.34 O ATOM 0 H SER A 8 -2.264 1.170 -18.126 1.00 4.14 H new ATOM 0 HA SER A 8 0.392 2.330 -18.075 1.00 53.13 H new ATOM 0 HB2 SER A 8 -0.640 2.161 -20.722 1.00 41.21 H new ATOM 0 HB3 SER A 8 0.519 1.093 -19.954 1.00 41.21 H new ATOM 0 HG SER A 8 -1.359 -0.042 -20.704 1.00 34.34 H new ATOM 138 N ASP A 9 0.035 4.540 -19.370 1.00 42.01 N ATOM 139 CA ASP A 9 -0.185 5.937 -19.726 1.00 4.24 C ATOM 140 C ASP A 9 1.087 6.560 -20.294 1.00 32.12 C ATOM 141 O ASP A 9 2.149 6.503 -19.674 1.00 61.12 O ATOM 142 CB ASP A 9 -0.653 6.729 -18.504 1.00 30.13 C ATOM 143 CG ASP A 9 -1.623 7.835 -18.868 1.00 12.51 C ATOM 144 OD1 ASP A 9 -2.754 7.518 -19.292 1.00 72.30 O ATOM 145 OD2 ASP A 9 -1.252 9.019 -18.728 1.00 2.30 O ATOM 0 H ASP A 9 0.992 4.215 -19.510 1.00 42.01 H new ATOM 0 HA ASP A 9 -0.960 5.973 -20.492 1.00 4.24 H new ATOM 0 HB2 ASP A 9 -1.129 6.051 -17.796 1.00 30.13 H new ATOM 0 HB3 ASP A 9 0.212 7.160 -18.001 1.00 30.13 H new ATOM 150 N VAL A 10 0.971 7.154 -21.478 1.00 21.54 N ATOM 151 CA VAL A 10 2.111 7.787 -22.130 1.00 32.12 C ATOM 152 C VAL A 10 1.980 9.306 -22.111 1.00 63.24 C ATOM 153 O VAL A 10 2.977 10.024 -22.054 1.00 2.42 O ATOM 154 CB VAL A 10 2.258 7.313 -23.588 1.00 32.00 C ATOM 155 CG1 VAL A 10 1.137 7.876 -24.448 1.00 52.12 C ATOM 156 CG2 VAL A 10 3.617 7.710 -24.142 1.00 45.34 C ATOM 0 H VAL A 10 0.099 7.210 -22.005 1.00 21.54 H new ATOM 0 HA VAL A 10 2.999 7.495 -21.570 1.00 32.12 H new ATOM 0 HB VAL A 10 2.187 6.225 -23.607 1.00 32.00 H new ATOM 0 HG11 VAL A 10 1.257 7.530 -25.475 1.00 52.12 H new ATOM 0 HG12 VAL A 10 0.176 7.537 -24.061 1.00 52.12 H new ATOM 0 HG13 VAL A 10 1.173 8.965 -24.425 1.00 52.12 H new ATOM 0 HG21 VAL A 10 3.704 7.367 -25.173 1.00 45.34 H new ATOM 0 HG22 VAL A 10 3.720 8.795 -24.110 1.00 45.34 H new ATOM 0 HG23 VAL A 10 4.403 7.253 -23.540 1.00 45.34 H new ATOM 166 N GLY A 11 0.742 9.789 -22.160 1.00 64.32 N ATOM 167 CA GLY A 11 0.503 11.220 -22.148 1.00 5.13 C ATOM 168 C GLY A 11 1.293 11.949 -23.217 1.00 32.01 C ATOM 169 O GLY A 11 1.880 11.324 -24.101 1.00 13.32 O ATOM 0 H GLY A 11 -0.099 9.214 -22.208 1.00 64.32 H new ATOM 0 HA2 GLY A 11 -0.560 11.409 -22.294 1.00 5.13 H new ATOM 0 HA3 GLY A 11 0.766 11.621 -21.169 1.00 5.13 H new ATOM 173 N LYS A 12 1.307 13.275 -23.139 1.00 11.31 N ATOM 174 CA LYS A 12 2.029 14.092 -24.107 1.00 63.42 C ATOM 175 C LYS A 12 3.129 14.899 -23.425 1.00 52.51 C ATOM 176 O LYS A 12 3.150 15.027 -22.202 1.00 4.52 O ATOM 177 CB LYS A 12 1.065 15.033 -24.832 1.00 12.11 C ATOM 178 CG LYS A 12 -0.092 15.503 -23.967 1.00 4.14 C ATOM 179 CD LYS A 12 -1.306 14.603 -24.121 1.00 62.24 C ATOM 180 CE LYS A 12 -2.455 15.060 -23.236 1.00 20.52 C ATOM 181 NZ LYS A 12 -3.205 16.195 -23.842 1.00 21.53 N ATOM 0 H LYS A 12 0.826 13.808 -22.414 1.00 11.31 H new ATOM 0 HA LYS A 12 2.491 13.425 -24.835 1.00 63.42 H new ATOM 0 HB2 LYS A 12 1.618 15.902 -25.188 1.00 12.11 H new ATOM 0 HB3 LYS A 12 0.668 14.526 -25.711 1.00 12.11 H new ATOM 0 HG2 LYS A 12 0.218 15.521 -22.922 1.00 4.14 H new ATOM 0 HG3 LYS A 12 -0.359 16.524 -24.238 1.00 4.14 H new ATOM 0 HD2 LYS A 12 -1.627 14.599 -25.163 1.00 62.24 H new ATOM 0 HD3 LYS A 12 -1.035 13.578 -23.867 1.00 62.24 H new ATOM 0 HE2 LYS A 12 -3.135 14.226 -23.064 1.00 20.52 H new ATOM 0 HE3 LYS A 12 -2.067 15.360 -22.263 1.00 20.52 H new ATOM 0 HZ1 LYS A 12 -3.980 16.477 -23.208 1.00 21.53 H new ATOM 0 HZ2 LYS A 12 -2.562 17.000 -23.982 1.00 21.53 H new ATOM 0 HZ3 LYS A 12 -3.598 15.901 -24.759 1.00 21.53 H new ATOM 195 N GLY A 13 4.040 15.444 -24.226 1.00 1.34 N ATOM 196 CA GLY A 13 5.129 16.234 -23.681 1.00 11.13 C ATOM 197 C GLY A 13 6.263 16.418 -24.669 1.00 40.14 C ATOM 198 O GLY A 13 6.176 15.976 -25.815 1.00 51.54 O ATOM 0 H GLY A 13 4.043 15.353 -25.242 1.00 1.34 H new ATOM 0 HA2 GLY A 13 4.750 17.211 -23.381 1.00 11.13 H new ATOM 0 HA3 GLY A 13 5.510 15.750 -22.782 1.00 11.13 H new ATOM 202 N LYS A 14 7.331 17.074 -24.227 1.00 72.32 N ATOM 203 CA LYS A 14 8.488 17.316 -25.081 1.00 12.55 C ATOM 204 C LYS A 14 9.504 16.185 -24.955 1.00 15.52 C ATOM 205 O LYS A 14 10.439 16.088 -25.748 1.00 62.01 O ATOM 206 CB LYS A 14 9.145 18.650 -24.716 1.00 63.52 C ATOM 207 CG LYS A 14 8.207 19.839 -24.822 1.00 2.41 C ATOM 208 CD LYS A 14 7.479 20.093 -23.513 1.00 12.22 C ATOM 209 CE LYS A 14 6.707 21.404 -23.549 1.00 64.41 C ATOM 210 NZ LYS A 14 5.428 21.273 -24.299 1.00 54.21 N ATOM 0 H LYS A 14 7.419 17.448 -23.282 1.00 72.32 H new ATOM 0 HA LYS A 14 8.144 17.357 -26.115 1.00 12.55 H new ATOM 0 HB2 LYS A 14 9.528 18.590 -23.697 1.00 63.52 H new ATOM 0 HB3 LYS A 14 10.002 18.814 -25.370 1.00 63.52 H new ATOM 0 HG2 LYS A 14 8.774 20.727 -25.102 1.00 2.41 H new ATOM 0 HG3 LYS A 14 7.481 19.661 -25.615 1.00 2.41 H new ATOM 0 HD2 LYS A 14 6.792 19.271 -23.312 1.00 12.22 H new ATOM 0 HD3 LYS A 14 8.198 20.115 -22.694 1.00 12.22 H new ATOM 0 HE2 LYS A 14 6.499 21.731 -22.530 1.00 64.41 H new ATOM 0 HE3 LYS A 14 7.322 22.175 -24.012 1.00 64.41 H new ATOM 0 HZ1 LYS A 14 4.932 22.187 -24.301 1.00 54.21 H new ATOM 0 HZ2 LYS A 14 5.628 20.985 -25.278 1.00 54.21 H new ATOM 0 HZ3 LYS A 14 4.830 20.555 -23.843 1.00 54.21 H new ATOM 224 N ALA A 15 9.312 15.332 -23.954 1.00 14.41 N ATOM 225 CA ALA A 15 10.209 14.206 -23.727 1.00 50.42 C ATOM 226 C ALA A 15 9.766 12.983 -24.523 1.00 24.14 C ATOM 227 O ALA A 15 8.816 13.048 -25.302 1.00 31.10 O ATOM 228 CB ALA A 15 10.278 13.877 -22.243 1.00 50.04 C ATOM 0 H ALA A 15 8.543 15.400 -23.287 1.00 14.41 H new ATOM 0 HA ALA A 15 11.204 14.490 -24.071 1.00 50.42 H new ATOM 0 HB1 ALA A 15 10.952 13.034 -22.088 1.00 50.04 H new ATOM 0 HB2 ALA A 15 10.649 14.743 -21.695 1.00 50.04 H new ATOM 0 HB3 ALA A 15 9.283 13.618 -21.881 1.00 50.04 H new ATOM 234 N SER A 16 10.462 11.868 -24.321 1.00 42.41 N ATOM 235 CA SER A 16 10.143 10.631 -25.023 1.00 65.23 C ATOM 236 C SER A 16 11.055 9.496 -24.566 1.00 0.34 C ATOM 237 O SER A 16 11.594 8.750 -25.383 1.00 25.33 O ATOM 238 CB SER A 16 10.276 10.829 -26.535 1.00 31.54 C ATOM 239 OG SER A 16 9.260 10.128 -27.232 1.00 25.55 O ATOM 0 H SER A 16 11.250 11.797 -23.677 1.00 42.41 H new ATOM 0 HA SER A 16 9.113 10.364 -24.787 1.00 65.23 H new ATOM 0 HB2 SER A 16 10.218 11.891 -26.772 1.00 31.54 H new ATOM 0 HB3 SER A 16 11.255 10.481 -26.866 1.00 31.54 H new ATOM 0 HG SER A 16 9.366 10.272 -28.196 1.00 25.55 H new ATOM 245 N PHE A 17 11.222 9.373 -23.253 1.00 43.11 N ATOM 246 CA PHE A 17 12.069 8.331 -22.685 1.00 21.32 C ATOM 247 C PHE A 17 11.231 7.147 -22.212 1.00 32.31 C ATOM 248 O PHE A 17 10.019 7.262 -22.028 1.00 54.44 O ATOM 249 CB PHE A 17 12.888 8.889 -21.519 1.00 32.53 C ATOM 250 CG PHE A 17 14.333 8.482 -21.553 1.00 23.25 C ATOM 251 CD1 PHE A 17 14.746 7.294 -20.971 1.00 4.12 C ATOM 252 CD2 PHE A 17 15.279 9.288 -22.166 1.00 22.34 C ATOM 253 CE1 PHE A 17 16.076 6.917 -21.000 1.00 73.35 C ATOM 254 CE2 PHE A 17 16.610 8.915 -22.199 1.00 13.32 C ATOM 255 CZ PHE A 17 17.009 7.729 -21.614 1.00 53.04 C ATOM 0 H PHE A 17 10.782 9.982 -22.563 1.00 43.11 H new ATOM 0 HA PHE A 17 12.748 7.985 -23.464 1.00 21.32 H new ATOM 0 HB2 PHE A 17 12.825 9.977 -21.529 1.00 32.53 H new ATOM 0 HB3 PHE A 17 12.446 8.553 -20.581 1.00 32.53 H new ATOM 0 HD1 PHE A 17 14.021 6.655 -20.489 1.00 4.12 H new ATOM 0 HD2 PHE A 17 14.973 10.218 -22.623 1.00 22.34 H new ATOM 0 HE1 PHE A 17 16.385 5.988 -20.543 1.00 73.35 H new ATOM 0 HE2 PHE A 17 17.337 9.551 -22.682 1.00 13.32 H new ATOM 0 HZ PHE A 17 18.049 7.437 -21.637 1.00 53.04 H new ATOM 265 N THR A 18 11.886 6.006 -22.017 1.00 15.15 N ATOM 266 CA THR A 18 11.202 4.800 -21.567 1.00 61.11 C ATOM 267 C THR A 18 11.551 4.478 -20.119 1.00 22.44 C ATOM 268 O THR A 18 12.720 4.499 -19.732 1.00 51.43 O ATOM 269 CB THR A 18 11.559 3.590 -22.451 1.00 31.33 C ATOM 270 OG1 THR A 18 10.933 2.408 -21.939 1.00 21.12 O ATOM 271 CG2 THR A 18 13.066 3.387 -22.509 1.00 15.53 C ATOM 0 H THR A 18 12.889 5.892 -22.164 1.00 15.15 H new ATOM 0 HA THR A 18 10.132 4.995 -21.645 1.00 61.11 H new ATOM 0 HB THR A 18 11.196 3.786 -23.460 1.00 31.33 H new ATOM 0 HG1 THR A 18 11.615 1.813 -21.564 1.00 21.12 H new ATOM 0 HG21 THR A 18 13.293 2.527 -23.139 1.00 15.53 H new ATOM 0 HG22 THR A 18 13.537 4.277 -22.926 1.00 15.53 H new ATOM 0 HG23 THR A 18 13.448 3.211 -21.504 1.00 15.53 H new ATOM 279 N ARG A 19 10.531 4.178 -19.322 1.00 31.05 N ATOM 280 CA ARG A 19 10.731 3.851 -17.915 1.00 14.42 C ATOM 281 C ARG A 19 10.295 2.418 -17.622 1.00 45.42 C ATOM 282 O ARG A 19 9.434 1.868 -18.308 1.00 52.23 O ATOM 283 CB ARG A 19 9.951 4.824 -17.028 1.00 32.32 C ATOM 284 CG ARG A 19 9.906 6.242 -17.572 1.00 55.10 C ATOM 285 CD ARG A 19 11.303 6.817 -17.745 1.00 14.30 C ATOM 286 NE ARG A 19 11.314 8.273 -17.626 1.00 72.22 N ATOM 287 CZ ARG A 19 12.372 9.025 -17.906 1.00 63.12 C ATOM 288 NH1 ARG A 19 13.499 8.462 -18.320 1.00 22.45 N ATOM 289 NH2 ARG A 19 12.305 10.343 -17.773 1.00 52.45 N ATOM 0 H ARG A 19 9.558 4.155 -19.626 1.00 31.05 H new ATOM 0 HA ARG A 19 11.795 3.941 -17.695 1.00 14.42 H new ATOM 0 HB2 ARG A 19 8.932 4.457 -16.910 1.00 32.32 H new ATOM 0 HB3 ARG A 19 10.402 4.839 -16.036 1.00 32.32 H new ATOM 0 HG2 ARG A 19 9.387 6.249 -18.531 1.00 55.10 H new ATOM 0 HG3 ARG A 19 9.332 6.875 -16.895 1.00 55.10 H new ATOM 0 HD2 ARG A 19 11.967 6.387 -16.996 1.00 14.30 H new ATOM 0 HD3 ARG A 19 11.695 6.530 -18.721 1.00 14.30 H new ATOM 0 HE ARG A 19 10.462 8.737 -17.311 1.00 72.22 H new ATOM 0 HH11 ARG A 19 13.555 7.449 -18.424 1.00 22.45 H new ATOM 0 HH12 ARG A 19 14.310 9.042 -18.534 1.00 22.45 H new ATOM 0 HH21 ARG A 19 11.440 10.780 -17.455 1.00 52.45 H new ATOM 0 HH22 ARG A 19 13.119 10.919 -17.988 1.00 52.45 H new ATOM 303 N TYR A 20 10.897 1.820 -16.600 1.00 42.03 N ATOM 304 CA TYR A 20 10.574 0.450 -16.219 1.00 3.32 C ATOM 305 C TYR A 20 9.716 0.424 -14.958 1.00 31.02 C ATOM 306 O TYR A 20 9.783 1.331 -14.128 1.00 51.43 O ATOM 307 CB TYR A 20 11.856 -0.354 -15.994 1.00 34.23 C ATOM 308 CG TYR A 20 12.946 -0.049 -16.996 1.00 1.14 C ATOM 309 CD1 TYR A 20 13.774 1.056 -16.837 1.00 35.23 C ATOM 310 CD2 TYR A 20 13.150 -0.866 -18.101 1.00 34.11 C ATOM 311 CE1 TYR A 20 14.770 1.339 -17.750 1.00 65.10 C ATOM 312 CE2 TYR A 20 14.145 -0.592 -19.019 1.00 1.44 C ATOM 313 CZ TYR A 20 14.953 0.512 -18.839 1.00 55.21 C ATOM 314 OH TYR A 20 15.945 0.790 -19.750 1.00 65.14 O ATOM 0 H TYR A 20 11.611 2.262 -16.021 1.00 42.03 H new ATOM 0 HA TYR A 20 10.007 -0.003 -17.032 1.00 3.32 H new ATOM 0 HB2 TYR A 20 12.230 -0.152 -14.990 1.00 34.23 H new ATOM 0 HB3 TYR A 20 11.620 -1.417 -16.038 1.00 34.23 H new ATOM 0 HD1 TYR A 20 13.636 1.704 -15.984 1.00 35.23 H new ATOM 0 HD2 TYR A 20 12.519 -1.731 -18.245 1.00 34.11 H new ATOM 0 HE1 TYR A 20 15.403 2.203 -17.612 1.00 65.10 H new ATOM 0 HE2 TYR A 20 14.290 -1.238 -19.872 1.00 1.44 H new ATOM 0 HH TYR A 20 15.941 0.110 -20.456 1.00 65.14 H new ATOM 324 N TYR A 21 8.910 -0.623 -14.821 1.00 20.03 N ATOM 325 CA TYR A 21 8.036 -0.768 -13.662 1.00 63.55 C ATOM 326 C TYR A 21 7.375 -2.143 -13.648 1.00 60.32 C ATOM 327 O TYR A 21 7.264 -2.802 -14.682 1.00 64.43 O ATOM 328 CB TYR A 21 6.966 0.325 -13.664 1.00 62.51 C ATOM 329 CG TYR A 21 6.682 0.896 -12.293 1.00 70.43 C ATOM 330 CD1 TYR A 21 5.849 0.231 -11.401 1.00 64.23 C ATOM 331 CD2 TYR A 21 7.245 2.100 -11.890 1.00 51.23 C ATOM 332 CE1 TYR A 21 5.586 0.749 -10.148 1.00 41.00 C ATOM 333 CE2 TYR A 21 6.988 2.625 -10.639 1.00 4.15 C ATOM 334 CZ TYR A 21 6.158 1.946 -9.771 1.00 44.11 C ATOM 335 OH TYR A 21 5.899 2.466 -8.524 1.00 3.42 O ATOM 0 H TYR A 21 8.843 -1.384 -15.497 1.00 20.03 H new ATOM 0 HA TYR A 21 8.645 -0.668 -12.764 1.00 63.55 H new ATOM 0 HB2 TYR A 21 7.283 1.131 -14.326 1.00 62.51 H new ATOM 0 HB3 TYR A 21 6.043 -0.082 -14.077 1.00 62.51 H new ATOM 0 HD1 TYR A 21 5.400 -0.707 -11.693 1.00 64.23 H new ATOM 0 HD2 TYR A 21 7.895 2.635 -12.567 1.00 51.23 H new ATOM 0 HE1 TYR A 21 4.936 0.220 -9.467 1.00 41.00 H new ATOM 0 HE2 TYR A 21 7.434 3.562 -10.342 1.00 4.15 H new ATOM 0 HH TYR A 21 5.296 3.234 -8.609 1.00 3.42 H new ATOM 345 N TYR A 22 6.936 -2.569 -12.469 1.00 25.11 N ATOM 346 CA TYR A 22 6.287 -3.866 -12.318 1.00 3.24 C ATOM 347 C TYR A 22 4.769 -3.724 -12.365 1.00 40.11 C ATOM 348 O TYR A 22 4.210 -2.750 -11.863 1.00 53.14 O ATOM 349 CB TYR A 22 6.709 -4.520 -11.001 1.00 35.03 C ATOM 350 CG TYR A 22 6.700 -6.031 -11.046 1.00 25.35 C ATOM 351 CD1 TYR A 22 5.505 -6.738 -11.086 1.00 72.20 C ATOM 352 CD2 TYR A 22 7.888 -6.753 -11.046 1.00 50.54 C ATOM 353 CE1 TYR A 22 5.492 -8.119 -11.126 1.00 63.04 C ATOM 354 CE2 TYR A 22 7.885 -8.133 -11.088 1.00 61.31 C ATOM 355 CZ TYR A 22 6.685 -8.812 -11.128 1.00 11.12 C ATOM 356 OH TYR A 22 6.678 -10.187 -11.168 1.00 32.41 O ATOM 0 H TYR A 22 7.018 -2.035 -11.604 1.00 25.11 H new ATOM 0 HA TYR A 22 6.600 -4.500 -13.148 1.00 3.24 H new ATOM 0 HB2 TYR A 22 7.711 -4.179 -10.740 1.00 35.03 H new ATOM 0 HB3 TYR A 22 6.041 -4.184 -10.208 1.00 35.03 H new ATOM 0 HD1 TYR A 22 4.569 -6.199 -11.086 1.00 72.20 H new ATOM 0 HD2 TYR A 22 8.830 -6.225 -11.013 1.00 50.54 H new ATOM 0 HE1 TYR A 22 4.554 -8.653 -11.156 1.00 63.04 H new ATOM 0 HE2 TYR A 22 8.817 -8.678 -11.090 1.00 61.31 H new ATOM 0 HH TYR A 22 5.787 -10.502 -11.429 1.00 32.41 H new ATOM 366 N ASN A 23 4.108 -4.704 -12.972 1.00 64.43 N ATOM 367 CA ASN A 23 2.654 -4.690 -13.086 1.00 65.22 C ATOM 368 C ASN A 23 2.046 -5.928 -12.434 1.00 53.20 C ATOM 369 O ASN A 23 2.407 -7.057 -12.765 1.00 0.51 O ATOM 370 CB ASN A 23 2.238 -4.618 -14.557 1.00 0.23 C ATOM 371 CG ASN A 23 3.430 -4.564 -15.493 1.00 74.21 C ATOM 372 OD1 ASN A 23 3.762 -5.551 -16.150 1.00 54.23 O ATOM 373 ND2 ASN A 23 4.080 -3.408 -15.558 1.00 14.04 N ATOM 0 H ASN A 23 4.556 -5.518 -13.393 1.00 64.43 H new ATOM 0 HA ASN A 23 2.282 -3.807 -12.566 1.00 65.22 H new ATOM 0 HB2 ASN A 23 1.626 -5.486 -14.802 1.00 0.23 H new ATOM 0 HB3 ASN A 23 1.617 -3.736 -14.713 1.00 0.23 H new ATOM 0 HD21 ASN A 23 4.890 -3.312 -16.171 1.00 14.04 H new ATOM 0 HD22 ASN A 23 3.769 -2.616 -14.995 1.00 14.04 H new ATOM 380 N GLU A 24 1.120 -5.706 -11.506 1.00 74.33 N ATOM 381 CA GLU A 24 0.461 -6.804 -10.808 1.00 0.10 C ATOM 382 C GLU A 24 -0.613 -7.441 -11.686 1.00 4.04 C ATOM 383 O GLU A 24 -0.852 -8.646 -11.614 1.00 51.21 O ATOM 384 CB GLU A 24 -0.162 -6.306 -9.502 1.00 25.32 C ATOM 385 CG GLU A 24 -1.306 -7.173 -9.004 1.00 51.12 C ATOM 386 CD GLU A 24 -0.902 -8.622 -8.818 1.00 31.52 C ATOM 387 OE1 GLU A 24 0.182 -8.867 -8.247 1.00 53.12 O ATOM 388 OE2 GLU A 24 -1.669 -9.512 -9.242 1.00 44.03 O ATOM 0 H GLU A 24 0.810 -4.777 -11.221 1.00 74.33 H new ATOM 0 HA GLU A 24 1.213 -7.559 -10.579 1.00 0.10 H new ATOM 0 HB2 GLU A 24 0.611 -6.262 -8.734 1.00 25.32 H new ATOM 0 HB3 GLU A 24 -0.525 -5.289 -9.647 1.00 25.32 H new ATOM 0 HG2 GLU A 24 -1.671 -6.777 -8.056 1.00 51.12 H new ATOM 0 HG3 GLU A 24 -2.133 -7.118 -9.712 1.00 51.12 H new ATOM 395 N GLU A 25 -1.256 -6.622 -12.512 1.00 63.11 N ATOM 396 CA GLU A 25 -2.305 -7.105 -13.402 1.00 64.43 C ATOM 397 C GLU A 25 -1.882 -8.402 -14.088 1.00 0.41 C ATOM 398 O GLU A 25 -2.707 -9.279 -14.343 1.00 42.11 O ATOM 399 CB GLU A 25 -2.641 -6.046 -14.454 1.00 5.44 C ATOM 400 CG GLU A 25 -3.581 -4.964 -13.949 1.00 21.12 C ATOM 401 CD GLU A 25 -3.589 -3.736 -14.839 1.00 32.34 C ATOM 402 OE1 GLU A 25 -2.846 -3.725 -15.842 1.00 1.12 O ATOM 403 OE2 GLU A 25 -4.340 -2.787 -14.531 1.00 40.32 O ATOM 0 H GLU A 25 -1.069 -5.622 -12.583 1.00 63.11 H new ATOM 0 HA GLU A 25 -3.192 -7.304 -12.801 1.00 64.43 H new ATOM 0 HB2 GLU A 25 -1.717 -5.581 -14.798 1.00 5.44 H new ATOM 0 HB3 GLU A 25 -3.093 -6.534 -15.318 1.00 5.44 H new ATOM 0 HG2 GLU A 25 -4.592 -5.367 -13.884 1.00 21.12 H new ATOM 0 HG3 GLU A 25 -3.287 -4.675 -12.940 1.00 21.12 H new ATOM 410 N SER A 26 -0.591 -8.514 -14.384 1.00 10.12 N ATOM 411 CA SER A 26 -0.058 -9.700 -15.044 1.00 34.13 C ATOM 412 C SER A 26 1.066 -10.321 -14.221 1.00 1.05 C ATOM 413 O SER A 26 1.534 -11.420 -14.517 1.00 14.34 O ATOM 414 CB SER A 26 0.453 -9.346 -16.441 1.00 40.24 C ATOM 415 OG SER A 26 1.854 -9.134 -16.433 1.00 41.21 O ATOM 0 H SER A 26 0.105 -7.798 -14.177 1.00 10.12 H new ATOM 0 HA SER A 26 -0.864 -10.428 -15.134 1.00 34.13 H new ATOM 0 HB2 SER A 26 0.208 -10.149 -17.136 1.00 40.24 H new ATOM 0 HB3 SER A 26 -0.052 -8.449 -16.800 1.00 40.24 H new ATOM 0 HG SER A 26 2.156 -8.911 -17.338 1.00 41.21 H new ATOM 421 N GLY A 27 1.496 -9.607 -13.184 1.00 60.41 N ATOM 422 CA GLY A 27 2.562 -10.103 -12.333 1.00 62.04 C ATOM 423 C GLY A 27 3.903 -10.130 -13.040 1.00 51.42 C ATOM 424 O GLY A 27 4.771 -10.938 -12.711 1.00 62.11 O ATOM 0 H GLY A 27 1.125 -8.695 -12.919 1.00 60.41 H new ATOM 0 HA2 GLY A 27 2.636 -9.475 -11.445 1.00 62.04 H new ATOM 0 HA3 GLY A 27 2.314 -11.108 -11.993 1.00 62.04 H new ATOM 428 N LYS A 28 4.073 -9.244 -14.016 1.00 60.22 N ATOM 429 CA LYS A 28 5.317 -9.168 -14.773 1.00 21.42 C ATOM 430 C LYS A 28 5.843 -7.737 -14.813 1.00 61.21 C ATOM 431 O LYS A 28 5.172 -6.806 -14.368 1.00 1.51 O ATOM 432 CB LYS A 28 5.104 -9.685 -16.197 1.00 51.15 C ATOM 433 CG LYS A 28 4.272 -10.954 -16.266 1.00 55.43 C ATOM 434 CD LYS A 28 4.980 -12.122 -15.602 1.00 11.05 C ATOM 435 CE LYS A 28 4.579 -13.448 -16.230 1.00 51.42 C ATOM 436 NZ LYS A 28 4.144 -14.438 -15.207 1.00 24.14 N ATOM 0 H LYS A 28 3.364 -8.568 -14.301 1.00 60.22 H new ATOM 0 HA LYS A 28 6.056 -9.794 -14.273 1.00 21.42 H new ATOM 0 HB2 LYS A 28 4.617 -8.909 -16.787 1.00 51.15 H new ATOM 0 HB3 LYS A 28 6.075 -9.872 -16.656 1.00 51.15 H new ATOM 0 HG2 LYS A 28 3.311 -10.787 -15.780 1.00 55.43 H new ATOM 0 HG3 LYS A 28 4.065 -11.198 -17.308 1.00 55.43 H new ATOM 0 HD2 LYS A 28 6.059 -11.990 -15.686 1.00 11.05 H new ATOM 0 HD3 LYS A 28 4.742 -12.136 -14.538 1.00 11.05 H new ATOM 0 HE2 LYS A 28 3.770 -13.283 -16.942 1.00 51.42 H new ATOM 0 HE3 LYS A 28 5.421 -13.853 -16.792 1.00 51.42 H new ATOM 0 HZ1 LYS A 28 3.879 -15.328 -15.676 1.00 24.14 H new ATOM 0 HZ2 LYS A 28 4.924 -14.616 -14.542 1.00 24.14 H new ATOM 0 HZ3 LYS A 28 3.325 -14.063 -14.688 1.00 24.14 H new ATOM 450 N CYS A 29 7.047 -7.569 -15.350 1.00 53.15 N ATOM 451 CA CYS A 29 7.663 -6.251 -15.450 1.00 73.33 C ATOM 452 C CYS A 29 7.855 -5.850 -16.910 1.00 13.21 C ATOM 453 O CYS A 29 8.060 -6.700 -17.775 1.00 50.14 O ATOM 454 CB CYS A 29 9.010 -6.239 -14.725 1.00 13.20 C ATOM 455 SG CYS A 29 9.767 -4.587 -14.592 1.00 22.42 S ATOM 0 H CYS A 29 7.616 -8.329 -15.723 1.00 53.15 H new ATOM 0 HA CYS A 29 6.997 -5.529 -14.978 1.00 73.33 H new ATOM 0 HB2 CYS A 29 8.875 -6.647 -13.723 1.00 13.20 H new ATOM 0 HB3 CYS A 29 9.699 -6.902 -15.249 1.00 13.20 H new ATOM 460 N GLU A 30 7.787 -4.549 -17.174 1.00 14.41 N ATOM 461 CA GLU A 30 7.952 -4.035 -18.529 1.00 24.05 C ATOM 462 C GLU A 30 8.318 -2.554 -18.508 1.00 13.53 C ATOM 463 O GLU A 30 8.513 -1.965 -17.444 1.00 3.31 O ATOM 464 CB GLU A 30 6.671 -4.244 -19.338 1.00 33.24 C ATOM 465 CG GLU A 30 5.406 -3.875 -18.581 1.00 0.14 C ATOM 466 CD GLU A 30 4.200 -3.740 -19.490 1.00 42.31 C ATOM 467 OE1 GLU A 30 4.325 -3.086 -20.547 1.00 3.53 O ATOM 468 OE2 GLU A 30 3.132 -4.287 -19.146 1.00 23.42 O ATOM 0 H GLU A 30 7.619 -3.832 -16.468 1.00 14.41 H new ATOM 0 HA GLU A 30 8.765 -4.586 -19.002 1.00 24.05 H new ATOM 0 HB2 GLU A 30 6.726 -3.649 -20.249 1.00 33.24 H new ATOM 0 HB3 GLU A 30 6.610 -5.289 -19.643 1.00 33.24 H new ATOM 0 HG2 GLU A 30 5.204 -4.635 -17.826 1.00 0.14 H new ATOM 0 HG3 GLU A 30 5.565 -2.935 -18.052 1.00 0.14 H new ATOM 475 N THR A 31 8.409 -1.956 -19.692 1.00 12.22 N ATOM 476 CA THR A 31 8.752 -0.544 -19.811 1.00 61.40 C ATOM 477 C THR A 31 7.707 0.209 -20.626 1.00 61.32 C ATOM 478 O THR A 31 6.958 -0.390 -21.399 1.00 2.14 O ATOM 479 CB THR A 31 10.133 -0.356 -20.468 1.00 13.44 C ATOM 480 OG1 THR A 31 9.976 -0.054 -21.859 1.00 25.03 O ATOM 481 CG2 THR A 31 10.984 -1.606 -20.307 1.00 71.10 C ATOM 0 H THR A 31 8.250 -2.428 -20.582 1.00 12.22 H new ATOM 0 HA THR A 31 8.780 -0.139 -18.800 1.00 61.40 H new ATOM 0 HB THR A 31 10.638 0.473 -19.972 1.00 13.44 H new ATOM 0 HG1 THR A 31 10.020 0.916 -21.990 1.00 25.03 H new ATOM 0 HG21 THR A 31 11.954 -1.449 -20.779 1.00 71.10 H new ATOM 0 HG22 THR A 31 11.126 -1.816 -19.247 1.00 71.10 H new ATOM 0 HG23 THR A 31 10.483 -2.451 -20.780 1.00 71.10 H new ATOM 489 N PHE A 32 7.662 1.525 -20.450 1.00 50.10 N ATOM 490 CA PHE A 32 6.708 2.360 -21.170 1.00 13.42 C ATOM 491 C PHE A 32 7.298 3.738 -21.456 1.00 2.14 C ATOM 492 O PHE A 32 8.174 4.212 -20.732 1.00 24.24 O ATOM 493 CB PHE A 32 5.415 2.504 -20.364 1.00 53.45 C ATOM 494 CG PHE A 32 5.305 1.530 -19.227 1.00 22.30 C ATOM 495 CD1 PHE A 32 5.911 1.795 -18.009 1.00 71.13 C ATOM 496 CD2 PHE A 32 4.596 0.348 -19.375 1.00 44.51 C ATOM 497 CE1 PHE A 32 5.812 0.899 -16.961 1.00 44.24 C ATOM 498 CE2 PHE A 32 4.494 -0.551 -18.331 1.00 10.15 C ATOM 499 CZ PHE A 32 5.102 -0.274 -17.122 1.00 20.53 C ATOM 0 H PHE A 32 8.275 2.036 -19.815 1.00 50.10 H new ATOM 0 HA PHE A 32 6.484 1.876 -22.121 1.00 13.42 H new ATOM 0 HB2 PHE A 32 5.353 3.518 -19.970 1.00 53.45 H new ATOM 0 HB3 PHE A 32 4.564 2.369 -21.031 1.00 53.45 H new ATOM 0 HD1 PHE A 32 6.467 2.712 -17.877 1.00 71.13 H new ATOM 0 HD2 PHE A 32 4.118 0.127 -20.318 1.00 44.51 H new ATOM 0 HE1 PHE A 32 6.290 1.116 -16.017 1.00 44.24 H new ATOM 0 HE2 PHE A 32 3.940 -1.469 -18.460 1.00 10.15 H new ATOM 0 HZ PHE A 32 5.022 -0.974 -16.304 1.00 20.53 H new ATOM 509 N ILE A 33 6.812 4.375 -22.516 1.00 3.04 N ATOM 510 CA ILE A 33 7.291 5.698 -22.897 1.00 70.11 C ATOM 511 C ILE A 33 6.581 6.789 -22.103 1.00 44.40 C ATOM 512 O ILE A 33 5.353 6.809 -22.016 1.00 5.35 O ATOM 513 CB ILE A 33 7.087 5.958 -24.401 1.00 42.23 C ATOM 514 CG1 ILE A 33 7.691 4.818 -25.225 1.00 14.53 C ATOM 515 CG2 ILE A 33 7.706 7.290 -24.797 1.00 5.30 C ATOM 516 CD1 ILE A 33 6.656 3.965 -25.924 1.00 20.41 C ATOM 0 H ILE A 33 6.087 3.997 -23.126 1.00 3.04 H new ATOM 0 HA ILE A 33 8.357 5.725 -22.673 1.00 70.11 H new ATOM 0 HB ILE A 33 6.017 6.001 -24.605 1.00 42.23 H new ATOM 0 HG12 ILE A 33 8.368 5.237 -25.970 1.00 14.53 H new ATOM 0 HG13 ILE A 33 8.290 4.185 -24.570 1.00 14.53 H new ATOM 0 HG21 ILE A 33 7.554 7.459 -25.863 1.00 5.30 H new ATOM 0 HG22 ILE A 33 7.234 8.093 -24.231 1.00 5.30 H new ATOM 0 HG23 ILE A 33 8.774 7.273 -24.581 1.00 5.30 H new ATOM 0 HD11 ILE A 33 7.155 3.177 -26.489 1.00 20.41 H new ATOM 0 HD12 ILE A 33 5.994 3.517 -25.183 1.00 20.41 H new ATOM 0 HD13 ILE A 33 6.072 4.585 -26.604 1.00 20.41 H new ATOM 528 N TYR A 34 7.362 7.697 -21.527 1.00 63.33 N ATOM 529 CA TYR A 34 6.809 8.792 -20.740 1.00 20.13 C ATOM 530 C TYR A 34 7.302 10.139 -21.258 1.00 42.32 C ATOM 531 O TYR A 34 8.433 10.261 -21.727 1.00 22.12 O ATOM 532 CB TYR A 34 7.187 8.630 -19.266 1.00 45.44 C ATOM 533 CG TYR A 34 7.290 9.941 -18.520 1.00 41.43 C ATOM 534 CD1 TYR A 34 6.151 10.661 -18.180 1.00 44.25 C ATOM 535 CD2 TYR A 34 8.526 10.460 -18.154 1.00 63.23 C ATOM 536 CE1 TYR A 34 6.241 11.860 -17.500 1.00 32.24 C ATOM 537 CE2 TYR A 34 8.625 11.657 -17.472 1.00 21.01 C ATOM 538 CZ TYR A 34 7.480 12.353 -17.147 1.00 54.43 C ATOM 539 OH TYR A 34 7.573 13.546 -16.468 1.00 12.33 O ATOM 0 H TYR A 34 8.380 7.696 -21.591 1.00 63.33 H new ATOM 0 HA TYR A 34 5.724 8.762 -20.836 1.00 20.13 H new ATOM 0 HB2 TYR A 34 6.444 8.000 -18.776 1.00 45.44 H new ATOM 0 HB3 TYR A 34 8.141 8.108 -19.200 1.00 45.44 H new ATOM 0 HD1 TYR A 34 5.179 10.277 -18.452 1.00 44.25 H new ATOM 0 HD2 TYR A 34 9.425 9.918 -18.407 1.00 63.23 H new ATOM 0 HE1 TYR A 34 5.346 12.409 -17.246 1.00 32.24 H new ATOM 0 HE2 TYR A 34 9.594 12.046 -17.195 1.00 21.01 H new ATOM 0 HH TYR A 34 6.939 14.189 -16.849 1.00 12.33 H new ATOM 549 N GLY A 35 6.443 11.151 -21.170 1.00 24.44 N ATOM 550 CA GLY A 35 6.809 12.477 -21.633 1.00 34.44 C ATOM 551 C GLY A 35 5.902 13.556 -21.075 1.00 31.34 C ATOM 552 O GLY A 35 4.693 13.361 -20.957 1.00 20.35 O ATOM 0 H GLY A 35 5.501 11.076 -20.786 1.00 24.44 H new ATOM 0 HA2 GLY A 35 7.839 12.688 -21.345 1.00 34.44 H new ATOM 0 HA3 GLY A 35 6.771 12.502 -22.722 1.00 34.44 H new ATOM 556 N GLY A 36 6.488 14.698 -20.729 1.00 15.34 N ATOM 557 CA GLY A 36 5.710 15.795 -20.182 1.00 74.22 C ATOM 558 C GLY A 36 4.946 15.399 -18.934 1.00 24.41 C ATOM 559 O GLY A 36 5.507 15.367 -17.838 1.00 62.14 O ATOM 0 H GLY A 36 7.487 14.883 -20.818 1.00 15.34 H new ATOM 0 HA2 GLY A 36 6.375 16.627 -19.949 1.00 74.22 H new ATOM 0 HA3 GLY A 36 5.008 16.150 -20.937 1.00 74.22 H new ATOM 563 N VAL A 37 3.662 15.097 -19.098 1.00 2.01 N ATOM 564 CA VAL A 37 2.820 14.702 -17.975 1.00 63.31 C ATOM 565 C VAL A 37 3.022 13.231 -17.628 1.00 72.23 C ATOM 566 O VAL A 37 3.090 12.378 -18.512 1.00 31.51 O ATOM 567 CB VAL A 37 1.330 14.947 -18.277 1.00 41.12 C ATOM 568 CG1 VAL A 37 0.495 14.779 -17.017 1.00 72.42 C ATOM 569 CG2 VAL A 37 1.130 16.330 -18.879 1.00 34.13 C ATOM 0 H VAL A 37 3.182 15.118 -19.998 1.00 2.01 H new ATOM 0 HA VAL A 37 3.116 15.317 -17.125 1.00 63.31 H new ATOM 0 HB VAL A 37 0.998 14.207 -19.005 1.00 41.12 H new ATOM 0 HG11 VAL A 37 -0.555 14.956 -17.250 1.00 72.42 H new ATOM 0 HG12 VAL A 37 0.616 13.766 -16.633 1.00 72.42 H new ATOM 0 HG13 VAL A 37 0.825 15.494 -16.264 1.00 72.42 H new ATOM 0 HG21 VAL A 37 0.071 16.487 -19.086 1.00 34.13 H new ATOM 0 HG22 VAL A 37 1.478 17.087 -18.176 1.00 34.13 H new ATOM 0 HG23 VAL A 37 1.697 16.409 -19.807 1.00 34.13 H new ATOM 579 N GLY A 38 3.116 12.941 -16.334 1.00 61.11 N ATOM 580 CA GLY A 38 3.308 11.572 -15.893 1.00 24.14 C ATOM 581 C GLY A 38 2.010 10.909 -15.476 1.00 4.31 C ATOM 582 O GLY A 38 1.337 11.372 -14.556 1.00 74.53 O ATOM 0 H GLY A 38 3.063 13.630 -15.583 1.00 61.11 H new ATOM 0 HA2 GLY A 38 3.765 10.995 -16.697 1.00 24.14 H new ATOM 0 HA3 GLY A 38 4.005 11.558 -15.055 1.00 24.14 H new ATOM 586 N GLY A 39 1.657 9.823 -16.156 1.00 23.50 N ATOM 587 CA GLY A 39 0.431 9.114 -15.838 1.00 5.02 C ATOM 588 C GLY A 39 0.653 7.989 -14.846 1.00 14.31 C ATOM 589 O GLY A 39 1.684 7.320 -14.877 1.00 30.51 O ATOM 0 H GLY A 39 2.198 9.421 -16.922 1.00 23.50 H new ATOM 0 HA2 GLY A 39 -0.296 9.816 -15.430 1.00 5.02 H new ATOM 0 HA3 GLY A 39 0.002 8.707 -16.754 1.00 5.02 H new ATOM 593 N ASN A 40 -0.318 7.783 -13.962 1.00 32.50 N ATOM 594 CA ASN A 40 -0.224 6.732 -12.954 1.00 45.35 C ATOM 595 C ASN A 40 1.102 6.816 -12.204 1.00 63.04 C ATOM 596 O ASN A 40 1.835 7.798 -12.326 1.00 21.42 O ATOM 597 CB ASN A 40 -0.367 5.356 -13.607 1.00 50.04 C ATOM 598 CG ASN A 40 -0.844 5.445 -15.044 1.00 60.42 C ATOM 599 OD1 ASN A 40 -0.088 5.176 -15.978 1.00 54.44 O ATOM 600 ND2 ASN A 40 -2.104 5.823 -15.227 1.00 22.20 N ATOM 0 H ASN A 40 -1.178 8.329 -13.923 1.00 32.50 H new ATOM 0 HA ASN A 40 -1.035 6.874 -12.240 1.00 45.35 H new ATOM 0 HB2 ASN A 40 0.593 4.841 -13.577 1.00 50.04 H new ATOM 0 HB3 ASN A 40 -1.070 4.754 -13.030 1.00 50.04 H new ATOM 0 HD21 ASN A 40 -2.481 5.900 -16.172 1.00 22.20 H new ATOM 0 HD22 ASN A 40 -2.694 6.036 -14.423 1.00 22.20 H new ATOM 607 N SER A 41 1.404 5.779 -11.429 1.00 40.05 N ATOM 608 CA SER A 41 2.640 5.736 -10.657 1.00 0.21 C ATOM 609 C SER A 41 3.515 4.565 -11.096 1.00 15.45 C ATOM 610 O SER A 41 4.435 4.164 -10.385 1.00 60.10 O ATOM 611 CB SER A 41 2.329 5.624 -9.163 1.00 60.42 C ATOM 612 OG SER A 41 3.386 6.152 -8.381 1.00 13.40 O ATOM 0 H SER A 41 0.809 4.957 -11.319 1.00 40.05 H new ATOM 0 HA SER A 41 3.186 6.662 -10.839 1.00 0.21 H new ATOM 0 HB2 SER A 41 1.405 6.158 -8.940 1.00 60.42 H new ATOM 0 HB3 SER A 41 2.165 4.579 -8.900 1.00 60.42 H new ATOM 0 HG SER A 41 4.232 5.739 -8.653 1.00 13.40 H new ATOM 618 N ASN A 42 3.219 4.022 -12.272 1.00 13.31 N ATOM 619 CA ASN A 42 3.977 2.897 -12.807 1.00 32.15 C ATOM 620 C ASN A 42 5.117 3.383 -13.697 1.00 34.32 C ATOM 621 O ASN A 42 5.420 2.774 -14.722 1.00 32.43 O ATOM 622 CB ASN A 42 3.057 1.966 -13.599 1.00 31.10 C ATOM 623 CG ASN A 42 3.258 0.507 -13.235 1.00 43.45 C ATOM 624 OD1 ASN A 42 3.753 -0.282 -14.040 1.00 52.15 O ATOM 625 ND2 ASN A 42 2.874 0.143 -12.018 1.00 5.05 N ATOM 0 H ASN A 42 2.460 4.343 -12.873 1.00 13.31 H new ATOM 0 HA ASN A 42 4.404 2.347 -11.968 1.00 32.15 H new ATOM 0 HB2 ASN A 42 2.019 2.244 -13.416 1.00 31.10 H new ATOM 0 HB3 ASN A 42 3.240 2.100 -14.665 1.00 31.10 H new ATOM 0 HD21 ASN A 42 2.984 -0.825 -11.717 1.00 5.05 H new ATOM 0 HD22 ASN A 42 2.468 0.831 -11.384 1.00 5.05 H new ATOM 632 N ASN A 43 5.745 4.484 -13.297 1.00 35.31 N ATOM 633 CA ASN A 43 6.851 5.052 -14.058 1.00 62.32 C ATOM 634 C ASN A 43 8.070 5.268 -13.167 1.00 3.12 C ATOM 635 O ASN A 43 7.979 5.900 -12.114 1.00 52.12 O ATOM 636 CB ASN A 43 6.431 6.377 -14.697 1.00 71.11 C ATOM 637 CG ASN A 43 6.083 6.226 -16.165 1.00 53.23 C ATOM 638 OD1 ASN A 43 6.946 5.934 -16.993 1.00 3.13 O ATOM 639 ND2 ASN A 43 4.812 6.426 -16.495 1.00 71.43 N ATOM 0 H ASN A 43 5.507 5.000 -12.450 1.00 35.31 H new ATOM 0 HA ASN A 43 7.118 4.346 -14.844 1.00 62.32 H new ATOM 0 HB2 ASN A 43 5.571 6.779 -14.162 1.00 71.11 H new ATOM 0 HB3 ASN A 43 7.239 7.101 -14.590 1.00 71.11 H new ATOM 0 HD21 ASN A 43 4.518 6.339 -17.468 1.00 71.43 H new ATOM 0 HD22 ASN A 43 4.130 6.666 -15.776 1.00 71.43 H new ATOM 646 N PHE A 44 9.212 4.739 -13.596 1.00 15.51 N ATOM 647 CA PHE A 44 10.449 4.874 -12.837 1.00 45.11 C ATOM 648 C PHE A 44 11.665 4.703 -13.744 1.00 33.31 C ATOM 649 O PHE A 44 11.726 3.773 -14.549 1.00 64.24 O ATOM 650 CB PHE A 44 10.494 3.845 -11.706 1.00 33.40 C ATOM 651 CG PHE A 44 10.675 4.456 -10.346 1.00 65.30 C ATOM 652 CD1 PHE A 44 11.609 5.459 -10.142 1.00 21.22 C ATOM 653 CD2 PHE A 44 9.913 4.027 -9.272 1.00 31.53 C ATOM 654 CE1 PHE A 44 11.779 6.024 -8.892 1.00 33.54 C ATOM 655 CE2 PHE A 44 10.078 4.588 -8.019 1.00 74.25 C ATOM 656 CZ PHE A 44 11.012 5.587 -7.829 1.00 25.41 C ATOM 0 H PHE A 44 9.306 4.213 -14.465 1.00 15.51 H new ATOM 0 HA PHE A 44 10.475 5.876 -12.408 1.00 45.11 H new ATOM 0 HB2 PHE A 44 9.570 3.266 -11.715 1.00 33.40 H new ATOM 0 HB3 PHE A 44 11.310 3.147 -11.893 1.00 33.40 H new ATOM 0 HD1 PHE A 44 12.211 5.803 -10.970 1.00 21.22 H new ATOM 0 HD2 PHE A 44 9.182 3.245 -9.415 1.00 31.53 H new ATOM 0 HE1 PHE A 44 12.510 6.806 -8.746 1.00 33.54 H new ATOM 0 HE2 PHE A 44 9.477 4.245 -7.190 1.00 74.25 H new ATOM 0 HZ PHE A 44 11.143 6.026 -6.851 1.00 25.41 H new ATOM 666 N LEU A 45 12.629 5.606 -13.607 1.00 61.14 N ATOM 667 CA LEU A 45 13.844 5.556 -14.414 1.00 55.31 C ATOM 668 C LEU A 45 14.771 4.444 -13.935 1.00 34.03 C ATOM 669 O LEU A 45 15.873 4.272 -14.455 1.00 63.34 O ATOM 670 CB LEU A 45 14.571 6.901 -14.360 1.00 31.14 C ATOM 671 CG LEU A 45 13.838 8.086 -14.989 1.00 2.31 C ATOM 672 CD1 LEU A 45 12.883 8.716 -13.987 1.00 52.23 C ATOM 673 CD2 LEU A 45 14.833 9.118 -15.501 1.00 23.42 C ATOM 0 H LEU A 45 12.594 6.381 -12.945 1.00 61.14 H new ATOM 0 HA LEU A 45 13.558 5.346 -15.445 1.00 55.31 H new ATOM 0 HB2 LEU A 45 14.776 7.139 -13.316 1.00 31.14 H new ATOM 0 HB3 LEU A 45 15.535 6.791 -14.857 1.00 31.14 H new ATOM 0 HG LEU A 45 13.256 7.721 -15.835 1.00 2.31 H new ATOM 0 HD11 LEU A 45 12.370 9.558 -14.453 1.00 52.23 H new ATOM 0 HD12 LEU A 45 12.149 7.975 -13.668 1.00 52.23 H new ATOM 0 HD13 LEU A 45 13.444 9.067 -13.121 1.00 52.23 H new ATOM 0 HD21 LEU A 45 14.293 9.954 -15.945 1.00 23.42 H new ATOM 0 HD22 LEU A 45 15.442 9.479 -14.672 1.00 23.42 H new ATOM 0 HD23 LEU A 45 15.477 8.661 -16.253 1.00 23.42 H new ATOM 685 N THR A 46 14.315 3.689 -12.940 1.00 24.32 N ATOM 686 CA THR A 46 15.103 2.592 -12.391 1.00 12.13 C ATOM 687 C THR A 46 14.651 1.252 -12.960 1.00 10.13 C ATOM 688 O THR A 46 13.488 1.081 -13.325 1.00 34.04 O ATOM 689 CB THR A 46 15.004 2.544 -10.854 1.00 41.02 C ATOM 690 OG1 THR A 46 13.679 2.891 -10.437 1.00 71.03 O ATOM 691 CG2 THR A 46 16.007 3.495 -10.218 1.00 33.44 C ATOM 0 H THR A 46 13.405 3.817 -12.498 1.00 24.32 H new ATOM 0 HA THR A 46 16.139 2.773 -12.676 1.00 12.13 H new ATOM 0 HB THR A 46 15.232 1.529 -10.528 1.00 41.02 H new ATOM 0 HG1 THR A 46 13.557 3.861 -10.510 1.00 71.03 H new ATOM 0 HG21 THR A 46 15.919 3.444 -9.133 1.00 33.44 H new ATOM 0 HG22 THR A 46 17.017 3.210 -10.514 1.00 33.44 H new ATOM 0 HG23 THR A 46 15.805 4.513 -10.551 1.00 33.44 H new ATOM 699 N LYS A 47 15.578 0.303 -13.033 1.00 32.23 N ATOM 700 CA LYS A 47 15.275 -1.024 -13.556 1.00 22.24 C ATOM 701 C LYS A 47 15.043 -2.016 -12.421 1.00 34.24 C ATOM 702 O LYS A 47 13.931 -2.510 -12.235 1.00 21.23 O ATOM 703 CB LYS A 47 16.416 -1.515 -14.450 1.00 51.32 C ATOM 704 CG LYS A 47 15.957 -2.420 -15.580 1.00 34.11 C ATOM 705 CD LYS A 47 16.152 -3.887 -15.234 1.00 0.34 C ATOM 706 CE LYS A 47 17.444 -4.431 -15.824 1.00 74.41 C ATOM 707 NZ LYS A 47 17.209 -5.139 -17.113 1.00 40.24 N ATOM 0 H LYS A 47 16.546 0.428 -12.736 1.00 32.23 H new ATOM 0 HA LYS A 47 14.362 -0.954 -14.147 1.00 22.24 H new ATOM 0 HB2 LYS A 47 16.932 -0.653 -14.873 1.00 51.32 H new ATOM 0 HB3 LYS A 47 17.141 -2.051 -13.838 1.00 51.32 H new ATOM 0 HG2 LYS A 47 14.905 -2.232 -15.793 1.00 34.11 H new ATOM 0 HG3 LYS A 47 16.513 -2.182 -16.487 1.00 34.11 H new ATOM 0 HD2 LYS A 47 16.166 -4.008 -14.151 1.00 0.34 H new ATOM 0 HD3 LYS A 47 15.308 -4.466 -15.608 1.00 0.34 H new ATOM 0 HE2 LYS A 47 18.145 -3.611 -15.982 1.00 74.41 H new ATOM 0 HE3 LYS A 47 17.908 -5.115 -15.113 1.00 74.41 H new ATOM 0 HZ1 LYS A 47 18.113 -5.495 -17.483 1.00 40.24 H new ATOM 0 HZ2 LYS A 47 16.560 -5.937 -16.958 1.00 40.24 H new ATOM 0 HZ3 LYS A 47 16.789 -4.480 -17.799 1.00 40.24 H new ATOM 721 N GLU A 48 16.098 -2.302 -11.664 1.00 40.53 N ATOM 722 CA GLU A 48 16.007 -3.234 -10.547 1.00 73.32 C ATOM 723 C GLU A 48 14.850 -2.865 -9.623 1.00 73.13 C ATOM 724 O GLU A 48 14.108 -3.733 -9.163 1.00 11.04 O ATOM 725 CB GLU A 48 17.318 -3.251 -9.759 1.00 1.51 C ATOM 726 CG GLU A 48 18.119 -4.530 -9.936 1.00 13.23 C ATOM 727 CD GLU A 48 18.938 -4.879 -8.709 1.00 22.43 C ATOM 728 OE1 GLU A 48 18.335 -5.108 -7.639 1.00 4.11 O ATOM 729 OE2 GLU A 48 20.181 -4.924 -8.818 1.00 22.23 O ATOM 0 H GLU A 48 17.025 -1.901 -11.804 1.00 40.53 H new ATOM 0 HA GLU A 48 15.823 -4.229 -10.952 1.00 73.32 H new ATOM 0 HB2 GLU A 48 17.929 -2.404 -10.069 1.00 1.51 H new ATOM 0 HB3 GLU A 48 17.097 -3.114 -8.700 1.00 1.51 H new ATOM 0 HG2 GLU A 48 17.439 -5.352 -10.160 1.00 13.23 H new ATOM 0 HG3 GLU A 48 18.783 -4.423 -10.793 1.00 13.23 H new ATOM 736 N ASP A 49 14.703 -1.572 -9.357 1.00 31.03 N ATOM 737 CA ASP A 49 13.637 -1.087 -8.488 1.00 54.44 C ATOM 738 C ASP A 49 12.299 -1.713 -8.869 1.00 33.04 C ATOM 739 O ASP A 49 11.441 -1.938 -8.014 1.00 40.20 O ATOM 740 CB ASP A 49 13.541 0.438 -8.566 1.00 74.14 C ATOM 741 CG ASP A 49 14.615 1.128 -7.749 1.00 15.22 C ATOM 742 OD1 ASP A 49 15.809 0.943 -8.062 1.00 31.22 O ATOM 743 OD2 ASP A 49 14.261 1.853 -6.795 1.00 53.43 O ATOM 0 H ASP A 49 15.308 -0.841 -9.730 1.00 31.03 H new ATOM 0 HA ASP A 49 13.875 -1.377 -7.465 1.00 54.44 H new ATOM 0 HB2 ASP A 49 13.623 0.752 -9.607 1.00 74.14 H new ATOM 0 HB3 ASP A 49 12.560 0.756 -8.213 1.00 74.14 H new ATOM 748 N CYS A 50 12.126 -1.992 -10.156 1.00 44.13 N ATOM 749 CA CYS A 50 10.893 -2.591 -10.651 1.00 52.22 C ATOM 750 C CYS A 50 10.423 -3.711 -9.727 1.00 64.25 C ATOM 751 O CYS A 50 9.313 -3.670 -9.198 1.00 14.34 O ATOM 752 CB CYS A 50 11.097 -3.134 -12.067 1.00 21.02 C ATOM 753 SG CYS A 50 9.733 -4.182 -12.665 1.00 74.40 S ATOM 0 H CYS A 50 12.826 -1.812 -10.876 1.00 44.13 H new ATOM 0 HA CYS A 50 10.126 -1.817 -10.674 1.00 52.22 H new ATOM 0 HB2 CYS A 50 11.223 -2.295 -12.752 1.00 21.02 H new ATOM 0 HB3 CYS A 50 12.022 -3.710 -12.094 1.00 21.02 H new ATOM 758 N CYS A 51 11.277 -4.712 -9.539 1.00 2.32 N ATOM 759 CA CYS A 51 10.952 -5.844 -8.680 1.00 13.20 C ATOM 760 C CYS A 51 10.691 -5.384 -7.249 1.00 4.55 C ATOM 761 O CYS A 51 9.813 -5.911 -6.566 1.00 52.21 O ATOM 762 CB CYS A 51 12.088 -6.869 -8.699 1.00 54.42 C ATOM 763 SG CYS A 51 11.784 -8.334 -7.661 1.00 62.41 S ATOM 0 H CYS A 51 12.200 -4.762 -9.971 1.00 2.32 H new ATOM 0 HA CYS A 51 10.045 -6.310 -9.064 1.00 13.20 H new ATOM 0 HB2 CYS A 51 12.254 -7.193 -9.726 1.00 54.42 H new ATOM 0 HB3 CYS A 51 13.006 -6.385 -8.366 1.00 54.42 H new ATOM 768 N ARG A 52 11.461 -4.397 -6.801 1.00 1.20 N ATOM 769 CA ARG A 52 11.315 -3.866 -5.451 1.00 53.01 C ATOM 770 C ARG A 52 9.902 -3.336 -5.226 1.00 12.34 C ATOM 771 O ARG A 52 9.334 -3.496 -4.146 1.00 1.43 O ATOM 772 CB ARG A 52 12.334 -2.752 -5.205 1.00 23.32 C ATOM 773 CG ARG A 52 13.013 -2.838 -3.848 1.00 4.53 C ATOM 774 CD ARG A 52 13.803 -4.129 -3.700 1.00 43.52 C ATOM 775 NE ARG A 52 15.235 -3.881 -3.555 1.00 2.41 N ATOM 776 CZ ARG A 52 16.162 -4.821 -3.698 1.00 62.20 C ATOM 777 NH1 ARG A 52 15.809 -6.066 -3.989 1.00 42.42 N ATOM 778 NH2 ARG A 52 17.445 -4.518 -3.550 1.00 44.44 N ATOM 0 H ARG A 52 12.192 -3.949 -7.353 1.00 1.20 H new ATOM 0 HA ARG A 52 11.497 -4.678 -4.746 1.00 53.01 H new ATOM 0 HB2 ARG A 52 13.094 -2.787 -5.985 1.00 23.32 H new ATOM 0 HB3 ARG A 52 11.834 -1.788 -5.291 1.00 23.32 H new ATOM 0 HG2 ARG A 52 13.680 -1.986 -3.719 1.00 4.53 H new ATOM 0 HG3 ARG A 52 12.262 -2.777 -3.060 1.00 4.53 H new ATOM 0 HD2 ARG A 52 13.440 -4.678 -2.831 1.00 43.52 H new ATOM 0 HD3 ARG A 52 13.631 -4.761 -4.571 1.00 43.52 H new ATOM 0 HE ARG A 52 15.540 -2.934 -3.332 1.00 2.41 H new ATOM 0 HH11 ARG A 52 14.824 -6.303 -4.103 1.00 42.42 H new ATOM 0 HH12 ARG A 52 16.523 -6.786 -4.098 1.00 42.42 H new ATOM 0 HH21 ARG A 52 17.721 -3.562 -3.326 1.00 44.44 H new ATOM 0 HH22 ARG A 52 18.156 -5.241 -3.660 1.00 44.44 H new ATOM 792 N GLU A 53 9.341 -2.704 -6.252 1.00 44.13 N ATOM 793 CA GLU A 53 7.996 -2.149 -6.165 1.00 33.23 C ATOM 794 C GLU A 53 6.997 -3.212 -5.716 1.00 61.52 C ATOM 795 O GLU A 53 6.002 -2.908 -5.058 1.00 3.25 O ATOM 796 CB GLU A 53 7.569 -1.571 -7.516 1.00 24.03 C ATOM 797 CG GLU A 53 7.628 -0.054 -7.574 1.00 43.13 C ATOM 798 CD GLU A 53 8.607 0.452 -8.616 1.00 51.21 C ATOM 799 OE1 GLU A 53 8.451 0.089 -9.801 1.00 4.20 O ATOM 800 OE2 GLU A 53 9.528 1.210 -8.247 1.00 52.52 O ATOM 0 H GLU A 53 9.798 -2.564 -7.153 1.00 44.13 H new ATOM 0 HA GLU A 53 8.008 -1.350 -5.424 1.00 33.23 H new ATOM 0 HB2 GLU A 53 8.210 -1.981 -8.296 1.00 24.03 H new ATOM 0 HB3 GLU A 53 6.552 -1.895 -7.736 1.00 24.03 H new ATOM 0 HG2 GLU A 53 6.634 0.336 -7.794 1.00 43.13 H new ATOM 0 HG3 GLU A 53 7.913 0.333 -6.595 1.00 43.13 H new ATOM 807 N CYS A 54 7.269 -4.462 -6.078 1.00 44.44 N ATOM 808 CA CYS A 54 6.396 -5.571 -5.716 1.00 21.14 C ATOM 809 C CYS A 54 7.081 -6.498 -4.715 1.00 42.14 C ATOM 810 O CYS A 54 6.448 -7.381 -4.138 1.00 23.22 O ATOM 811 CB CYS A 54 5.992 -6.359 -6.963 1.00 41.25 C ATOM 812 SG CYS A 54 4.212 -6.288 -7.344 1.00 11.34 S ATOM 0 H CYS A 54 8.088 -4.731 -6.622 1.00 44.44 H new ATOM 0 HA CYS A 54 5.501 -5.158 -5.250 1.00 21.14 H new ATOM 0 HB2 CYS A 54 6.551 -5.978 -7.818 1.00 41.25 H new ATOM 0 HB3 CYS A 54 6.283 -7.401 -6.831 1.00 41.25 H new ATOM 817 N ALA A 55 8.378 -6.289 -4.516 1.00 65.23 N ATOM 818 CA ALA A 55 9.149 -7.104 -3.585 1.00 1.41 C ATOM 819 C ALA A 55 8.663 -6.908 -2.153 1.00 31.42 C ATOM 820 O ALA A 55 8.998 -7.689 -1.263 1.00 21.33 O ATOM 821 CB ALA A 55 10.630 -6.769 -3.692 1.00 34.53 C ATOM 0 H ALA A 55 8.917 -5.562 -4.987 1.00 65.23 H new ATOM 0 HA ALA A 55 9.004 -8.151 -3.851 1.00 1.41 H new ATOM 0 HB1 ALA A 55 11.194 -7.385 -2.991 1.00 34.53 H new ATOM 0 HB2 ALA A 55 10.975 -6.966 -4.707 1.00 34.53 H new ATOM 0 HB3 ALA A 55 10.783 -5.716 -3.454 1.00 34.53 H new ATOM 827 N GLN A 56 7.872 -5.862 -1.939 1.00 2.23 N ATOM 828 CA GLN A 56 7.342 -5.564 -0.614 1.00 34.25 C ATOM 829 C GLN A 56 6.283 -6.585 -0.209 1.00 24.30 C ATOM 830 O GLN A 56 6.053 -6.819 0.977 1.00 52.43 O ATOM 831 CB GLN A 56 6.746 -4.156 -0.584 1.00 52.30 C ATOM 832 CG GLN A 56 7.672 -3.091 -1.149 1.00 63.21 C ATOM 833 CD GLN A 56 9.041 -3.103 -0.497 1.00 13.42 C ATOM 834 OE1 GLN A 56 9.849 -3.999 -0.739 1.00 62.21 O ATOM 835 NE2 GLN A 56 9.308 -2.104 0.336 1.00 10.15 N ATOM 0 H GLN A 56 7.584 -5.207 -2.666 1.00 2.23 H new ATOM 0 HA GLN A 56 8.165 -5.618 0.099 1.00 34.25 H new ATOM 0 HB2 GLN A 56 5.814 -4.153 -1.150 1.00 52.30 H new ATOM 0 HB3 GLN A 56 6.495 -3.899 0.445 1.00 52.30 H new ATOM 0 HG2 GLN A 56 7.784 -3.244 -2.222 1.00 63.21 H new ATOM 0 HG3 GLN A 56 7.217 -2.110 -1.013 1.00 63.21 H new ATOM 0 HE21 GLN A 56 8.608 -1.382 0.507 1.00 10.15 H new ATOM 0 HE22 GLN A 56 10.213 -2.059 0.804 1.00 10.15 H new ATOM 844 N GLY A 57 5.642 -7.192 -1.204 1.00 1.45 N ATOM 845 CA GLY A 57 4.615 -8.180 -0.931 1.00 24.34 C ATOM 846 C GLY A 57 4.261 -9.002 -2.154 1.00 45.34 C ATOM 847 O GLY A 57 3.085 -9.207 -2.454 1.00 22.15 O ATOM 0 H GLY A 57 5.816 -7.017 -2.194 1.00 1.45 H new ATOM 0 HA2 GLY A 57 4.956 -8.844 -0.137 1.00 24.34 H new ATOM 0 HA3 GLY A 57 3.720 -7.677 -0.564 1.00 24.34 H new ATOM 851 N SER A 58 5.282 -9.472 -2.865 1.00 53.41 N ATOM 852 CA SER A 58 5.072 -10.271 -4.067 1.00 3.41 C ATOM 853 C SER A 58 6.404 -10.740 -4.646 1.00 54.30 C ATOM 854 O SER A 58 6.734 -11.925 -4.594 1.00 12.24 O ATOM 855 CB SER A 58 4.304 -9.463 -5.114 1.00 52.14 C ATOM 856 OG SER A 58 3.456 -10.299 -5.882 1.00 70.42 O ATOM 0 H SER A 58 6.262 -9.313 -2.630 1.00 53.41 H new ATOM 0 HA SER A 58 4.485 -11.148 -3.793 1.00 3.41 H new ATOM 0 HB2 SER A 58 3.711 -8.693 -4.621 1.00 52.14 H new ATOM 0 HB3 SER A 58 5.007 -8.951 -5.771 1.00 52.14 H new ATOM 0 HG SER A 58 2.975 -9.758 -6.543 1.00 70.42 H new ATOM 862 N CYS A 59 7.165 -9.801 -5.199 1.00 33.13 N ATOM 863 CA CYS A 59 8.460 -10.116 -5.789 1.00 0.31 C ATOM 864 C CYS A 59 9.380 -10.772 -4.764 1.00 30.24 C ATOM 865 O CYS A 59 10.349 -11.441 -5.123 1.00 73.33 O ATOM 866 CB CYS A 59 9.115 -8.847 -6.339 1.00 73.24 C ATOM 867 SG CYS A 59 9.935 -9.073 -7.950 1.00 41.22 S ATOM 0 H CYS A 59 6.907 -8.816 -5.251 1.00 33.13 H new ATOM 0 HA CYS A 59 8.297 -10.818 -6.607 1.00 0.31 H new ATOM 0 HB2 CYS A 59 8.355 -8.071 -6.435 1.00 73.24 H new ATOM 0 HB3 CYS A 59 9.848 -8.487 -5.617 1.00 73.24 H new