USER MOD reduce.3.24.130724 H: found=0, std=0, add=514, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 514 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 60 GLN : amide:sc= -3.12 K(o=-4.3,f=0.79) USER MOD Set 1.2: A 61 LYS NZ :NH3+ -133:sc= -1.16 (180deg=0) USER MOD Single : A 5 TYR OH : rot 180:sc= 0 USER MOD Single : A 6 TYR OH : rot 147:sc= -2.13! USER MOD Single : A 12 SER OG : rot 180:sc= -0.0444 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 LYS NZ :NH3+ -152:sc= -0.16 (180deg=-1.31!) USER MOD Single : A 24 TYR OH : rot 180:sc= -0.586 USER MOD Single : A 25 LYS NZ :NH3+ -120:sc= 0 (180deg=-0.0394) USER MOD Single : A 29 MET CE :methyl -116:sc=-0.00101 (180deg=-0.0374) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 HIS : no HD1:sc= -9.99! C(o=-10!,f=-10!) USER MOD Single : A 36 ASN : amide:sc= -0.523 K(o=-0.52,f=-2.3) USER MOD Single : A 37 GLN : amide:sc= -0.172 X(o=-0.17,f=-0.028) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 LYS NZ :NH3+ -147:sc= -0.074 (180deg=-0.305) USER MOD Single : A 47 LYS NZ :NH3+ -160:sc= 0 (180deg=-0.364) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 TYR OH : rot 180:sc= -1.08 USER MOD Single : A 57 THR OG1 : rot -68:sc= 0.642 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 65 TYR OH : rot -140:sc= -5.79! USER MOD ----------------------------------------------------------------- ATOM 52 N ASP A 4 64.668 -7.111 3.069 1.00 0.00 N ATOM 53 CA ASP A 4 63.305 -6.549 3.323 1.00 0.00 C ATOM 54 C ASP A 4 63.240 -5.083 2.936 1.00 0.00 C ATOM 55 O ASP A 4 63.685 -4.211 3.653 1.00 0.00 O ATOM 56 CB ASP A 4 63.026 -6.711 4.828 1.00 0.00 C ATOM 57 CG ASP A 4 64.328 -6.942 5.607 1.00 0.00 C ATOM 58 OD1 ASP A 4 65.239 -6.146 5.451 1.00 0.00 O ATOM 59 OD2 ASP A 4 64.389 -7.913 6.344 1.00 0.00 O ATOM 0 HA ASP A 4 62.561 -7.074 2.724 1.00 0.00 H new ATOM 0 HB2 ASP A 4 62.525 -5.820 5.207 1.00 0.00 H new ATOM 0 HB3 ASP A 4 62.349 -7.550 4.988 1.00 0.00 H new ATOM 64 N TYR A 5 62.672 -4.817 1.804 1.00 0.00 N ATOM 65 CA TYR A 5 62.542 -3.404 1.340 1.00 0.00 C ATOM 66 C TYR A 5 62.067 -2.518 2.488 1.00 0.00 C ATOM 67 O TYR A 5 62.668 -1.502 2.781 1.00 0.00 O ATOM 68 CB TYR A 5 61.533 -3.384 0.184 1.00 0.00 C ATOM 69 CG TYR A 5 60.761 -4.671 0.106 1.00 0.00 C ATOM 70 CD1 TYR A 5 59.655 -4.876 0.928 1.00 0.00 C ATOM 71 CD2 TYR A 5 61.167 -5.656 -0.796 1.00 0.00 C ATOM 72 CE1 TYR A 5 58.941 -6.078 0.846 1.00 0.00 C ATOM 73 CE2 TYR A 5 60.458 -6.859 -0.881 1.00 0.00 C ATOM 74 CZ TYR A 5 59.342 -7.071 -0.060 1.00 0.00 C ATOM 75 OH TYR A 5 58.639 -8.255 -0.142 1.00 0.00 O ATOM 0 H TYR A 5 62.287 -5.517 1.170 1.00 0.00 H new ATOM 0 HA TYR A 5 63.504 -3.019 1.002 1.00 0.00 H new ATOM 0 HB2 TYR A 5 60.842 -2.551 0.317 1.00 0.00 H new ATOM 0 HB3 TYR A 5 62.058 -3.216 -0.756 1.00 0.00 H new ATOM 0 HD1 TYR A 5 59.349 -4.111 1.626 1.00 0.00 H new ATOM 0 HD2 TYR A 5 62.027 -5.490 -1.427 1.00 0.00 H new ATOM 0 HE1 TYR A 5 58.082 -6.240 1.480 1.00 0.00 H new ATOM 0 HE2 TYR A 5 60.770 -7.623 -1.578 1.00 0.00 H new ATOM 0 HH TYR A 5 59.049 -8.832 -0.820 1.00 0.00 H new ATOM 85 N TYR A 6 61.016 -2.891 3.161 1.00 0.00 N ATOM 86 CA TYR A 6 60.559 -2.055 4.300 1.00 0.00 C ATOM 87 C TYR A 6 61.763 -1.791 5.194 1.00 0.00 C ATOM 88 O TYR A 6 61.899 -0.741 5.788 1.00 0.00 O ATOM 89 CB TYR A 6 59.488 -2.875 5.004 1.00 0.00 C ATOM 90 CG TYR A 6 58.183 -2.700 4.264 1.00 0.00 C ATOM 91 CD1 TYR A 6 57.511 -1.473 4.314 1.00 0.00 C ATOM 92 CD2 TYR A 6 57.636 -3.768 3.546 1.00 0.00 C ATOM 93 CE1 TYR A 6 56.293 -1.314 3.647 1.00 0.00 C ATOM 94 CE2 TYR A 6 56.419 -3.609 2.875 1.00 0.00 C ATOM 95 CZ TYR A 6 55.746 -2.384 2.927 1.00 0.00 C ATOM 96 OH TYR A 6 54.542 -2.234 2.273 1.00 0.00 O ATOM 0 H TYR A 6 60.461 -3.727 2.975 1.00 0.00 H new ATOM 0 HA TYR A 6 60.149 -1.089 4.006 1.00 0.00 H new ATOM 0 HB2 TYR A 6 59.772 -3.927 5.027 1.00 0.00 H new ATOM 0 HB3 TYR A 6 59.382 -2.550 6.039 1.00 0.00 H new ATOM 0 HD1 TYR A 6 57.934 -0.648 4.868 1.00 0.00 H new ATOM 0 HD2 TYR A 6 58.153 -4.715 3.510 1.00 0.00 H new ATOM 0 HE1 TYR A 6 55.774 -0.368 3.687 1.00 0.00 H new ATOM 0 HE2 TYR A 6 55.999 -4.432 2.317 1.00 0.00 H new ATOM 0 HH TYR A 6 54.541 -2.780 1.459 1.00 0.00 H new ATOM 106 N GLU A 7 62.667 -2.727 5.245 1.00 0.00 N ATOM 107 CA GLU A 7 63.900 -2.525 6.042 1.00 0.00 C ATOM 108 C GLU A 7 64.951 -1.872 5.145 1.00 0.00 C ATOM 109 O GLU A 7 65.825 -1.165 5.605 1.00 0.00 O ATOM 110 CB GLU A 7 64.341 -3.923 6.477 1.00 0.00 C ATOM 111 CG GLU A 7 64.021 -4.115 7.961 1.00 0.00 C ATOM 112 CD GLU A 7 62.537 -3.831 8.204 1.00 0.00 C ATOM 113 OE1 GLU A 7 61.737 -4.196 7.358 1.00 0.00 O ATOM 114 OE2 GLU A 7 62.226 -3.251 9.231 1.00 0.00 O ATOM 0 H GLU A 7 62.602 -3.625 4.766 1.00 0.00 H new ATOM 0 HA GLU A 7 63.751 -1.882 6.909 1.00 0.00 H new ATOM 0 HB2 GLU A 7 63.830 -4.680 5.882 1.00 0.00 H new ATOM 0 HB3 GLU A 7 65.410 -4.050 6.304 1.00 0.00 H new ATOM 0 HG2 GLU A 7 64.262 -5.133 8.267 1.00 0.00 H new ATOM 0 HG3 GLU A 7 64.634 -3.446 8.566 1.00 0.00 H new ATOM 121 N ILE A 8 64.867 -2.104 3.855 1.00 0.00 N ATOM 122 CA ILE A 8 65.858 -1.493 2.930 1.00 0.00 C ATOM 123 C ILE A 8 65.908 0.015 3.163 1.00 0.00 C ATOM 124 O ILE A 8 66.963 0.618 3.211 1.00 0.00 O ATOM 125 CB ILE A 8 65.377 -1.791 1.516 1.00 0.00 C ATOM 126 CG1 ILE A 8 65.670 -3.263 1.191 1.00 0.00 C ATOM 127 CG2 ILE A 8 66.140 -0.903 0.532 1.00 0.00 C ATOM 128 CD1 ILE A 8 65.376 -3.540 -0.287 1.00 0.00 C ATOM 0 H ILE A 8 64.157 -2.687 3.411 1.00 0.00 H new ATOM 0 HA ILE A 8 66.858 -1.895 3.092 1.00 0.00 H new ATOM 0 HB ILE A 8 64.307 -1.597 1.438 1.00 0.00 H new ATOM 0 HG12 ILE A 8 66.712 -3.493 1.413 1.00 0.00 H new ATOM 0 HG13 ILE A 8 65.060 -3.912 1.820 1.00 0.00 H new ATOM 0 HG21 ILE A 8 65.801 -1.110 -0.483 1.00 0.00 H new ATOM 0 HG22 ILE A 8 65.956 0.145 0.769 1.00 0.00 H new ATOM 0 HG23 ILE A 8 67.208 -1.110 0.608 1.00 0.00 H new ATOM 0 HD11 ILE A 8 65.586 -4.586 -0.510 1.00 0.00 H new ATOM 0 HD12 ILE A 8 64.327 -3.328 -0.495 1.00 0.00 H new ATOM 0 HD13 ILE A 8 66.005 -2.903 -0.909 1.00 0.00 H new ATOM 140 N LEU A 9 64.763 0.622 3.322 1.00 0.00 N ATOM 141 CA LEU A 9 64.724 2.095 3.572 1.00 0.00 C ATOM 142 C LEU A 9 64.968 2.353 5.055 1.00 0.00 C ATOM 143 O LEU A 9 65.239 3.461 5.472 1.00 0.00 O ATOM 144 CB LEU A 9 63.312 2.537 3.192 1.00 0.00 C ATOM 145 CG LEU A 9 62.863 1.840 1.912 1.00 0.00 C ATOM 146 CD1 LEU A 9 61.696 0.902 2.226 1.00 0.00 C ATOM 147 CD2 LEU A 9 62.411 2.899 0.908 1.00 0.00 C ATOM 0 H LEU A 9 63.852 0.163 3.290 1.00 0.00 H new ATOM 0 HA LEU A 9 65.480 2.635 3.002 1.00 0.00 H new ATOM 0 HB2 LEU A 9 62.621 2.304 4.002 1.00 0.00 H new ATOM 0 HB3 LEU A 9 63.287 3.618 3.053 1.00 0.00 H new ATOM 0 HG LEU A 9 63.687 1.261 1.494 1.00 0.00 H new ATOM 0 HD11 LEU A 9 61.374 0.403 1.312 1.00 0.00 H new ATOM 0 HD12 LEU A 9 62.015 0.156 2.954 1.00 0.00 H new ATOM 0 HD13 LEU A 9 60.867 1.478 2.636 1.00 0.00 H new ATOM 0 HD21 LEU A 9 62.087 2.413 -0.012 1.00 0.00 H new ATOM 0 HD22 LEU A 9 61.582 3.469 1.328 1.00 0.00 H new ATOM 0 HD23 LEU A 9 63.241 3.572 0.691 1.00 0.00 H new ATOM 159 N GLY A 10 64.861 1.330 5.856 1.00 0.00 N ATOM 160 CA GLY A 10 65.068 1.499 7.314 1.00 0.00 C ATOM 161 C GLY A 10 63.703 1.601 7.990 1.00 0.00 C ATOM 162 O GLY A 10 63.583 2.090 9.096 1.00 0.00 O ATOM 0 H GLY A 10 64.638 0.380 5.558 1.00 0.00 H new ATOM 0 HA2 GLY A 10 65.628 0.655 7.717 1.00 0.00 H new ATOM 0 HA3 GLY A 10 65.656 2.395 7.511 1.00 0.00 H new ATOM 166 N VAL A 11 62.666 1.148 7.331 1.00 0.00 N ATOM 167 CA VAL A 11 61.308 1.229 7.947 1.00 0.00 C ATOM 168 C VAL A 11 60.830 -0.152 8.371 1.00 0.00 C ATOM 169 O VAL A 11 61.416 -1.161 8.031 1.00 0.00 O ATOM 170 CB VAL A 11 60.339 1.757 6.875 1.00 0.00 C ATOM 171 CG1 VAL A 11 59.717 3.063 7.348 1.00 0.00 C ATOM 172 CG2 VAL A 11 61.034 1.994 5.537 1.00 0.00 C ATOM 0 H VAL A 11 62.700 0.729 6.402 1.00 0.00 H new ATOM 0 HA VAL A 11 61.344 1.880 8.821 1.00 0.00 H new ATOM 0 HB VAL A 11 59.572 0.997 6.727 1.00 0.00 H new ATOM 0 HG11 VAL A 11 59.031 3.436 6.587 1.00 0.00 H new ATOM 0 HG12 VAL A 11 59.172 2.891 8.276 1.00 0.00 H new ATOM 0 HG13 VAL A 11 60.503 3.799 7.520 1.00 0.00 H new ATOM 0 HG21 VAL A 11 60.310 2.366 4.812 1.00 0.00 H new ATOM 0 HG22 VAL A 11 61.830 2.728 5.665 1.00 0.00 H new ATOM 0 HG23 VAL A 11 61.459 1.057 5.177 1.00 0.00 H new ATOM 182 N SER A 12 59.740 -0.199 9.077 1.00 0.00 N ATOM 183 CA SER A 12 59.183 -1.509 9.488 1.00 0.00 C ATOM 184 C SER A 12 58.270 -2.010 8.385 1.00 0.00 C ATOM 185 O SER A 12 57.691 -1.230 7.656 1.00 0.00 O ATOM 186 CB SER A 12 58.392 -1.234 10.767 1.00 0.00 C ATOM 187 OG SER A 12 59.074 -1.811 11.873 1.00 0.00 O ATOM 0 H SER A 12 59.211 0.616 9.387 1.00 0.00 H new ATOM 0 HA SER A 12 59.949 -2.265 9.661 1.00 0.00 H new ATOM 0 HB2 SER A 12 58.279 -0.160 10.915 1.00 0.00 H new ATOM 0 HB3 SER A 12 57.389 -1.652 10.685 1.00 0.00 H new ATOM 0 HG SER A 12 58.571 -1.635 12.695 1.00 0.00 H new ATOM 193 N LYS A 13 58.114 -3.293 8.241 1.00 0.00 N ATOM 194 CA LYS A 13 57.205 -3.757 7.160 1.00 0.00 C ATOM 195 C LYS A 13 55.850 -3.074 7.345 1.00 0.00 C ATOM 196 O LYS A 13 55.035 -3.024 6.446 1.00 0.00 O ATOM 197 CB LYS A 13 57.086 -5.294 7.207 1.00 0.00 C ATOM 198 CG LYS A 13 57.610 -5.892 8.521 1.00 0.00 C ATOM 199 CD LYS A 13 56.875 -5.271 9.709 1.00 0.00 C ATOM 200 CE LYS A 13 57.879 -4.946 10.818 1.00 0.00 C ATOM 201 NZ LYS A 13 57.226 -5.407 12.075 1.00 0.00 N ATOM 0 H LYS A 13 58.559 -4.019 8.803 1.00 0.00 H new ATOM 0 HA LYS A 13 57.598 -3.492 6.179 1.00 0.00 H new ATOM 0 HB2 LYS A 13 56.042 -5.577 7.075 1.00 0.00 H new ATOM 0 HB3 LYS A 13 57.640 -5.722 6.372 1.00 0.00 H new ATOM 0 HG2 LYS A 13 57.468 -6.973 8.520 1.00 0.00 H new ATOM 0 HG3 LYS A 13 58.681 -5.711 8.611 1.00 0.00 H new ATOM 0 HD2 LYS A 13 56.357 -4.365 9.396 1.00 0.00 H new ATOM 0 HD3 LYS A 13 56.116 -5.960 10.081 1.00 0.00 H new ATOM 0 HE2 LYS A 13 58.827 -5.458 10.655 1.00 0.00 H new ATOM 0 HE3 LYS A 13 58.096 -3.878 10.854 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 57.854 -5.218 12.882 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 56.329 -4.897 12.207 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 57.038 -6.428 12.014 1.00 0.00 H new ATOM 215 N THR A 14 55.623 -2.519 8.508 1.00 0.00 N ATOM 216 CA THR A 14 54.349 -1.805 8.773 1.00 0.00 C ATOM 217 C THR A 14 54.577 -0.298 8.624 1.00 0.00 C ATOM 218 O THR A 14 53.730 0.498 8.974 1.00 0.00 O ATOM 219 CB THR A 14 53.974 -2.151 10.222 1.00 0.00 C ATOM 220 OG1 THR A 14 54.445 -1.125 11.086 1.00 0.00 O ATOM 221 CG2 THR A 14 54.602 -3.490 10.630 1.00 0.00 C ATOM 0 H THR A 14 56.277 -2.533 9.291 1.00 0.00 H new ATOM 0 HA THR A 14 53.558 -2.093 8.081 1.00 0.00 H new ATOM 0 HB THR A 14 52.890 -2.233 10.299 1.00 0.00 H new ATOM 0 HG1 THR A 14 54.206 -1.341 12.011 1.00 0.00 H new ATOM 0 HG21 THR A 14 54.328 -3.722 11.659 1.00 0.00 H new ATOM 0 HG22 THR A 14 54.238 -4.278 9.971 1.00 0.00 H new ATOM 0 HG23 THR A 14 55.687 -3.422 10.550 1.00 0.00 H new ATOM 229 N ALA A 15 55.725 0.098 8.115 1.00 0.00 N ATOM 230 CA ALA A 15 56.024 1.541 7.939 1.00 0.00 C ATOM 231 C ALA A 15 54.913 2.251 7.151 1.00 0.00 C ATOM 232 O ALA A 15 53.754 1.901 7.212 1.00 0.00 O ATOM 233 CB ALA A 15 57.327 1.542 7.151 1.00 0.00 C ATOM 0 H ALA A 15 56.469 -0.532 7.814 1.00 0.00 H new ATOM 0 HA ALA A 15 56.096 2.071 8.889 1.00 0.00 H new ATOM 0 HB1 ALA A 15 57.639 2.570 6.966 1.00 0.00 H new ATOM 0 HB2 ALA A 15 58.098 1.026 7.723 1.00 0.00 H new ATOM 0 HB3 ALA A 15 57.177 1.031 6.200 1.00 0.00 H new ATOM 239 N GLU A 16 55.278 3.252 6.411 1.00 0.00 N ATOM 240 CA GLU A 16 54.291 4.024 5.606 1.00 0.00 C ATOM 241 C GLU A 16 55.024 4.865 4.557 1.00 0.00 C ATOM 242 O GLU A 16 55.996 5.534 4.846 1.00 0.00 O ATOM 243 CB GLU A 16 53.587 4.931 6.614 1.00 0.00 C ATOM 244 CG GLU A 16 52.197 4.376 6.919 1.00 0.00 C ATOM 245 CD GLU A 16 51.339 4.418 5.653 1.00 0.00 C ATOM 246 OE1 GLU A 16 51.874 4.747 4.608 1.00 0.00 O ATOM 247 OE2 GLU A 16 50.160 4.117 5.753 1.00 0.00 O ATOM 0 H GLU A 16 56.241 3.578 6.326 1.00 0.00 H new ATOM 0 HA GLU A 16 53.590 3.380 5.075 1.00 0.00 H new ATOM 0 HB2 GLU A 16 54.173 4.996 7.531 1.00 0.00 H new ATOM 0 HB3 GLU A 16 53.506 5.942 6.215 1.00 0.00 H new ATOM 0 HG2 GLU A 16 52.275 3.352 7.284 1.00 0.00 H new ATOM 0 HG3 GLU A 16 51.726 4.961 7.709 1.00 0.00 H new ATOM 254 N GLU A 17 54.564 4.829 3.342 1.00 0.00 N ATOM 255 CA GLU A 17 55.220 5.611 2.249 1.00 0.00 C ATOM 256 C GLU A 17 55.718 6.976 2.745 1.00 0.00 C ATOM 257 O GLU A 17 56.651 7.533 2.199 1.00 0.00 O ATOM 258 CB GLU A 17 54.137 5.791 1.182 1.00 0.00 C ATOM 259 CG GLU A 17 52.848 6.304 1.827 1.00 0.00 C ATOM 260 CD GLU A 17 51.654 5.538 1.256 1.00 0.00 C ATOM 261 OE1 GLU A 17 51.857 4.766 0.335 1.00 0.00 O ATOM 262 OE2 GLU A 17 50.555 5.738 1.749 1.00 0.00 O ATOM 0 H GLU A 17 53.751 4.286 3.050 1.00 0.00 H new ATOM 0 HA GLU A 17 56.100 5.093 1.867 1.00 0.00 H new ATOM 0 HB2 GLU A 17 54.477 6.494 0.421 1.00 0.00 H new ATOM 0 HB3 GLU A 17 53.949 4.843 0.679 1.00 0.00 H new ATOM 0 HG2 GLU A 17 52.893 6.175 2.908 1.00 0.00 H new ATOM 0 HG3 GLU A 17 52.733 7.371 1.638 1.00 0.00 H new ATOM 269 N ARG A 18 55.114 7.530 3.761 1.00 0.00 N ATOM 270 CA ARG A 18 55.580 8.866 4.254 1.00 0.00 C ATOM 271 C ARG A 18 56.806 8.705 5.154 1.00 0.00 C ATOM 272 O ARG A 18 57.682 9.546 5.181 1.00 0.00 O ATOM 273 CB ARG A 18 54.399 9.453 5.029 1.00 0.00 C ATOM 274 CG ARG A 18 53.867 8.416 6.020 1.00 0.00 C ATOM 275 CD ARG A 18 53.244 9.130 7.220 1.00 0.00 C ATOM 276 NE ARG A 18 54.285 9.066 8.282 1.00 0.00 N ATOM 277 CZ ARG A 18 53.933 8.997 9.536 1.00 0.00 C ATOM 278 NH1 ARG A 18 53.761 10.092 10.226 1.00 0.00 N ATOM 279 NH2 ARG A 18 53.754 7.835 10.101 1.00 0.00 N ATOM 0 H ARG A 18 54.327 7.125 4.268 1.00 0.00 H new ATOM 0 HA ARG A 18 55.880 9.521 3.436 1.00 0.00 H new ATOM 0 HB2 ARG A 18 54.711 10.352 5.561 1.00 0.00 H new ATOM 0 HB3 ARG A 18 53.609 9.749 4.338 1.00 0.00 H new ATOM 0 HG2 ARG A 18 53.125 7.782 5.535 1.00 0.00 H new ATOM 0 HG3 ARG A 18 54.676 7.765 6.351 1.00 0.00 H new ATOM 0 HD2 ARG A 18 52.989 10.162 6.978 1.00 0.00 H new ATOM 0 HD3 ARG A 18 52.324 8.640 7.538 1.00 0.00 H new ATOM 0 HE ARG A 18 55.273 9.076 8.029 1.00 0.00 H new ATOM 0 HH11 ARG A 18 53.902 11.001 9.784 1.00 0.00 H new ATOM 0 HH12 ARG A 18 53.486 10.039 11.207 1.00 0.00 H new ATOM 0 HH21 ARG A 18 53.889 6.980 9.562 1.00 0.00 H new ATOM 0 HH22 ARG A 18 53.479 7.782 11.082 1.00 0.00 H new ATOM 293 N GLU A 19 56.899 7.609 5.848 1.00 0.00 N ATOM 294 CA GLU A 19 58.090 7.360 6.693 1.00 0.00 C ATOM 295 C GLU A 19 59.020 6.465 5.889 1.00 0.00 C ATOM 296 O GLU A 19 60.203 6.373 6.149 1.00 0.00 O ATOM 297 CB GLU A 19 57.611 6.656 7.975 1.00 0.00 C ATOM 298 CG GLU A 19 56.307 5.891 7.743 1.00 0.00 C ATOM 299 CD GLU A 19 55.991 5.040 8.974 1.00 0.00 C ATOM 300 OE1 GLU A 19 56.673 4.049 9.175 1.00 0.00 O ATOM 301 OE2 GLU A 19 55.072 5.394 9.694 1.00 0.00 O ATOM 0 H GLU A 19 56.195 6.871 5.865 1.00 0.00 H new ATOM 0 HA GLU A 19 58.615 8.274 6.970 1.00 0.00 H new ATOM 0 HB2 GLU A 19 58.381 5.967 8.322 1.00 0.00 H new ATOM 0 HB3 GLU A 19 57.465 7.394 8.764 1.00 0.00 H new ATOM 0 HG2 GLU A 19 55.492 6.589 7.551 1.00 0.00 H new ATOM 0 HG3 GLU A 19 56.397 5.256 6.862 1.00 0.00 H new ATOM 308 N ILE A 20 58.487 5.840 4.867 1.00 0.00 N ATOM 309 CA ILE A 20 59.331 4.994 3.992 1.00 0.00 C ATOM 310 C ILE A 20 60.189 5.940 3.172 1.00 0.00 C ATOM 311 O ILE A 20 61.403 5.911 3.220 1.00 0.00 O ATOM 312 CB ILE A 20 58.359 4.235 3.095 1.00 0.00 C ATOM 313 CG1 ILE A 20 57.489 3.288 3.949 1.00 0.00 C ATOM 314 CG2 ILE A 20 59.152 3.457 2.044 1.00 0.00 C ATOM 315 CD1 ILE A 20 58.269 2.035 4.359 1.00 0.00 C ATOM 0 H ILE A 20 57.502 5.885 4.608 1.00 0.00 H new ATOM 0 HA ILE A 20 59.973 4.297 4.530 1.00 0.00 H new ATOM 0 HB ILE A 20 57.696 4.934 2.586 1.00 0.00 H new ATOM 0 HG12 ILE A 20 57.144 3.812 4.840 1.00 0.00 H new ATOM 0 HG13 ILE A 20 56.602 2.999 3.386 1.00 0.00 H new ATOM 0 HG21 ILE A 20 58.463 2.912 1.399 1.00 0.00 H new ATOM 0 HG22 ILE A 20 59.739 4.152 1.443 1.00 0.00 H new ATOM 0 HG23 ILE A 20 59.820 2.752 2.540 1.00 0.00 H new ATOM 0 HD11 ILE A 20 57.629 1.388 4.959 1.00 0.00 H new ATOM 0 HD12 ILE A 20 58.592 1.499 3.466 1.00 0.00 H new ATOM 0 HD13 ILE A 20 59.142 2.325 4.943 1.00 0.00 H new ATOM 327 N ARG A 21 59.549 6.834 2.468 1.00 0.00 N ATOM 328 CA ARG A 21 60.310 7.845 1.698 1.00 0.00 C ATOM 329 C ARG A 21 61.261 8.516 2.680 1.00 0.00 C ATOM 330 O ARG A 21 62.319 9.000 2.332 1.00 0.00 O ATOM 331 CB ARG A 21 59.255 8.841 1.208 1.00 0.00 C ATOM 332 CG ARG A 21 58.474 9.386 2.407 1.00 0.00 C ATOM 333 CD ARG A 21 59.261 10.525 3.062 1.00 0.00 C ATOM 334 NE ARG A 21 58.335 11.691 3.044 1.00 0.00 N ATOM 335 CZ ARG A 21 58.411 12.574 2.085 1.00 0.00 C ATOM 336 NH1 ARG A 21 58.539 12.181 0.846 1.00 0.00 N ATOM 337 NH2 ARG A 21 58.349 13.849 2.363 1.00 0.00 N ATOM 0 H ARG A 21 58.534 6.904 2.396 1.00 0.00 H new ATOM 0 HA ARG A 21 60.882 7.441 0.863 1.00 0.00 H new ATOM 0 HB2 ARG A 21 59.734 9.659 0.670 1.00 0.00 H new ATOM 0 HB3 ARG A 21 58.576 8.353 0.509 1.00 0.00 H new ATOM 0 HG2 ARG A 21 57.497 9.745 2.084 1.00 0.00 H new ATOM 0 HG3 ARG A 21 58.298 8.590 3.130 1.00 0.00 H new ATOM 0 HD2 ARG A 21 59.553 10.269 4.080 1.00 0.00 H new ATOM 0 HD3 ARG A 21 60.177 10.740 2.512 1.00 0.00 H new ATOM 0 HE ARG A 21 57.640 11.800 3.782 1.00 0.00 H new ATOM 0 HH11 ARG A 21 58.579 11.185 0.628 1.00 0.00 H new ATOM 0 HH12 ARG A 21 58.598 12.870 0.096 1.00 0.00 H new ATOM 0 HH21 ARG A 21 58.241 14.156 3.330 1.00 0.00 H new ATOM 0 HH22 ARG A 21 58.408 14.538 1.613 1.00 0.00 H new ATOM 351 N LYS A 22 60.864 8.521 3.924 1.00 0.00 N ATOM 352 CA LYS A 22 61.688 9.125 4.997 1.00 0.00 C ATOM 353 C LYS A 22 62.838 8.183 5.374 1.00 0.00 C ATOM 354 O LYS A 22 63.975 8.593 5.502 1.00 0.00 O ATOM 355 CB LYS A 22 60.713 9.278 6.170 1.00 0.00 C ATOM 356 CG LYS A 22 61.125 10.480 7.017 1.00 0.00 C ATOM 357 CD LYS A 22 62.376 10.129 7.824 1.00 0.00 C ATOM 358 CE LYS A 22 61.961 9.595 9.195 1.00 0.00 C ATOM 359 NZ LYS A 22 62.683 10.451 10.177 1.00 0.00 N ATOM 0 H LYS A 22 59.982 8.121 4.243 1.00 0.00 H new ATOM 0 HA LYS A 22 62.142 10.071 4.703 1.00 0.00 H new ATOM 0 HB2 LYS A 22 59.697 9.412 5.798 1.00 0.00 H new ATOM 0 HB3 LYS A 22 60.713 8.373 6.778 1.00 0.00 H new ATOM 0 HG2 LYS A 22 61.322 11.340 6.376 1.00 0.00 H new ATOM 0 HG3 LYS A 22 60.313 10.761 7.688 1.00 0.00 H new ATOM 0 HD2 LYS A 22 62.967 9.382 7.294 1.00 0.00 H new ATOM 0 HD3 LYS A 22 63.007 11.010 7.940 1.00 0.00 H new ATOM 0 HE2 LYS A 22 60.882 9.660 9.334 1.00 0.00 H new ATOM 0 HE3 LYS A 22 62.235 8.546 9.309 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 62.851 9.912 11.050 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 63.594 10.749 9.774 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 62.109 11.291 10.394 1.00 0.00 H new ATOM 373 N ALA A 23 62.547 6.924 5.557 1.00 0.00 N ATOM 374 CA ALA A 23 63.615 5.952 5.930 1.00 0.00 C ATOM 375 C ALA A 23 64.785 6.080 4.957 1.00 0.00 C ATOM 376 O ALA A 23 65.936 6.067 5.343 1.00 0.00 O ATOM 377 CB ALA A 23 62.953 4.581 5.812 1.00 0.00 C ATOM 0 H ALA A 23 61.613 6.525 5.464 1.00 0.00 H new ATOM 0 HA ALA A 23 64.013 6.120 6.931 1.00 0.00 H new ATOM 0 HB1 ALA A 23 63.674 3.805 6.071 1.00 0.00 H new ATOM 0 HB2 ALA A 23 62.103 4.528 6.492 1.00 0.00 H new ATOM 0 HB3 ALA A 23 62.609 4.430 4.789 1.00 0.00 H new ATOM 383 N TYR A 24 64.491 6.240 3.699 1.00 0.00 N ATOM 384 CA TYR A 24 65.566 6.413 2.697 1.00 0.00 C ATOM 385 C TYR A 24 66.109 7.820 2.865 1.00 0.00 C ATOM 386 O TYR A 24 67.296 8.051 2.901 1.00 0.00 O ATOM 387 CB TYR A 24 64.862 6.246 1.350 1.00 0.00 C ATOM 388 CG TYR A 24 65.866 6.344 0.223 1.00 0.00 C ATOM 389 CD1 TYR A 24 67.211 6.017 0.440 1.00 0.00 C ATOM 390 CD2 TYR A 24 65.447 6.769 -1.045 1.00 0.00 C ATOM 391 CE1 TYR A 24 68.134 6.114 -0.608 1.00 0.00 C ATOM 392 CE2 TYR A 24 66.371 6.866 -2.093 1.00 0.00 C ATOM 393 CZ TYR A 24 67.714 6.538 -1.875 1.00 0.00 C ATOM 394 OH TYR A 24 68.625 6.632 -2.908 1.00 0.00 O ATOM 0 H TYR A 24 63.543 6.258 3.323 1.00 0.00 H new ATOM 0 HA TYR A 24 66.395 5.712 2.790 1.00 0.00 H new ATOM 0 HB2 TYR A 24 64.355 5.282 1.313 1.00 0.00 H new ATOM 0 HB3 TYR A 24 64.097 7.013 1.233 1.00 0.00 H new ATOM 0 HD1 TYR A 24 67.536 5.690 1.417 1.00 0.00 H new ATOM 0 HD2 TYR A 24 64.411 7.022 -1.214 1.00 0.00 H new ATOM 0 HE1 TYR A 24 69.171 5.862 -0.439 1.00 0.00 H new ATOM 0 HE2 TYR A 24 66.047 7.194 -3.070 1.00 0.00 H new ATOM 0 HH TYR A 24 68.169 6.940 -3.719 1.00 0.00 H new ATOM 404 N LYS A 25 65.220 8.755 3.006 1.00 0.00 N ATOM 405 CA LYS A 25 65.623 10.165 3.217 1.00 0.00 C ATOM 406 C LYS A 25 66.627 10.256 4.369 1.00 0.00 C ATOM 407 O LYS A 25 67.610 10.965 4.299 1.00 0.00 O ATOM 408 CB LYS A 25 64.317 10.841 3.607 1.00 0.00 C ATOM 409 CG LYS A 25 63.958 11.915 2.586 1.00 0.00 C ATOM 410 CD LYS A 25 62.565 11.626 2.028 1.00 0.00 C ATOM 411 CE LYS A 25 61.891 12.941 1.632 1.00 0.00 C ATOM 412 NZ LYS A 25 62.557 13.345 0.363 1.00 0.00 N ATOM 0 H LYS A 25 64.212 8.598 2.983 1.00 0.00 H new ATOM 0 HA LYS A 25 66.100 10.615 2.346 1.00 0.00 H new ATOM 0 HB2 LYS A 25 63.519 10.101 3.664 1.00 0.00 H new ATOM 0 HB3 LYS A 25 64.411 11.286 4.597 1.00 0.00 H new ATOM 0 HG2 LYS A 25 63.980 12.900 3.052 1.00 0.00 H new ATOM 0 HG3 LYS A 25 64.691 11.928 1.780 1.00 0.00 H new ATOM 0 HD2 LYS A 25 62.638 10.967 1.163 1.00 0.00 H new ATOM 0 HD3 LYS A 25 61.963 11.107 2.774 1.00 0.00 H new ATOM 0 HE2 LYS A 25 60.818 12.808 1.491 1.00 0.00 H new ATOM 0 HE3 LYS A 25 62.019 13.699 2.404 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 63.012 14.271 0.490 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 63.276 12.638 0.108 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 61.849 13.408 -0.396 1.00 0.00 H new ATOM 426 N ARG A 26 66.372 9.545 5.433 1.00 0.00 N ATOM 427 CA ARG A 26 67.293 9.586 6.603 1.00 0.00 C ATOM 428 C ARG A 26 68.713 9.185 6.187 1.00 0.00 C ATOM 429 O ARG A 26 69.666 9.902 6.420 1.00 0.00 O ATOM 430 CB ARG A 26 66.723 8.566 7.588 1.00 0.00 C ATOM 431 CG ARG A 26 65.615 9.220 8.414 1.00 0.00 C ATOM 432 CD ARG A 26 65.789 8.855 9.892 1.00 0.00 C ATOM 433 NE ARG A 26 67.202 9.203 10.212 1.00 0.00 N ATOM 434 CZ ARG A 26 67.486 10.362 10.742 1.00 0.00 C ATOM 435 NH1 ARG A 26 67.491 10.503 12.040 1.00 0.00 N ATOM 436 NH2 ARG A 26 67.763 11.381 9.975 1.00 0.00 N ATOM 0 H ARG A 26 65.562 8.935 5.542 1.00 0.00 H new ATOM 0 HA ARG A 26 67.361 10.585 7.034 1.00 0.00 H new ATOM 0 HB2 ARG A 26 66.329 7.704 7.049 1.00 0.00 H new ATOM 0 HB3 ARG A 26 67.512 8.198 8.244 1.00 0.00 H new ATOM 0 HG2 ARG A 26 65.647 10.303 8.291 1.00 0.00 H new ATOM 0 HG3 ARG A 26 64.639 8.887 8.060 1.00 0.00 H new ATOM 0 HD2 ARG A 26 65.094 9.411 10.520 1.00 0.00 H new ATOM 0 HD3 ARG A 26 65.595 7.796 10.062 1.00 0.00 H new ATOM 0 HE ARG A 26 67.948 8.535 10.017 1.00 0.00 H new ATOM 0 HH11 ARG A 26 67.273 9.708 12.640 1.00 0.00 H new ATOM 0 HH12 ARG A 26 67.713 11.409 12.454 1.00 0.00 H new ATOM 0 HH21 ARG A 26 67.758 11.272 8.961 1.00 0.00 H new ATOM 0 HH22 ARG A 26 67.985 12.286 10.390 1.00 0.00 H new ATOM 450 N LEU A 27 68.859 8.044 5.575 1.00 0.00 N ATOM 451 CA LEU A 27 70.210 7.593 5.142 1.00 0.00 C ATOM 452 C LEU A 27 70.597 8.295 3.849 1.00 0.00 C ATOM 453 O LEU A 27 71.755 8.534 3.576 1.00 0.00 O ATOM 454 CB LEU A 27 70.075 6.083 4.922 1.00 0.00 C ATOM 455 CG LEU A 27 69.414 5.796 3.573 1.00 0.00 C ATOM 456 CD1 LEU A 27 70.490 5.636 2.498 1.00 0.00 C ATOM 457 CD2 LEU A 27 68.599 4.504 3.676 1.00 0.00 C ATOM 0 H LEU A 27 68.098 7.402 5.355 1.00 0.00 H new ATOM 0 HA LEU A 27 70.983 7.824 5.875 1.00 0.00 H new ATOM 0 HB2 LEU A 27 71.059 5.615 4.959 1.00 0.00 H new ATOM 0 HB3 LEU A 27 69.483 5.644 5.725 1.00 0.00 H new ATOM 0 HG LEU A 27 68.757 6.624 3.305 1.00 0.00 H new ATOM 0 HD11 LEU A 27 70.017 5.432 1.537 1.00 0.00 H new ATOM 0 HD12 LEU A 27 71.073 6.554 2.427 1.00 0.00 H new ATOM 0 HD13 LEU A 27 71.148 4.808 2.762 1.00 0.00 H new ATOM 0 HD21 LEU A 27 68.126 4.295 2.717 1.00 0.00 H new ATOM 0 HD22 LEU A 27 69.258 3.678 3.943 1.00 0.00 H new ATOM 0 HD23 LEU A 27 67.832 4.618 4.442 1.00 0.00 H new ATOM 469 N ALA A 28 69.623 8.617 3.053 1.00 0.00 N ATOM 470 CA ALA A 28 69.892 9.293 1.766 1.00 0.00 C ATOM 471 C ALA A 28 70.247 10.752 2.012 1.00 0.00 C ATOM 472 O ALA A 28 71.191 11.270 1.446 1.00 0.00 O ATOM 473 CB ALA A 28 68.582 9.156 0.997 1.00 0.00 C ATOM 0 H ALA A 28 68.638 8.437 3.245 1.00 0.00 H new ATOM 0 HA ALA A 28 70.731 8.865 1.217 1.00 0.00 H new ATOM 0 HB1 ALA A 28 68.682 9.630 0.021 1.00 0.00 H new ATOM 0 HB2 ALA A 28 68.346 8.100 0.865 1.00 0.00 H new ATOM 0 HB3 ALA A 28 67.780 9.640 1.555 1.00 0.00 H new ATOM 479 N MET A 29 69.534 11.418 2.876 1.00 0.00 N ATOM 480 CA MET A 29 69.896 12.830 3.155 1.00 0.00 C ATOM 481 C MET A 29 71.308 12.827 3.730 1.00 0.00 C ATOM 482 O MET A 29 72.064 13.765 3.583 1.00 0.00 O ATOM 483 CB MET A 29 68.869 13.339 4.173 1.00 0.00 C ATOM 484 CG MET A 29 69.202 12.801 5.566 1.00 0.00 C ATOM 485 SD MET A 29 67.762 12.995 6.647 1.00 0.00 S ATOM 486 CE MET A 29 67.957 14.763 6.979 1.00 0.00 C ATOM 0 H MET A 29 68.732 11.053 3.391 1.00 0.00 H new ATOM 0 HA MET A 29 69.883 13.472 2.274 1.00 0.00 H new ATOM 0 HB2 MET A 29 68.867 14.429 4.186 1.00 0.00 H new ATOM 0 HB3 MET A 29 67.868 13.022 3.881 1.00 0.00 H new ATOM 0 HG2 MET A 29 69.485 11.750 5.504 1.00 0.00 H new ATOM 0 HG3 MET A 29 70.056 13.337 5.980 1.00 0.00 H new ATOM 0 HE1 MET A 29 68.154 14.914 8.040 1.00 0.00 H new ATOM 0 HE2 MET A 29 68.791 15.153 6.396 1.00 0.00 H new ATOM 0 HE3 MET A 29 67.043 15.288 6.701 1.00 0.00 H new ATOM 496 N LYS A 30 71.667 11.740 4.359 1.00 0.00 N ATOM 497 CA LYS A 30 73.036 11.613 4.927 1.00 0.00 C ATOM 498 C LYS A 30 73.969 11.034 3.861 1.00 0.00 C ATOM 499 O LYS A 30 75.176 11.135 3.954 1.00 0.00 O ATOM 500 CB LYS A 30 72.895 10.643 6.101 1.00 0.00 C ATOM 501 CG LYS A 30 72.813 11.429 7.412 1.00 0.00 C ATOM 502 CD LYS A 30 71.691 10.859 8.283 1.00 0.00 C ATOM 503 CE LYS A 30 72.262 10.422 9.634 1.00 0.00 C ATOM 504 NZ LYS A 30 71.275 10.899 10.643 1.00 0.00 N ATOM 0 H LYS A 30 71.064 10.930 4.504 1.00 0.00 H new ATOM 0 HA LYS A 30 73.451 12.569 5.247 1.00 0.00 H new ATOM 0 HB2 LYS A 30 72.001 10.032 5.975 1.00 0.00 H new ATOM 0 HB3 LYS A 30 73.745 9.962 6.127 1.00 0.00 H new ATOM 0 HG2 LYS A 30 73.764 11.372 7.942 1.00 0.00 H new ATOM 0 HG3 LYS A 30 72.627 12.483 7.205 1.00 0.00 H new ATOM 0 HD2 LYS A 30 70.914 11.610 8.431 1.00 0.00 H new ATOM 0 HD3 LYS A 30 71.224 10.011 7.783 1.00 0.00 H new ATOM 0 HE2 LYS A 30 72.382 9.340 9.680 1.00 0.00 H new ATOM 0 HE3 LYS A 30 73.245 10.859 9.807 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 71.598 10.636 11.596 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 71.187 11.933 10.580 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 70.350 10.461 10.458 1.00 0.00 H new ATOM 518 N TYR A 31 73.411 10.422 2.845 1.00 0.00 N ATOM 519 CA TYR A 31 74.266 9.832 1.773 1.00 0.00 C ATOM 520 C TYR A 31 74.224 10.682 0.517 1.00 0.00 C ATOM 521 O TYR A 31 74.759 10.321 -0.509 1.00 0.00 O ATOM 522 CB TYR A 31 73.686 8.450 1.503 1.00 0.00 C ATOM 523 CG TYR A 31 74.365 7.438 2.397 1.00 0.00 C ATOM 524 CD1 TYR A 31 75.024 7.860 3.561 1.00 0.00 C ATOM 525 CD2 TYR A 31 74.340 6.081 2.063 1.00 0.00 C ATOM 526 CE1 TYR A 31 75.656 6.927 4.388 1.00 0.00 C ATOM 527 CE2 TYR A 31 74.972 5.146 2.890 1.00 0.00 C ATOM 528 CZ TYR A 31 75.631 5.568 4.053 1.00 0.00 C ATOM 529 OH TYR A 31 76.253 4.644 4.869 1.00 0.00 O ATOM 0 H TYR A 31 72.406 10.307 2.714 1.00 0.00 H new ATOM 0 HA TYR A 31 75.311 9.781 2.079 1.00 0.00 H new ATOM 0 HB2 TYR A 31 72.612 8.452 1.687 1.00 0.00 H new ATOM 0 HB3 TYR A 31 73.829 8.181 0.456 1.00 0.00 H new ATOM 0 HD1 TYR A 31 75.043 8.909 3.819 1.00 0.00 H new ATOM 0 HD2 TYR A 31 73.833 5.754 1.167 1.00 0.00 H new ATOM 0 HE1 TYR A 31 76.163 7.254 5.284 1.00 0.00 H new ATOM 0 HE2 TYR A 31 74.952 4.097 2.632 1.00 0.00 H new ATOM 0 HH TYR A 31 76.140 3.746 4.492 1.00 0.00 H new ATOM 539 N HIS A 32 73.610 11.812 0.619 1.00 0.00 N ATOM 540 CA HIS A 32 73.526 12.763 -0.514 1.00 0.00 C ATOM 541 C HIS A 32 74.934 13.051 -1.057 1.00 0.00 C ATOM 542 O HIS A 32 75.789 12.201 -0.953 1.00 0.00 O ATOM 543 CB HIS A 32 72.868 13.950 0.166 1.00 0.00 C ATOM 544 CG HIS A 32 73.859 14.615 1.094 1.00 0.00 C ATOM 545 ND1 HIS A 32 74.675 13.899 1.969 1.00 0.00 N ATOM 546 CD2 HIS A 32 74.163 15.933 1.304 1.00 0.00 C ATOM 547 CE1 HIS A 32 75.415 14.793 2.652 1.00 0.00 C ATOM 548 NE2 HIS A 32 75.141 16.046 2.285 1.00 0.00 N ATOM 0 H HIS A 32 73.145 12.131 1.469 1.00 0.00 H new ATOM 0 HA HIS A 32 72.974 12.428 -1.392 1.00 0.00 H new ATOM 0 HB2 HIS A 32 72.519 14.663 -0.581 1.00 0.00 H new ATOM 0 HB3 HIS A 32 71.993 13.622 0.727 1.00 0.00 H new ATOM 0 HD2 HIS A 32 73.709 16.763 0.784 1.00 0.00 H new ATOM 0 HE1 HIS A 32 76.142 14.528 3.405 1.00 0.00 H new ATOM 0 HE2 HIS A 32 75.559 16.903 2.647 1.00 0.00 H new ATOM 556 N PRO A 33 75.176 14.203 -1.640 1.00 0.00 N ATOM 557 CA PRO A 33 76.535 14.460 -2.175 1.00 0.00 C ATOM 558 C PRO A 33 77.562 14.530 -1.039 1.00 0.00 C ATOM 559 O PRO A 33 78.312 15.477 -0.907 1.00 0.00 O ATOM 560 CB PRO A 33 76.391 15.781 -2.923 1.00 0.00 C ATOM 561 CG PRO A 33 75.208 16.439 -2.303 1.00 0.00 C ATOM 562 CD PRO A 33 74.280 15.348 -1.863 1.00 0.00 C ATOM 0 HA PRO A 33 76.900 13.669 -2.830 1.00 0.00 H new ATOM 0 HB2 PRO A 33 77.286 16.395 -2.819 1.00 0.00 H new ATOM 0 HB3 PRO A 33 76.239 15.618 -3.990 1.00 0.00 H new ATOM 0 HG2 PRO A 33 75.509 17.054 -1.455 1.00 0.00 H new ATOM 0 HG3 PRO A 33 74.716 17.099 -3.017 1.00 0.00 H new ATOM 0 HD2 PRO A 33 73.743 15.620 -0.954 1.00 0.00 H new ATOM 0 HD3 PRO A 33 73.530 15.129 -2.623 1.00 0.00 H new ATOM 570 N ASP A 34 77.605 13.497 -0.242 1.00 0.00 N ATOM 571 CA ASP A 34 78.577 13.416 0.879 1.00 0.00 C ATOM 572 C ASP A 34 79.552 12.284 0.551 1.00 0.00 C ATOM 573 O ASP A 34 80.752 12.401 0.704 1.00 0.00 O ATOM 574 CB ASP A 34 77.714 13.094 2.121 1.00 0.00 C ATOM 575 CG ASP A 34 78.145 11.773 2.776 1.00 0.00 C ATOM 576 OD1 ASP A 34 79.231 11.737 3.331 1.00 0.00 O ATOM 577 OD2 ASP A 34 77.380 10.825 2.711 1.00 0.00 O ATOM 0 H ASP A 34 76.990 12.687 -0.326 1.00 0.00 H new ATOM 0 HA ASP A 34 79.160 14.322 1.047 1.00 0.00 H new ATOM 0 HB2 ASP A 34 77.798 13.905 2.844 1.00 0.00 H new ATOM 0 HB3 ASP A 34 76.665 13.033 1.831 1.00 0.00 H new ATOM 582 N ARG A 35 79.016 11.185 0.092 1.00 0.00 N ATOM 583 CA ARG A 35 79.857 10.018 -0.269 1.00 0.00 C ATOM 584 C ARG A 35 79.296 9.344 -1.530 1.00 0.00 C ATOM 585 O ARG A 35 80.022 8.735 -2.290 1.00 0.00 O ATOM 586 CB ARG A 35 79.746 9.081 0.931 1.00 0.00 C ATOM 587 CG ARG A 35 78.274 8.738 1.164 1.00 0.00 C ATOM 588 CD ARG A 35 77.844 7.656 0.175 1.00 0.00 C ATOM 589 NE ARG A 35 77.454 6.492 1.019 1.00 0.00 N ATOM 590 CZ ARG A 35 78.273 5.484 1.160 1.00 0.00 C ATOM 591 NH1 ARG A 35 78.985 5.071 0.147 1.00 0.00 N ATOM 592 NH2 ARG A 35 78.381 4.890 2.317 1.00 0.00 N ATOM 0 H ARG A 35 78.015 11.049 -0.049 1.00 0.00 H new ATOM 0 HA ARG A 35 80.890 10.291 -0.483 1.00 0.00 H new ATOM 0 HB2 ARG A 35 80.320 8.172 0.752 1.00 0.00 H new ATOM 0 HB3 ARG A 35 80.167 9.555 1.818 1.00 0.00 H new ATOM 0 HG2 ARG A 35 78.127 8.391 2.187 1.00 0.00 H new ATOM 0 HG3 ARG A 35 77.657 9.628 1.038 1.00 0.00 H new ATOM 0 HD2 ARG A 35 77.010 7.993 -0.441 1.00 0.00 H new ATOM 0 HD3 ARG A 35 78.657 7.396 -0.503 1.00 0.00 H new ATOM 0 HE ARG A 35 76.548 6.482 1.487 1.00 0.00 H new ATOM 0 HH11 ARG A 35 78.903 5.536 -0.757 1.00 0.00 H new ATOM 0 HH12 ARG A 35 79.624 4.284 0.260 1.00 0.00 H new ATOM 0 HH21 ARG A 35 77.826 5.213 3.110 1.00 0.00 H new ATOM 0 HH22 ARG A 35 79.020 4.103 2.428 1.00 0.00 H new ATOM 606 N ASN A 36 78.004 9.439 -1.754 1.00 0.00 N ATOM 607 CA ASN A 36 77.409 8.796 -2.955 1.00 0.00 C ATOM 608 C ASN A 36 78.298 9.039 -4.168 1.00 0.00 C ATOM 609 O ASN A 36 78.319 8.263 -5.103 1.00 0.00 O ATOM 610 CB ASN A 36 76.061 9.485 -3.135 1.00 0.00 C ATOM 611 CG ASN A 36 74.937 8.463 -2.957 1.00 0.00 C ATOM 612 OD1 ASN A 36 74.954 7.410 -3.564 1.00 0.00 O ATOM 613 ND2 ASN A 36 73.953 8.730 -2.145 1.00 0.00 N ATOM 0 H ASN A 36 77.344 9.934 -1.154 1.00 0.00 H new ATOM 0 HA ASN A 36 77.306 7.716 -2.845 1.00 0.00 H new ATOM 0 HB2 ASN A 36 75.953 10.291 -2.409 1.00 0.00 H new ATOM 0 HB3 ASN A 36 76.002 9.938 -4.125 1.00 0.00 H new ATOM 0 HD21 ASN A 36 73.198 8.056 -2.019 1.00 0.00 H new ATOM 0 HD22 ASN A 36 73.938 9.613 -1.635 1.00 0.00 H new ATOM 620 N GLN A 37 79.039 10.110 -4.158 1.00 0.00 N ATOM 621 CA GLN A 37 79.932 10.398 -5.308 1.00 0.00 C ATOM 622 C GLN A 37 80.732 9.143 -5.668 1.00 0.00 C ATOM 623 O GLN A 37 81.198 8.990 -6.779 1.00 0.00 O ATOM 624 CB GLN A 37 80.859 11.513 -4.823 1.00 0.00 C ATOM 625 CG GLN A 37 80.021 12.657 -4.248 1.00 0.00 C ATOM 626 CD GLN A 37 80.650 13.996 -4.639 1.00 0.00 C ATOM 627 OE1 GLN A 37 80.970 14.802 -3.788 1.00 0.00 O ATOM 628 NE2 GLN A 37 80.842 14.268 -5.901 1.00 0.00 N ATOM 0 H GLN A 37 79.064 10.796 -3.404 1.00 0.00 H new ATOM 0 HA GLN A 37 79.382 10.695 -6.201 1.00 0.00 H new ATOM 0 HB2 GLN A 37 81.541 11.130 -4.064 1.00 0.00 H new ATOM 0 HB3 GLN A 37 81.472 11.876 -5.648 1.00 0.00 H new ATOM 0 HG2 GLN A 37 79.000 12.599 -4.625 1.00 0.00 H new ATOM 0 HG3 GLN A 37 79.966 12.572 -3.163 1.00 0.00 H new ATOM 0 HE21 GLN A 37 80.573 13.591 -6.615 1.00 0.00 H new ATOM 0 HE22 GLN A 37 81.261 15.157 -6.173 1.00 0.00 H new ATOM 637 N GLY A 38 80.888 8.240 -4.735 1.00 0.00 N ATOM 638 CA GLY A 38 81.651 6.993 -5.027 1.00 0.00 C ATOM 639 C GLY A 38 80.673 5.825 -5.166 1.00 0.00 C ATOM 640 O GLY A 38 80.981 4.699 -4.829 1.00 0.00 O ATOM 0 H GLY A 38 80.521 8.313 -3.786 1.00 0.00 H new ATOM 0 HA2 GLY A 38 82.227 7.112 -5.945 1.00 0.00 H new ATOM 0 HA3 GLY A 38 82.364 6.793 -4.227 1.00 0.00 H new ATOM 644 N ASP A 39 79.492 6.087 -5.655 1.00 0.00 N ATOM 645 CA ASP A 39 78.487 4.998 -5.813 1.00 0.00 C ATOM 646 C ASP A 39 78.937 4.004 -6.890 1.00 0.00 C ATOM 647 O ASP A 39 78.261 3.795 -7.879 1.00 0.00 O ATOM 648 CB ASP A 39 77.202 5.715 -6.233 1.00 0.00 C ATOM 649 CG ASP A 39 77.471 6.562 -7.480 1.00 0.00 C ATOM 650 OD1 ASP A 39 78.188 7.541 -7.365 1.00 0.00 O ATOM 651 OD2 ASP A 39 76.951 6.216 -8.529 1.00 0.00 O ATOM 0 H ASP A 39 79.179 7.011 -5.953 1.00 0.00 H new ATOM 0 HA ASP A 39 78.352 4.420 -4.899 1.00 0.00 H new ATOM 0 HB2 ASP A 39 76.417 4.987 -6.438 1.00 0.00 H new ATOM 0 HB3 ASP A 39 76.845 6.348 -5.421 1.00 0.00 H new ATOM 656 N LYS A 40 80.074 3.387 -6.703 1.00 0.00 N ATOM 657 CA LYS A 40 80.575 2.401 -7.708 1.00 0.00 C ATOM 658 C LYS A 40 80.032 1.006 -7.400 1.00 0.00 C ATOM 659 O LYS A 40 80.618 0.005 -7.763 1.00 0.00 O ATOM 660 CB LYS A 40 82.090 2.419 -7.553 1.00 0.00 C ATOM 661 CG LYS A 40 82.736 1.870 -8.826 1.00 0.00 C ATOM 662 CD LYS A 40 84.248 1.780 -8.629 1.00 0.00 C ATOM 663 CE LYS A 40 84.619 0.382 -8.128 1.00 0.00 C ATOM 664 NZ LYS A 40 85.831 0.582 -7.285 1.00 0.00 N ATOM 0 H LYS A 40 80.680 3.524 -5.894 1.00 0.00 H new ATOM 0 HA LYS A 40 80.259 2.651 -8.721 1.00 0.00 H new ATOM 0 HB2 LYS A 40 82.436 3.436 -7.366 1.00 0.00 H new ATOM 0 HB3 LYS A 40 82.386 1.818 -6.693 1.00 0.00 H new ATOM 0 HG2 LYS A 40 82.329 0.886 -9.058 1.00 0.00 H new ATOM 0 HG3 LYS A 40 82.506 2.518 -9.672 1.00 0.00 H new ATOM 0 HD2 LYS A 40 84.760 1.988 -9.568 1.00 0.00 H new ATOM 0 HD3 LYS A 40 84.577 2.533 -7.913 1.00 0.00 H new ATOM 0 HE2 LYS A 40 83.806 -0.059 -7.551 1.00 0.00 H new ATOM 0 HE3 LYS A 40 84.823 -0.293 -8.959 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 86.145 -0.334 -6.906 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 86.591 0.996 -7.862 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 85.605 1.223 -6.498 1.00 0.00 H new ATOM 678 N GLU A 41 78.929 0.931 -6.714 1.00 0.00 N ATOM 679 CA GLU A 41 78.355 -0.399 -6.357 1.00 0.00 C ATOM 680 C GLU A 41 77.240 -0.209 -5.334 1.00 0.00 C ATOM 681 O GLU A 41 76.100 -0.558 -5.573 1.00 0.00 O ATOM 682 CB GLU A 41 79.513 -1.204 -5.752 1.00 0.00 C ATOM 683 CG GLU A 41 80.439 -0.284 -4.948 1.00 0.00 C ATOM 684 CD GLU A 41 80.640 -0.864 -3.547 1.00 0.00 C ATOM 685 OE1 GLU A 41 79.778 -1.607 -3.105 1.00 0.00 O ATOM 686 OE2 GLU A 41 81.652 -0.559 -2.939 1.00 0.00 O ATOM 0 H GLU A 41 78.396 1.735 -6.383 1.00 0.00 H new ATOM 0 HA GLU A 41 77.929 -0.912 -7.219 1.00 0.00 H new ATOM 0 HB2 GLU A 41 79.120 -1.990 -5.107 1.00 0.00 H new ATOM 0 HB3 GLU A 41 80.077 -1.695 -6.545 1.00 0.00 H new ATOM 0 HG2 GLU A 41 81.399 -0.185 -5.454 1.00 0.00 H new ATOM 0 HG3 GLU A 41 80.009 0.715 -4.882 1.00 0.00 H new ATOM 693 N ALA A 42 77.546 0.368 -4.204 1.00 0.00 N ATOM 694 CA ALA A 42 76.487 0.605 -3.193 1.00 0.00 C ATOM 695 C ALA A 42 75.395 1.454 -3.835 1.00 0.00 C ATOM 696 O ALA A 42 74.280 1.521 -3.355 1.00 0.00 O ATOM 697 CB ALA A 42 77.173 1.366 -2.057 1.00 0.00 C ATOM 0 H ALA A 42 78.480 0.683 -3.941 1.00 0.00 H new ATOM 0 HA ALA A 42 76.029 -0.313 -2.824 1.00 0.00 H new ATOM 0 HB1 ALA A 42 76.448 1.577 -1.270 1.00 0.00 H new ATOM 0 HB2 ALA A 42 77.984 0.761 -1.651 1.00 0.00 H new ATOM 0 HB3 ALA A 42 77.577 2.304 -2.439 1.00 0.00 H new ATOM 703 N GLU A 43 75.716 2.098 -4.930 1.00 0.00 N ATOM 704 CA GLU A 43 74.703 2.942 -5.628 1.00 0.00 C ATOM 705 C GLU A 43 73.349 2.271 -5.610 1.00 0.00 C ATOM 706 O GLU A 43 72.331 2.885 -5.364 1.00 0.00 O ATOM 707 CB GLU A 43 75.146 3.001 -7.080 1.00 0.00 C ATOM 708 CG GLU A 43 74.257 3.994 -7.832 1.00 0.00 C ATOM 709 CD GLU A 43 75.008 4.537 -9.049 1.00 0.00 C ATOM 710 OE1 GLU A 43 76.147 4.146 -9.241 1.00 0.00 O ATOM 711 OE2 GLU A 43 74.430 5.334 -9.769 1.00 0.00 O ATOM 0 H GLU A 43 76.636 2.074 -5.369 1.00 0.00 H new ATOM 0 HA GLU A 43 74.628 3.918 -5.149 1.00 0.00 H new ATOM 0 HB2 GLU A 43 76.190 3.308 -7.143 1.00 0.00 H new ATOM 0 HB3 GLU A 43 75.076 2.013 -7.535 1.00 0.00 H new ATOM 0 HG2 GLU A 43 73.336 3.505 -8.149 1.00 0.00 H new ATOM 0 HG3 GLU A 43 73.972 4.814 -7.173 1.00 0.00 H new ATOM 718 N ALA A 44 73.329 1.018 -5.934 1.00 0.00 N ATOM 719 CA ALA A 44 72.043 0.308 -6.006 1.00 0.00 C ATOM 720 C ALA A 44 71.317 0.350 -4.667 1.00 0.00 C ATOM 721 O ALA A 44 70.225 0.870 -4.573 1.00 0.00 O ATOM 722 CB ALA A 44 72.386 -1.129 -6.400 1.00 0.00 C ATOM 0 H ALA A 44 74.152 0.456 -6.152 1.00 0.00 H new ATOM 0 HA ALA A 44 71.372 0.771 -6.729 1.00 0.00 H new ATOM 0 HB1 ALA A 44 71.470 -1.715 -6.472 1.00 0.00 H new ATOM 0 HB2 ALA A 44 72.894 -1.130 -7.364 1.00 0.00 H new ATOM 0 HB3 ALA A 44 73.039 -1.567 -5.645 1.00 0.00 H new ATOM 728 N LYS A 45 71.900 -0.189 -3.633 1.00 0.00 N ATOM 729 CA LYS A 45 71.208 -0.164 -2.315 1.00 0.00 C ATOM 730 C LYS A 45 70.591 1.214 -2.090 1.00 0.00 C ATOM 731 O LYS A 45 69.588 1.352 -1.423 1.00 0.00 O ATOM 732 CB LYS A 45 72.285 -0.436 -1.269 1.00 0.00 C ATOM 733 CG LYS A 45 71.699 -0.161 0.118 1.00 0.00 C ATOM 734 CD LYS A 45 72.628 -0.733 1.189 1.00 0.00 C ATOM 735 CE LYS A 45 72.266 -2.198 1.445 1.00 0.00 C ATOM 736 NZ LYS A 45 73.398 -2.982 0.872 1.00 0.00 N ATOM 0 H LYS A 45 72.815 -0.641 -3.642 1.00 0.00 H new ATOM 0 HA LYS A 45 70.408 -0.902 -2.260 1.00 0.00 H new ATOM 0 HB2 LYS A 45 72.627 -1.469 -1.337 1.00 0.00 H new ATOM 0 HB3 LYS A 45 73.153 0.199 -1.446 1.00 0.00 H new ATOM 0 HG2 LYS A 45 71.575 0.912 0.265 1.00 0.00 H new ATOM 0 HG3 LYS A 45 70.710 -0.611 0.202 1.00 0.00 H new ATOM 0 HD2 LYS A 45 73.666 -0.654 0.866 1.00 0.00 H new ATOM 0 HD3 LYS A 45 72.537 -0.158 2.110 1.00 0.00 H new ATOM 0 HE2 LYS A 45 72.149 -2.395 2.511 1.00 0.00 H new ATOM 0 HE3 LYS A 45 71.322 -2.461 0.967 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 73.041 -3.883 0.495 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 73.844 -2.439 0.105 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 74.100 -3.172 1.615 1.00 0.00 H new ATOM 750 N PHE A 46 71.184 2.235 -2.650 1.00 0.00 N ATOM 751 CA PHE A 46 70.632 3.607 -2.474 1.00 0.00 C ATOM 752 C PHE A 46 69.321 3.752 -3.249 1.00 0.00 C ATOM 753 O PHE A 46 68.323 4.184 -2.707 1.00 0.00 O ATOM 754 CB PHE A 46 71.703 4.549 -3.030 1.00 0.00 C ATOM 755 CG PHE A 46 73.048 4.211 -2.426 1.00 0.00 C ATOM 756 CD1 PHE A 46 73.125 3.453 -1.249 1.00 0.00 C ATOM 757 CD2 PHE A 46 74.221 4.658 -3.045 1.00 0.00 C ATOM 758 CE1 PHE A 46 74.373 3.146 -0.693 1.00 0.00 C ATOM 759 CE2 PHE A 46 75.469 4.351 -2.489 1.00 0.00 C ATOM 760 CZ PHE A 46 75.545 3.595 -1.313 1.00 0.00 C ATOM 0 H PHE A 46 72.027 2.177 -3.221 1.00 0.00 H new ATOM 0 HA PHE A 46 70.407 3.830 -1.431 1.00 0.00 H new ATOM 0 HB2 PHE A 46 71.749 4.461 -4.115 1.00 0.00 H new ATOM 0 HB3 PHE A 46 71.443 5.583 -2.805 1.00 0.00 H new ATOM 0 HD1 PHE A 46 72.221 3.106 -0.771 1.00 0.00 H new ATOM 0 HD2 PHE A 46 74.164 5.240 -3.953 1.00 0.00 H new ATOM 0 HE1 PHE A 46 74.431 2.563 0.214 1.00 0.00 H new ATOM 0 HE2 PHE A 46 76.373 4.697 -2.967 1.00 0.00 H new ATOM 0 HZ PHE A 46 76.508 3.358 -0.884 1.00 0.00 H new ATOM 770 N LYS A 47 69.293 3.382 -4.505 1.00 0.00 N ATOM 771 CA LYS A 47 68.013 3.497 -5.261 1.00 0.00 C ATOM 772 C LYS A 47 67.204 2.215 -5.052 1.00 0.00 C ATOM 773 O LYS A 47 66.019 2.156 -5.313 1.00 0.00 O ATOM 774 CB LYS A 47 68.422 3.712 -6.730 1.00 0.00 C ATOM 775 CG LYS A 47 68.192 2.441 -7.556 1.00 0.00 C ATOM 776 CD LYS A 47 69.146 1.347 -7.082 1.00 0.00 C ATOM 777 CE LYS A 47 69.702 0.598 -8.298 1.00 0.00 C ATOM 778 NZ LYS A 47 68.519 -0.075 -8.903 1.00 0.00 N ATOM 0 H LYS A 47 70.086 3.012 -5.030 1.00 0.00 H new ATOM 0 HA LYS A 47 67.380 4.321 -4.931 1.00 0.00 H new ATOM 0 HB2 LYS A 47 67.847 4.535 -7.155 1.00 0.00 H new ATOM 0 HB3 LYS A 47 69.473 3.998 -6.781 1.00 0.00 H new ATOM 0 HG2 LYS A 47 67.159 2.108 -7.451 1.00 0.00 H new ATOM 0 HG3 LYS A 47 68.355 2.647 -8.614 1.00 0.00 H new ATOM 0 HD2 LYS A 47 69.961 1.784 -6.506 1.00 0.00 H new ATOM 0 HD3 LYS A 47 68.624 0.655 -6.421 1.00 0.00 H new ATOM 0 HE2 LYS A 47 70.172 1.283 -9.004 1.00 0.00 H new ATOM 0 HE3 LYS A 47 70.462 -0.126 -8.003 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 68.837 -0.857 -9.510 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 67.908 -0.448 -8.148 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 67.984 0.610 -9.474 1.00 0.00 H new ATOM 792 N GLU A 48 67.844 1.200 -4.544 1.00 0.00 N ATOM 793 CA GLU A 48 67.136 -0.072 -4.266 1.00 0.00 C ATOM 794 C GLU A 48 66.077 0.244 -3.238 1.00 0.00 C ATOM 795 O GLU A 48 64.988 -0.291 -3.230 1.00 0.00 O ATOM 796 CB GLU A 48 68.203 -0.979 -3.663 1.00 0.00 C ATOM 797 CG GLU A 48 69.002 -1.651 -4.779 1.00 0.00 C ATOM 798 CD GLU A 48 68.218 -2.845 -5.328 1.00 0.00 C ATOM 799 OE1 GLU A 48 67.034 -2.927 -5.052 1.00 0.00 O ATOM 800 OE2 GLU A 48 68.818 -3.655 -6.015 1.00 0.00 O ATOM 0 H GLU A 48 68.836 1.201 -4.309 1.00 0.00 H new ATOM 0 HA GLU A 48 66.670 -0.535 -5.136 1.00 0.00 H new ATOM 0 HB2 GLU A 48 68.869 -0.398 -3.025 1.00 0.00 H new ATOM 0 HB3 GLU A 48 67.736 -1.735 -3.031 1.00 0.00 H new ATOM 0 HG2 GLU A 48 69.201 -0.936 -5.578 1.00 0.00 H new ATOM 0 HG3 GLU A 48 69.968 -1.982 -4.399 1.00 0.00 H new ATOM 807 N ILE A 49 66.416 1.156 -2.386 1.00 0.00 N ATOM 808 CA ILE A 49 65.472 1.604 -1.339 1.00 0.00 C ATOM 809 C ILE A 49 64.263 2.221 -2.017 1.00 0.00 C ATOM 810 O ILE A 49 63.131 1.853 -1.779 1.00 0.00 O ATOM 811 CB ILE A 49 66.243 2.676 -0.582 1.00 0.00 C ATOM 812 CG1 ILE A 49 67.431 2.032 0.129 1.00 0.00 C ATOM 813 CG2 ILE A 49 65.334 3.354 0.436 1.00 0.00 C ATOM 814 CD1 ILE A 49 68.592 3.026 0.203 1.00 0.00 C ATOM 0 H ILE A 49 67.324 1.619 -2.370 1.00 0.00 H new ATOM 0 HA ILE A 49 65.127 0.802 -0.687 1.00 0.00 H new ATOM 0 HB ILE A 49 66.602 3.428 -1.285 1.00 0.00 H new ATOM 0 HG12 ILE A 49 67.141 1.722 1.133 1.00 0.00 H new ATOM 0 HG13 ILE A 49 67.743 1.134 -0.404 1.00 0.00 H new ATOM 0 HG21 ILE A 49 65.895 4.119 0.972 1.00 0.00 H new ATOM 0 HG22 ILE A 49 64.492 3.816 -0.079 1.00 0.00 H new ATOM 0 HG23 ILE A 49 64.964 2.613 1.144 1.00 0.00 H new ATOM 0 HD11 ILE A 49 69.437 2.561 0.711 1.00 0.00 H new ATOM 0 HD12 ILE A 49 68.889 3.314 -0.805 1.00 0.00 H new ATOM 0 HD13 ILE A 49 68.278 3.911 0.756 1.00 0.00 H new ATOM 826 N LYS A 50 64.515 3.155 -2.884 1.00 0.00 N ATOM 827 CA LYS A 50 63.397 3.813 -3.611 1.00 0.00 C ATOM 828 C LYS A 50 62.459 2.744 -4.167 1.00 0.00 C ATOM 829 O LYS A 50 61.252 2.870 -4.112 1.00 0.00 O ATOM 830 CB LYS A 50 64.065 4.595 -4.742 1.00 0.00 C ATOM 831 CG LYS A 50 63.030 5.483 -5.436 1.00 0.00 C ATOM 832 CD LYS A 50 63.456 5.724 -6.884 1.00 0.00 C ATOM 833 CE LYS A 50 63.302 7.208 -7.224 1.00 0.00 C ATOM 834 NZ LYS A 50 64.103 7.403 -8.464 1.00 0.00 N ATOM 0 H LYS A 50 65.447 3.493 -3.122 1.00 0.00 H new ATOM 0 HA LYS A 50 62.802 4.467 -2.974 1.00 0.00 H new ATOM 0 HB2 LYS A 50 64.875 5.206 -4.345 1.00 0.00 H new ATOM 0 HB3 LYS A 50 64.508 3.906 -5.461 1.00 0.00 H new ATOM 0 HG2 LYS A 50 62.050 5.007 -5.408 1.00 0.00 H new ATOM 0 HG3 LYS A 50 62.938 6.433 -4.910 1.00 0.00 H new ATOM 0 HD2 LYS A 50 64.491 5.414 -7.026 1.00 0.00 H new ATOM 0 HD3 LYS A 50 62.847 5.121 -7.558 1.00 0.00 H new ATOM 0 HE2 LYS A 50 62.256 7.470 -7.384 1.00 0.00 H new ATOM 0 HE3 LYS A 50 63.668 7.839 -6.414 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 64.047 8.398 -8.761 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 65.095 7.152 -8.279 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 63.727 6.795 -9.219 1.00 0.00 H new ATOM 848 N GLU A 51 63.004 1.682 -4.691 1.00 0.00 N ATOM 849 CA GLU A 51 62.137 0.604 -5.233 1.00 0.00 C ATOM 850 C GLU A 51 61.053 0.259 -4.213 1.00 0.00 C ATOM 851 O GLU A 51 59.943 -0.052 -4.572 1.00 0.00 O ATOM 852 CB GLU A 51 63.066 -0.592 -5.450 1.00 0.00 C ATOM 853 CG GLU A 51 62.279 -1.740 -6.081 1.00 0.00 C ATOM 854 CD GLU A 51 63.111 -2.383 -7.192 1.00 0.00 C ATOM 855 OE1 GLU A 51 63.980 -3.177 -6.872 1.00 0.00 O ATOM 856 OE2 GLU A 51 62.867 -2.069 -8.345 1.00 0.00 O ATOM 0 H GLU A 51 64.008 1.516 -4.766 1.00 0.00 H new ATOM 0 HA GLU A 51 61.638 0.897 -6.157 1.00 0.00 H new ATOM 0 HB2 GLU A 51 63.897 -0.308 -6.096 1.00 0.00 H new ATOM 0 HB3 GLU A 51 63.495 -0.910 -4.500 1.00 0.00 H new ATOM 0 HG2 GLU A 51 62.030 -2.483 -5.323 1.00 0.00 H new ATOM 0 HG3 GLU A 51 61.337 -1.369 -6.486 1.00 0.00 H new ATOM 863 N ALA A 52 61.373 0.322 -2.946 1.00 0.00 N ATOM 864 CA ALA A 52 60.369 -0.001 -1.882 1.00 0.00 C ATOM 865 C ALA A 52 58.966 0.456 -2.296 1.00 0.00 C ATOM 866 O ALA A 52 57.979 -0.176 -1.978 1.00 0.00 O ATOM 867 CB ALA A 52 60.857 0.774 -0.662 1.00 0.00 C ATOM 0 H ALA A 52 62.295 0.586 -2.598 1.00 0.00 H new ATOM 0 HA ALA A 52 60.291 -1.072 -1.693 1.00 0.00 H new ATOM 0 HB1 ALA A 52 60.181 0.599 0.175 1.00 0.00 H new ATOM 0 HB2 ALA A 52 61.859 0.439 -0.395 1.00 0.00 H new ATOM 0 HB3 ALA A 52 60.880 1.839 -0.893 1.00 0.00 H new ATOM 873 N TYR A 53 58.867 1.530 -3.028 1.00 0.00 N ATOM 874 CA TYR A 53 57.522 2.000 -3.480 1.00 0.00 C ATOM 875 C TYR A 53 56.822 0.883 -4.248 1.00 0.00 C ATOM 876 O TYR A 53 55.622 0.880 -4.420 1.00 0.00 O ATOM 877 CB TYR A 53 57.824 3.223 -4.340 1.00 0.00 C ATOM 878 CG TYR A 53 58.699 4.137 -3.515 1.00 0.00 C ATOM 879 CD1 TYR A 53 58.519 4.185 -2.128 1.00 0.00 C ATOM 880 CD2 TYR A 53 59.699 4.904 -4.116 1.00 0.00 C ATOM 881 CE1 TYR A 53 59.330 4.995 -1.338 1.00 0.00 C ATOM 882 CE2 TYR A 53 60.515 5.721 -3.323 1.00 0.00 C ATOM 883 CZ TYR A 53 60.332 5.767 -1.934 1.00 0.00 C ATOM 884 OH TYR A 53 61.139 6.570 -1.157 1.00 0.00 O ATOM 0 H TYR A 53 59.654 2.103 -3.333 1.00 0.00 H new ATOM 0 HA TYR A 53 56.843 2.260 -2.668 1.00 0.00 H new ATOM 0 HB2 TYR A 53 58.330 2.932 -5.260 1.00 0.00 H new ATOM 0 HB3 TYR A 53 56.903 3.728 -4.629 1.00 0.00 H new ATOM 0 HD1 TYR A 53 57.745 3.589 -1.667 1.00 0.00 H new ATOM 0 HD2 TYR A 53 59.843 4.868 -5.186 1.00 0.00 H new ATOM 0 HE1 TYR A 53 59.186 5.027 -0.268 1.00 0.00 H new ATOM 0 HE2 TYR A 53 61.288 6.318 -3.784 1.00 0.00 H new ATOM 0 HH TYR A 53 61.783 7.037 -1.729 1.00 0.00 H new ATOM 894 N GLU A 54 57.567 -0.102 -4.651 1.00 0.00 N ATOM 895 CA GLU A 54 56.964 -1.268 -5.341 1.00 0.00 C ATOM 896 C GLU A 54 56.423 -2.224 -4.284 1.00 0.00 C ATOM 897 O GLU A 54 56.139 -3.370 -4.558 1.00 0.00 O ATOM 898 CB GLU A 54 58.130 -1.928 -6.058 1.00 0.00 C ATOM 899 CG GLU A 54 59.149 -2.390 -5.016 1.00 0.00 C ATOM 900 CD GLU A 54 59.194 -3.919 -4.980 1.00 0.00 C ATOM 901 OE1 GLU A 54 58.205 -4.530 -5.353 1.00 0.00 O ATOM 902 OE2 GLU A 54 60.215 -4.452 -4.580 1.00 0.00 O ATOM 0 H GLU A 54 58.579 -0.149 -4.530 1.00 0.00 H new ATOM 0 HA GLU A 54 56.155 -0.996 -6.019 1.00 0.00 H new ATOM 0 HB2 GLU A 54 57.780 -2.776 -6.646 1.00 0.00 H new ATOM 0 HB3 GLU A 54 58.592 -1.227 -6.753 1.00 0.00 H new ATOM 0 HG2 GLU A 54 60.135 -1.993 -5.257 1.00 0.00 H new ATOM 0 HG3 GLU A 54 58.881 -2.001 -4.034 1.00 0.00 H new ATOM 909 N VAL A 55 56.329 -1.769 -3.063 1.00 0.00 N ATOM 910 CA VAL A 55 55.858 -2.650 -1.971 1.00 0.00 C ATOM 911 C VAL A 55 55.005 -1.846 -0.966 1.00 0.00 C ATOM 912 O VAL A 55 53.942 -2.268 -0.552 1.00 0.00 O ATOM 913 CB VAL A 55 57.168 -3.153 -1.347 1.00 0.00 C ATOM 914 CG1 VAL A 55 57.268 -2.722 0.108 1.00 0.00 C ATOM 915 CG2 VAL A 55 57.227 -4.674 -1.425 1.00 0.00 C ATOM 0 H VAL A 55 56.561 -0.817 -2.780 1.00 0.00 H new ATOM 0 HA VAL A 55 55.217 -3.467 -2.302 1.00 0.00 H new ATOM 0 HB VAL A 55 58.001 -2.722 -1.903 1.00 0.00 H new ATOM 0 HG11 VAL A 55 58.203 -3.088 0.532 1.00 0.00 H new ATOM 0 HG12 VAL A 55 57.244 -1.634 0.168 1.00 0.00 H new ATOM 0 HG13 VAL A 55 56.429 -3.135 0.668 1.00 0.00 H new ATOM 0 HG21 VAL A 55 58.158 -5.025 -0.981 1.00 0.00 H new ATOM 0 HG22 VAL A 55 56.383 -5.099 -0.882 1.00 0.00 H new ATOM 0 HG23 VAL A 55 57.182 -4.987 -2.468 1.00 0.00 H new ATOM 925 N LEU A 56 55.476 -0.711 -0.544 1.00 0.00 N ATOM 926 CA LEU A 56 54.688 0.084 0.449 1.00 0.00 C ATOM 927 C LEU A 56 53.707 1.065 -0.217 1.00 0.00 C ATOM 928 O LEU A 56 52.817 1.577 0.431 1.00 0.00 O ATOM 929 CB LEU A 56 55.725 0.851 1.258 1.00 0.00 C ATOM 930 CG LEU A 56 56.629 1.629 0.311 1.00 0.00 C ATOM 931 CD1 LEU A 56 56.467 3.123 0.583 1.00 0.00 C ATOM 932 CD2 LEU A 56 58.078 1.201 0.554 1.00 0.00 C ATOM 0 H LEU A 56 56.362 -0.297 -0.836 1.00 0.00 H new ATOM 0 HA LEU A 56 54.071 -0.575 1.060 1.00 0.00 H new ATOM 0 HB2 LEU A 56 55.231 1.533 1.950 1.00 0.00 H new ATOM 0 HB3 LEU A 56 56.317 0.161 1.859 1.00 0.00 H new ATOM 0 HG LEU A 56 56.362 1.426 -0.726 1.00 0.00 H new ATOM 0 HD11 LEU A 56 57.111 3.688 -0.091 1.00 0.00 H new ATOM 0 HD12 LEU A 56 55.429 3.412 0.420 1.00 0.00 H new ATOM 0 HD13 LEU A 56 56.745 3.337 1.615 1.00 0.00 H new ATOM 0 HD21 LEU A 56 58.737 1.751 -0.118 1.00 0.00 H new ATOM 0 HD22 LEU A 56 58.352 1.415 1.587 1.00 0.00 H new ATOM 0 HD23 LEU A 56 58.178 0.132 0.366 1.00 0.00 H new ATOM 944 N THR A 57 53.859 1.362 -1.480 1.00 0.00 N ATOM 945 CA THR A 57 52.917 2.344 -2.108 1.00 0.00 C ATOM 946 C THR A 57 51.870 1.650 -2.995 1.00 0.00 C ATOM 947 O THR A 57 51.381 2.226 -3.947 1.00 0.00 O ATOM 948 CB THR A 57 53.794 3.288 -2.943 1.00 0.00 C ATOM 949 OG1 THR A 57 54.188 2.638 -4.141 1.00 0.00 O ATOM 950 CG2 THR A 57 55.039 3.700 -2.145 1.00 0.00 C ATOM 0 H THR A 57 54.577 0.979 -2.096 1.00 0.00 H new ATOM 0 HA THR A 57 52.352 2.879 -1.344 1.00 0.00 H new ATOM 0 HB THR A 57 53.219 4.182 -3.187 1.00 0.00 H new ATOM 0 HG1 THR A 57 54.805 1.907 -3.929 1.00 0.00 H new ATOM 0 HG21 THR A 57 55.653 4.369 -2.748 1.00 0.00 H new ATOM 0 HG22 THR A 57 54.733 4.212 -1.232 1.00 0.00 H new ATOM 0 HG23 THR A 57 55.616 2.812 -1.887 1.00 0.00 H new ATOM 958 N ASP A 58 51.501 0.434 -2.687 1.00 0.00 N ATOM 959 CA ASP A 58 50.466 -0.258 -3.516 1.00 0.00 C ATOM 960 C ASP A 58 49.704 -1.252 -2.671 1.00 0.00 C ATOM 961 O ASP A 58 50.260 -2.161 -2.090 1.00 0.00 O ATOM 962 CB ASP A 58 51.227 -0.960 -4.635 1.00 0.00 C ATOM 963 CG ASP A 58 50.778 -0.402 -5.987 1.00 0.00 C ATOM 964 OD1 ASP A 58 50.633 0.806 -6.089 1.00 0.00 O ATOM 965 OD2 ASP A 58 50.587 -1.191 -6.897 1.00 0.00 O ATOM 0 H ASP A 58 51.867 -0.108 -1.904 1.00 0.00 H new ATOM 0 HA ASP A 58 49.734 0.441 -3.921 1.00 0.00 H new ATOM 0 HB2 ASP A 58 52.299 -0.813 -4.507 1.00 0.00 H new ATOM 0 HB3 ASP A 58 51.045 -2.034 -4.595 1.00 0.00 H new ATOM 970 N SER A 59 48.426 -1.059 -2.590 1.00 0.00 N ATOM 971 CA SER A 59 47.588 -1.954 -1.769 1.00 0.00 C ATOM 972 C SER A 59 48.029 -3.410 -1.920 1.00 0.00 C ATOM 973 O SER A 59 48.189 -4.114 -0.946 1.00 0.00 O ATOM 974 CB SER A 59 46.163 -1.757 -2.283 1.00 0.00 C ATOM 975 OG SER A 59 45.413 -2.944 -2.056 1.00 0.00 O ATOM 0 H SER A 59 47.922 -0.310 -3.064 1.00 0.00 H new ATOM 0 HA SER A 59 47.670 -1.722 -0.707 1.00 0.00 H new ATOM 0 HB2 SER A 59 45.694 -0.914 -1.775 1.00 0.00 H new ATOM 0 HB3 SER A 59 46.177 -1.520 -3.347 1.00 0.00 H new ATOM 0 HG SER A 59 44.498 -2.820 -2.383 1.00 0.00 H new ATOM 981 N GLN A 60 48.233 -3.868 -3.122 1.00 0.00 N ATOM 982 CA GLN A 60 48.669 -5.286 -3.303 1.00 0.00 C ATOM 983 C GLN A 60 50.089 -5.455 -2.761 1.00 0.00 C ATOM 984 O GLN A 60 50.460 -6.493 -2.251 1.00 0.00 O ATOM 985 CB GLN A 60 48.632 -5.535 -4.812 1.00 0.00 C ATOM 986 CG GLN A 60 49.415 -4.438 -5.540 1.00 0.00 C ATOM 987 CD GLN A 60 49.764 -4.913 -6.951 1.00 0.00 C ATOM 988 OE1 GLN A 60 49.202 -4.440 -7.919 1.00 0.00 O ATOM 989 NE2 GLN A 60 50.676 -5.833 -7.109 1.00 0.00 N ATOM 0 H GLN A 60 48.119 -3.331 -3.982 1.00 0.00 H new ATOM 0 HA GLN A 60 48.030 -5.990 -2.770 1.00 0.00 H new ATOM 0 HB2 GLN A 60 49.060 -6.511 -5.039 1.00 0.00 H new ATOM 0 HB3 GLN A 60 47.600 -5.550 -5.162 1.00 0.00 H new ATOM 0 HG2 GLN A 60 48.823 -3.524 -5.588 1.00 0.00 H new ATOM 0 HG3 GLN A 60 50.325 -4.199 -4.989 1.00 0.00 H new ATOM 0 HE21 GLN A 60 51.147 -6.229 -6.296 1.00 0.00 H new ATOM 0 HE22 GLN A 60 50.918 -6.156 -8.046 1.00 0.00 H new ATOM 998 N LYS A 61 50.872 -4.424 -2.866 1.00 0.00 N ATOM 999 CA LYS A 61 52.272 -4.466 -2.363 1.00 0.00 C ATOM 1000 C LYS A 61 52.275 -4.313 -0.840 1.00 0.00 C ATOM 1001 O LYS A 61 52.870 -5.099 -0.132 1.00 0.00 O ATOM 1002 CB LYS A 61 52.921 -3.286 -3.065 1.00 0.00 C ATOM 1003 CG LYS A 61 53.650 -3.775 -4.317 1.00 0.00 C ATOM 1004 CD LYS A 61 52.670 -4.502 -5.241 1.00 0.00 C ATOM 1005 CE LYS A 61 53.444 -5.452 -6.159 1.00 0.00 C ATOM 1006 NZ LYS A 61 53.266 -4.898 -7.531 1.00 0.00 N ATOM 0 H LYS A 61 50.598 -3.536 -3.287 1.00 0.00 H new ATOM 0 HA LYS A 61 52.799 -5.399 -2.564 1.00 0.00 H new ATOM 0 HB2 LYS A 61 52.164 -2.550 -3.336 1.00 0.00 H new ATOM 0 HB3 LYS A 61 53.622 -2.790 -2.393 1.00 0.00 H new ATOM 0 HG2 LYS A 61 54.098 -2.930 -4.840 1.00 0.00 H new ATOM 0 HG3 LYS A 61 54.463 -4.444 -4.037 1.00 0.00 H new ATOM 0 HD2 LYS A 61 51.943 -5.061 -4.651 1.00 0.00 H new ATOM 0 HD3 LYS A 61 52.110 -3.780 -5.836 1.00 0.00 H new ATOM 0 HE2 LYS A 61 54.498 -5.494 -5.884 1.00 0.00 H new ATOM 0 HE3 LYS A 61 53.057 -6.469 -6.091 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 53.006 -5.665 -8.184 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 52.512 -4.182 -7.521 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 54.155 -4.461 -7.847 1.00 0.00 H new ATOM 1020 N ARG A 62 51.583 -3.333 -0.325 1.00 0.00 N ATOM 1021 CA ARG A 62 51.520 -3.176 1.156 1.00 0.00 C ATOM 1022 C ARG A 62 50.653 -4.300 1.730 1.00 0.00 C ATOM 1023 O ARG A 62 50.597 -4.526 2.921 1.00 0.00 O ATOM 1024 CB ARG A 62 50.852 -1.831 1.385 1.00 0.00 C ATOM 1025 CG ARG A 62 49.421 -1.919 0.873 1.00 0.00 C ATOM 1026 CD ARG A 62 48.649 -0.664 1.290 1.00 0.00 C ATOM 1027 NE ARG A 62 49.527 0.471 0.893 1.00 0.00 N ATOM 1028 CZ ARG A 62 49.785 1.422 1.747 1.00 0.00 C ATOM 1029 NH1 ARG A 62 50.730 1.265 2.633 1.00 0.00 N ATOM 1030 NH2 ARG A 62 49.096 2.531 1.717 1.00 0.00 N ATOM 0 H ARG A 62 51.062 -2.639 -0.861 1.00 0.00 H new ATOM 0 HA ARG A 62 52.500 -3.223 1.632 1.00 0.00 H new ATOM 0 HB2 ARG A 62 50.862 -1.577 2.445 1.00 0.00 H new ATOM 0 HB3 ARG A 62 51.395 -1.043 0.863 1.00 0.00 H new ATOM 0 HG2 ARG A 62 49.418 -2.016 -0.213 1.00 0.00 H new ATOM 0 HG3 ARG A 62 48.934 -2.808 1.274 1.00 0.00 H new ATOM 0 HD2 ARG A 62 47.682 -0.610 0.790 1.00 0.00 H new ATOM 0 HD3 ARG A 62 48.454 -0.657 2.362 1.00 0.00 H new ATOM 0 HE ARG A 62 49.926 0.505 -0.045 1.00 0.00 H new ATOM 0 HH11 ARG A 62 51.267 0.398 2.658 1.00 0.00 H new ATOM 0 HH12 ARG A 62 50.932 2.009 3.301 1.00 0.00 H new ATOM 0 HH21 ARG A 62 48.356 2.653 1.026 1.00 0.00 H new ATOM 0 HH22 ARG A 62 49.298 3.275 2.385 1.00 0.00 H new ATOM 1044 N ALA A 63 49.995 -5.020 0.869 1.00 0.00 N ATOM 1045 CA ALA A 63 49.158 -6.163 1.322 1.00 0.00 C ATOM 1046 C ALA A 63 50.075 -7.368 1.383 1.00 0.00 C ATOM 1047 O ALA A 63 49.956 -8.231 2.227 1.00 0.00 O ATOM 1048 CB ALA A 63 48.085 -6.352 0.250 1.00 0.00 C ATOM 0 H ALA A 63 50.001 -4.864 -0.139 1.00 0.00 H new ATOM 0 HA ALA A 63 48.689 -6.012 2.294 1.00 0.00 H new ATOM 0 HB1 ALA A 63 47.435 -7.182 0.528 1.00 0.00 H new ATOM 0 HB2 ALA A 63 47.493 -5.441 0.163 1.00 0.00 H new ATOM 0 HB3 ALA A 63 48.561 -6.568 -0.707 1.00 0.00 H new ATOM 1054 N ALA A 64 51.041 -7.382 0.505 1.00 0.00 N ATOM 1055 CA ALA A 64 52.038 -8.473 0.509 1.00 0.00 C ATOM 1056 C ALA A 64 52.866 -8.276 1.766 1.00 0.00 C ATOM 1057 O ALA A 64 53.285 -9.206 2.424 1.00 0.00 O ATOM 1058 CB ALA A 64 52.872 -8.235 -0.747 1.00 0.00 C ATOM 0 H ALA A 64 51.177 -6.675 -0.218 1.00 0.00 H new ATOM 0 HA ALA A 64 51.627 -9.482 0.507 1.00 0.00 H new ATOM 0 HB1 ALA A 64 53.641 -9.003 -0.824 1.00 0.00 H new ATOM 0 HB2 ALA A 64 52.228 -8.277 -1.625 1.00 0.00 H new ATOM 0 HB3 ALA A 64 53.344 -7.254 -0.690 1.00 0.00 H new ATOM 1064 N TYR A 65 53.049 -7.034 2.112 1.00 0.00 N ATOM 1065 CA TYR A 65 53.788 -6.681 3.341 1.00 0.00 C ATOM 1066 C TYR A 65 53.256 -7.545 4.487 1.00 0.00 C ATOM 1067 O TYR A 65 53.986 -8.271 5.129 1.00 0.00 O ATOM 1068 CB TYR A 65 53.441 -5.192 3.527 1.00 0.00 C ATOM 1069 CG TYR A 65 53.200 -4.857 4.987 1.00 0.00 C ATOM 1070 CD1 TYR A 65 54.035 -5.381 5.982 1.00 0.00 C ATOM 1071 CD2 TYR A 65 52.126 -4.031 5.343 1.00 0.00 C ATOM 1072 CE1 TYR A 65 53.796 -5.081 7.328 1.00 0.00 C ATOM 1073 CE2 TYR A 65 51.887 -3.732 6.691 1.00 0.00 C ATOM 1074 CZ TYR A 65 52.723 -4.259 7.682 1.00 0.00 C ATOM 1075 OH TYR A 65 52.487 -3.966 9.010 1.00 0.00 O ATOM 0 H TYR A 65 52.707 -6.235 1.578 1.00 0.00 H new ATOM 0 HA TYR A 65 54.865 -6.845 3.304 1.00 0.00 H new ATOM 0 HB2 TYR A 65 54.253 -4.577 3.140 1.00 0.00 H new ATOM 0 HB3 TYR A 65 52.552 -4.949 2.945 1.00 0.00 H new ATOM 0 HD1 TYR A 65 54.864 -6.017 5.710 1.00 0.00 H new ATOM 0 HD2 TYR A 65 51.482 -3.624 4.578 1.00 0.00 H new ATOM 0 HE1 TYR A 65 54.442 -5.485 8.094 1.00 0.00 H new ATOM 0 HE2 TYR A 65 51.059 -3.096 6.965 1.00 0.00 H new ATOM 0 HH TYR A 65 51.522 -3.978 9.181 1.00 0.00 H new