USER MOD reduce.3.24.130724 H: found=0, std=0, add=579, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 579 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 7 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 9 LYS NZ :NH3+ -165:sc= -0.0279 (180deg=-0.153) USER MOD Single : A 10 CYS SG : rot 14:sc= -0.0955 USER MOD Single : A 12 LYS NZ :NH3+ 152:sc= 0 (180deg=-0.0442) USER MOD Single : A 17 HIS : no HE2:sc= -0.891 K(o=-0.89,f=-3.5!) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 20 CYS SG : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 29 CYS SG : rot -150:sc= -1.11 USER MOD Single : A 30 GLN : amide:sc= -0.0194 X(o=-0.019,f=0) USER MOD Single : A 35 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0234) USER MOD Single : A 37 CYS SG : rot 180:sc= -3.47! USER MOD Single : A 41 GLN : amide:sc= 0.253 X(o=0.25,f=-0.0045) USER MOD Single : A 47 SER OG : rot 70:sc= -1.66 USER MOD Single : A 50 CYS SG : rot -160:sc= -2.06! USER MOD Single : A 52 TYR OH : rot -61:sc= 0.00149 USER MOD Single : A 56 THR OG1 : rot 180:sc= -0.0774 USER MOD Single : A 59 THR OG1 : rot 170:sc= -2.08! USER MOD Single : A 62 CYS SG : rot 180:sc= 0 USER MOD Single : A 68 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 THR OG1 : rot 180:sc= 0 USER MOD Single : A 82 HIS : no HD1:sc= 0 X(o=0,f=-0.064) USER MOD Single : A 84 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 98 N GLN A 7 84.474 -0.407 -5.833 1.00 0.00 N ATOM 99 CA GLN A 7 83.847 0.937 -5.692 1.00 0.00 C ATOM 100 C GLN A 7 82.684 0.878 -4.699 1.00 0.00 C ATOM 101 O GLN A 7 81.973 -0.105 -4.631 1.00 0.00 O ATOM 102 CB GLN A 7 83.347 1.298 -7.091 1.00 0.00 C ATOM 103 CG GLN A 7 83.579 2.788 -7.338 1.00 0.00 C ATOM 104 CD GLN A 7 83.867 3.025 -8.821 1.00 0.00 C ATOM 105 OE1 GLN A 7 83.002 2.851 -9.656 1.00 0.00 O ATOM 106 NE2 GLN A 7 85.057 3.418 -9.186 1.00 0.00 N ATOM 0 HA GLN A 7 84.549 1.679 -5.312 1.00 0.00 H new ATOM 0 HB2 GLN A 7 83.871 0.707 -7.842 1.00 0.00 H new ATOM 0 HB3 GLN A 7 82.287 1.062 -7.183 1.00 0.00 H new ATOM 0 HG2 GLN A 7 82.702 3.358 -7.032 1.00 0.00 H new ATOM 0 HG3 GLN A 7 84.415 3.141 -6.734 1.00 0.00 H new ATOM 0 HE21 GLN A 7 85.783 3.564 -8.485 1.00 0.00 H new ATOM 0 HE22 GLN A 7 85.261 3.579 -10.172 1.00 0.00 H new ATOM 115 N PRO A 8 82.538 1.939 -3.956 1.00 0.00 N ATOM 116 CA PRO A 8 81.455 2.021 -2.944 1.00 0.00 C ATOM 117 C PRO A 8 80.094 2.217 -3.614 1.00 0.00 C ATOM 118 O PRO A 8 79.887 3.155 -4.360 1.00 0.00 O ATOM 119 CB PRO A 8 81.832 3.246 -2.115 1.00 0.00 C ATOM 120 CG PRO A 8 82.671 4.088 -3.025 1.00 0.00 C ATOM 121 CD PRO A 8 83.357 3.155 -3.988 1.00 0.00 C ATOM 0 HA PRO A 8 81.365 1.114 -2.346 1.00 0.00 H new ATOM 0 HB2 PRO A 8 80.945 3.786 -1.784 1.00 0.00 H new ATOM 0 HB3 PRO A 8 82.385 2.962 -1.220 1.00 0.00 H new ATOM 0 HG2 PRO A 8 82.053 4.808 -3.561 1.00 0.00 H new ATOM 0 HG3 PRO A 8 83.404 4.659 -2.454 1.00 0.00 H new ATOM 0 HD2 PRO A 8 83.401 3.579 -4.991 1.00 0.00 H new ATOM 0 HD3 PRO A 8 84.384 2.952 -3.683 1.00 0.00 H new ATOM 129 N LYS A 9 79.160 1.344 -3.349 1.00 0.00 N ATOM 130 CA LYS A 9 77.810 1.487 -3.965 1.00 0.00 C ATOM 131 C LYS A 9 76.989 2.512 -3.179 1.00 0.00 C ATOM 132 O LYS A 9 77.237 2.758 -2.015 1.00 0.00 O ATOM 133 CB LYS A 9 77.178 0.098 -3.865 1.00 0.00 C ATOM 134 CG LYS A 9 75.818 0.103 -4.565 1.00 0.00 C ATOM 135 CD LYS A 9 75.770 -1.028 -5.594 1.00 0.00 C ATOM 136 CE LYS A 9 75.550 -2.362 -4.879 1.00 0.00 C ATOM 137 NZ LYS A 9 76.799 -3.137 -5.119 1.00 0.00 N ATOM 0 H LYS A 9 79.273 0.539 -2.733 1.00 0.00 H new ATOM 0 HA LYS A 9 77.856 1.835 -4.997 1.00 0.00 H new ATOM 0 HB2 LYS A 9 77.832 -0.644 -4.323 1.00 0.00 H new ATOM 0 HB3 LYS A 9 77.059 -0.184 -2.819 1.00 0.00 H new ATOM 0 HG2 LYS A 9 75.020 -0.023 -3.833 1.00 0.00 H new ATOM 0 HG3 LYS A 9 75.653 1.062 -5.055 1.00 0.00 H new ATOM 0 HD2 LYS A 9 74.966 -0.850 -6.308 1.00 0.00 H new ATOM 0 HD3 LYS A 9 76.700 -1.057 -6.161 1.00 0.00 H new ATOM 0 HE2 LYS A 9 75.375 -2.215 -3.813 1.00 0.00 H new ATOM 0 HE3 LYS A 9 74.679 -2.884 -5.276 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 76.636 -4.138 -4.888 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 77.073 -3.053 -6.119 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 77.561 -2.762 -4.518 1.00 0.00 H new ATOM 151 N CYS A 10 76.015 3.118 -3.802 1.00 0.00 N ATOM 152 CA CYS A 10 75.192 4.129 -3.080 1.00 0.00 C ATOM 153 C CYS A 10 73.705 3.773 -3.170 1.00 0.00 C ATOM 154 O CYS A 10 73.259 3.151 -4.113 1.00 0.00 O ATOM 155 CB CYS A 10 75.473 5.450 -3.796 1.00 0.00 C ATOM 156 SG CYS A 10 74.782 6.818 -2.835 1.00 0.00 S ATOM 0 H CYS A 10 75.755 2.958 -4.775 1.00 0.00 H new ATOM 0 HA CYS A 10 75.438 4.178 -2.019 1.00 0.00 H new ATOM 0 HB2 CYS A 10 76.547 5.586 -3.922 1.00 0.00 H new ATOM 0 HB3 CYS A 10 75.035 5.435 -4.794 1.00 0.00 H new ATOM 0 HG CYS A 10 74.480 6.401 -1.641 1.00 0.00 H new ATOM 162 N VAL A 11 72.935 4.170 -2.193 1.00 0.00 N ATOM 163 CA VAL A 11 71.475 3.862 -2.216 1.00 0.00 C ATOM 164 C VAL A 11 70.683 5.020 -1.605 1.00 0.00 C ATOM 165 O VAL A 11 71.158 5.716 -0.729 1.00 0.00 O ATOM 166 CB VAL A 11 71.323 2.600 -1.365 1.00 0.00 C ATOM 167 CG1 VAL A 11 72.312 1.538 -1.847 1.00 0.00 C ATOM 168 CG2 VAL A 11 71.609 2.935 0.101 1.00 0.00 C ATOM 0 H VAL A 11 73.254 4.695 -1.379 1.00 0.00 H new ATOM 0 HA VAL A 11 71.098 3.718 -3.229 1.00 0.00 H new ATOM 0 HB VAL A 11 70.306 2.219 -1.459 1.00 0.00 H new ATOM 0 HG11 VAL A 11 72.204 0.639 -1.241 1.00 0.00 H new ATOM 0 HG12 VAL A 11 72.109 1.299 -2.891 1.00 0.00 H new ATOM 0 HG13 VAL A 11 73.329 1.919 -1.753 1.00 0.00 H new ATOM 0 HG21 VAL A 11 71.501 2.036 0.708 1.00 0.00 H new ATOM 0 HG22 VAL A 11 72.626 3.316 0.195 1.00 0.00 H new ATOM 0 HG23 VAL A 11 70.904 3.692 0.445 1.00 0.00 H new ATOM 178 N LYS A 12 69.477 5.235 -2.057 1.00 0.00 N ATOM 179 CA LYS A 12 68.660 6.350 -1.497 1.00 0.00 C ATOM 180 C LYS A 12 67.671 5.811 -0.459 1.00 0.00 C ATOM 181 O LYS A 12 66.641 5.261 -0.795 1.00 0.00 O ATOM 182 CB LYS A 12 67.918 6.939 -2.696 1.00 0.00 C ATOM 183 CG LYS A 12 68.867 7.840 -3.490 1.00 0.00 C ATOM 184 CD LYS A 12 68.505 9.306 -3.247 1.00 0.00 C ATOM 185 CE LYS A 12 69.786 10.140 -3.164 1.00 0.00 C ATOM 186 NZ LYS A 12 69.379 11.517 -3.565 1.00 0.00 N ATOM 0 H LYS A 12 69.023 4.688 -2.788 1.00 0.00 H new ATOM 0 HA LYS A 12 69.271 7.098 -0.992 1.00 0.00 H new ATOM 0 HB2 LYS A 12 67.541 6.139 -3.333 1.00 0.00 H new ATOM 0 HB3 LYS A 12 67.054 7.511 -2.358 1.00 0.00 H new ATOM 0 HG2 LYS A 12 69.898 7.655 -3.189 1.00 0.00 H new ATOM 0 HG3 LYS A 12 68.799 7.609 -4.553 1.00 0.00 H new ATOM 0 HD2 LYS A 12 67.870 9.674 -4.053 1.00 0.00 H new ATOM 0 HD3 LYS A 12 67.935 9.403 -2.323 1.00 0.00 H new ATOM 0 HE2 LYS A 12 70.199 10.129 -2.155 1.00 0.00 H new ATOM 0 HE3 LYS A 12 70.556 9.747 -3.828 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 70.004 12.211 -3.108 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 69.451 11.613 -4.598 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 68.397 11.689 -3.269 1.00 0.00 H new ATOM 200 N LEU A 13 67.979 5.965 0.800 1.00 0.00 N ATOM 201 CA LEU A 13 67.061 5.462 1.863 1.00 0.00 C ATOM 202 C LEU A 13 65.895 6.436 2.068 1.00 0.00 C ATOM 203 O LEU A 13 65.847 7.169 3.037 1.00 0.00 O ATOM 204 CB LEU A 13 67.924 5.384 3.124 1.00 0.00 C ATOM 205 CG LEU A 13 67.897 3.959 3.679 1.00 0.00 C ATOM 206 CD1 LEU A 13 68.941 3.105 2.956 1.00 0.00 C ATOM 207 CD2 LEU A 13 68.218 3.993 5.175 1.00 0.00 C ATOM 0 H LEU A 13 68.828 6.418 1.139 1.00 0.00 H new ATOM 0 HA LEU A 13 66.623 4.498 1.606 1.00 0.00 H new ATOM 0 HB2 LEU A 13 68.949 5.676 2.894 1.00 0.00 H new ATOM 0 HB3 LEU A 13 67.554 6.084 3.873 1.00 0.00 H new ATOM 0 HG LEU A 13 66.908 3.528 3.524 1.00 0.00 H new ATOM 0 HD11 LEU A 13 68.920 2.090 3.353 1.00 0.00 H new ATOM 0 HD12 LEU A 13 68.717 3.082 1.890 1.00 0.00 H new ATOM 0 HD13 LEU A 13 69.931 3.534 3.109 1.00 0.00 H new ATOM 0 HD21 LEU A 13 68.200 2.979 5.574 1.00 0.00 H new ATOM 0 HD22 LEU A 13 69.208 4.424 5.325 1.00 0.00 H new ATOM 0 HD23 LEU A 13 67.475 4.600 5.693 1.00 0.00 H new ATOM 219 N ARG A 14 64.952 6.444 1.165 1.00 0.00 N ATOM 220 CA ARG A 14 63.785 7.364 1.305 1.00 0.00 C ATOM 221 C ARG A 14 62.729 6.730 2.220 1.00 0.00 C ATOM 222 O ARG A 14 62.688 5.529 2.389 1.00 0.00 O ATOM 223 CB ARG A 14 63.255 7.529 -0.126 1.00 0.00 C ATOM 224 CG ARG A 14 61.782 7.946 -0.105 1.00 0.00 C ATOM 225 CD ARG A 14 61.655 9.363 0.457 1.00 0.00 C ATOM 226 NE ARG A 14 60.294 9.413 1.058 1.00 0.00 N ATOM 227 CZ ARG A 14 59.669 10.553 1.160 1.00 0.00 C ATOM 228 NH1 ARG A 14 59.863 11.312 2.203 1.00 0.00 N ATOM 229 NH2 ARG A 14 58.848 10.935 0.220 1.00 0.00 N ATOM 0 H ARG A 14 64.939 5.852 0.334 1.00 0.00 H new ATOM 0 HA ARG A 14 64.047 8.323 1.752 1.00 0.00 H new ATOM 0 HB2 ARG A 14 63.844 8.278 -0.655 1.00 0.00 H new ATOM 0 HB3 ARG A 14 63.367 6.592 -0.672 1.00 0.00 H new ATOM 0 HG2 ARG A 14 61.368 7.906 -1.113 1.00 0.00 H new ATOM 0 HG3 ARG A 14 61.206 7.250 0.504 1.00 0.00 H new ATOM 0 HD2 ARG A 14 62.424 9.563 1.203 1.00 0.00 H new ATOM 0 HD3 ARG A 14 61.769 10.111 -0.327 1.00 0.00 H new ATOM 0 HE ARG A 14 59.851 8.556 1.390 1.00 0.00 H new ATOM 0 HH11 ARG A 14 60.504 11.014 2.939 1.00 0.00 H new ATOM 0 HH12 ARG A 14 59.374 12.204 2.283 1.00 0.00 H new ATOM 0 HH21 ARG A 14 58.695 10.342 -0.595 1.00 0.00 H new ATOM 0 HH22 ARG A 14 58.360 11.827 0.301 1.00 0.00 H new ATOM 243 N ALA A 15 61.879 7.524 2.816 1.00 0.00 N ATOM 244 CA ALA A 15 60.837 6.945 3.718 1.00 0.00 C ATOM 245 C ALA A 15 59.474 7.594 3.456 1.00 0.00 C ATOM 246 O ALA A 15 59.317 8.794 3.555 1.00 0.00 O ATOM 247 CB ALA A 15 61.320 7.262 5.134 1.00 0.00 C ATOM 0 H ALA A 15 61.859 8.539 2.720 1.00 0.00 H new ATOM 0 HA ALA A 15 60.707 5.875 3.559 1.00 0.00 H new ATOM 0 HB1 ALA A 15 60.607 6.869 5.858 1.00 0.00 H new ATOM 0 HB2 ALA A 15 62.295 6.802 5.298 1.00 0.00 H new ATOM 0 HB3 ALA A 15 61.403 8.342 5.257 1.00 0.00 H new ATOM 253 N LEU A 16 58.485 6.806 3.124 1.00 0.00 N ATOM 254 CA LEU A 16 57.132 7.371 2.858 1.00 0.00 C ATOM 255 C LEU A 16 56.488 7.843 4.162 1.00 0.00 C ATOM 256 O LEU A 16 55.709 8.776 4.180 1.00 0.00 O ATOM 257 CB LEU A 16 56.331 6.214 2.261 1.00 0.00 C ATOM 258 CG LEU A 16 55.858 6.598 0.861 1.00 0.00 C ATOM 259 CD1 LEU A 16 55.212 5.385 0.189 1.00 0.00 C ATOM 260 CD2 LEU A 16 54.833 7.730 0.965 1.00 0.00 C ATOM 0 H LEU A 16 58.558 5.793 3.026 1.00 0.00 H new ATOM 0 HA LEU A 16 57.171 8.232 2.191 1.00 0.00 H new ATOM 0 HB2 LEU A 16 56.946 5.316 2.216 1.00 0.00 H new ATOM 0 HB3 LEU A 16 55.476 5.983 2.896 1.00 0.00 H new ATOM 0 HG LEU A 16 56.710 6.930 0.267 1.00 0.00 H new ATOM 0 HD11 LEU A 16 54.874 5.660 -0.810 1.00 0.00 H new ATOM 0 HD12 LEU A 16 55.941 4.578 0.117 1.00 0.00 H new ATOM 0 HD13 LEU A 16 54.360 5.052 0.781 1.00 0.00 H new ATOM 0 HD21 LEU A 16 54.494 8.006 -0.033 1.00 0.00 H new ATOM 0 HD22 LEU A 16 53.982 7.397 1.558 1.00 0.00 H new ATOM 0 HD23 LEU A 16 55.293 8.594 1.444 1.00 0.00 H new ATOM 272 N HIS A 17 56.807 7.206 5.251 1.00 0.00 N ATOM 273 CA HIS A 17 56.215 7.615 6.557 1.00 0.00 C ATOM 274 C HIS A 17 56.953 8.835 7.108 1.00 0.00 C ATOM 275 O HIS A 17 56.704 9.280 8.211 1.00 0.00 O ATOM 276 CB HIS A 17 56.411 6.408 7.474 1.00 0.00 C ATOM 277 CG HIS A 17 55.528 6.549 8.684 1.00 0.00 C ATOM 278 ND1 HIS A 17 55.821 7.426 9.715 1.00 0.00 N ATOM 279 CD2 HIS A 17 54.357 5.927 9.041 1.00 0.00 C ATOM 280 CE1 HIS A 17 54.846 7.311 10.636 1.00 0.00 C ATOM 281 NE2 HIS A 17 53.929 6.411 10.274 1.00 0.00 N ATOM 0 H HIS A 17 57.453 6.418 5.296 1.00 0.00 H new ATOM 0 HA HIS A 17 55.164 7.892 6.469 1.00 0.00 H new ATOM 0 HB2 HIS A 17 56.170 5.489 6.940 1.00 0.00 H new ATOM 0 HB3 HIS A 17 57.455 6.335 7.779 1.00 0.00 H new ATOM 0 HD1 HIS A 17 56.629 8.046 9.767 1.00 0.00 H new ATOM 0 HD2 HIS A 17 53.846 5.177 8.455 1.00 0.00 H new ATOM 0 HE1 HIS A 17 54.810 7.877 11.555 1.00 0.00 H new ATOM 289 N SER A 18 57.858 9.382 6.345 1.00 0.00 N ATOM 290 CA SER A 18 58.612 10.576 6.820 1.00 0.00 C ATOM 291 C SER A 18 58.521 11.697 5.784 1.00 0.00 C ATOM 292 O SER A 18 57.685 11.674 4.903 1.00 0.00 O ATOM 293 CB SER A 18 60.054 10.097 6.972 1.00 0.00 C ATOM 294 OG SER A 18 60.132 9.182 8.057 1.00 0.00 O ATOM 0 H SER A 18 58.108 9.054 5.412 1.00 0.00 H new ATOM 0 HA SER A 18 58.217 10.974 7.755 1.00 0.00 H new ATOM 0 HB2 SER A 18 60.389 9.618 6.052 1.00 0.00 H new ATOM 0 HB3 SER A 18 60.715 10.946 7.148 1.00 0.00 H new ATOM 0 HG SER A 18 61.056 8.871 8.157 1.00 0.00 H new ATOM 300 N ALA A 19 59.374 12.680 5.881 1.00 0.00 N ATOM 301 CA ALA A 19 59.332 13.799 4.899 1.00 0.00 C ATOM 302 C ALA A 19 60.709 13.992 4.259 1.00 0.00 C ATOM 303 O ALA A 19 61.101 15.094 3.930 1.00 0.00 O ATOM 304 CB ALA A 19 58.941 15.030 5.717 1.00 0.00 C ATOM 0 H ALA A 19 60.097 12.756 6.597 1.00 0.00 H new ATOM 0 HA ALA A 19 58.629 13.611 4.087 1.00 0.00 H new ATOM 0 HB1 ALA A 19 58.889 15.900 5.063 1.00 0.00 H new ATOM 0 HB2 ALA A 19 57.968 14.865 6.180 1.00 0.00 H new ATOM 0 HB3 ALA A 19 59.687 15.204 6.492 1.00 0.00 H new ATOM 310 N CYS A 20 61.449 12.930 4.081 1.00 0.00 N ATOM 311 CA CYS A 20 62.800 13.064 3.464 1.00 0.00 C ATOM 312 C CYS A 20 63.403 11.686 3.168 1.00 0.00 C ATOM 313 O CYS A 20 62.712 10.684 3.124 1.00 0.00 O ATOM 314 CB CYS A 20 63.640 13.800 4.508 1.00 0.00 C ATOM 315 SG CYS A 20 63.613 12.875 6.064 1.00 0.00 S ATOM 0 H CYS A 20 61.178 11.980 4.335 1.00 0.00 H new ATOM 0 HA CYS A 20 62.761 13.597 2.514 1.00 0.00 H new ATOM 0 HB2 CYS A 20 64.665 13.909 4.155 1.00 0.00 H new ATOM 0 HB3 CYS A 20 63.248 14.805 4.663 1.00 0.00 H new ATOM 0 HG CYS A 20 64.329 13.499 6.952 1.00 0.00 H new ATOM 321 N LYS A 21 64.691 11.635 2.963 1.00 0.00 N ATOM 322 CA LYS A 21 65.356 10.335 2.665 1.00 0.00 C ATOM 323 C LYS A 21 66.787 10.347 3.207 1.00 0.00 C ATOM 324 O LYS A 21 67.147 11.180 4.015 1.00 0.00 O ATOM 325 CB LYS A 21 65.361 10.235 1.140 1.00 0.00 C ATOM 326 CG LYS A 21 66.189 11.383 0.555 1.00 0.00 C ATOM 327 CD LYS A 21 65.304 12.242 -0.352 1.00 0.00 C ATOM 328 CE LYS A 21 65.827 12.174 -1.789 1.00 0.00 C ATOM 329 NZ LYS A 21 65.157 13.299 -2.497 1.00 0.00 N ATOM 0 H LYS A 21 65.314 12.442 2.989 1.00 0.00 H new ATOM 0 HA LYS A 21 64.845 9.489 3.126 1.00 0.00 H new ATOM 0 HB2 LYS A 21 65.778 9.277 0.829 1.00 0.00 H new ATOM 0 HB3 LYS A 21 64.341 10.278 0.759 1.00 0.00 H new ATOM 0 HG2 LYS A 21 66.604 11.992 1.358 1.00 0.00 H new ATOM 0 HG3 LYS A 21 67.031 10.986 -0.012 1.00 0.00 H new ATOM 0 HD2 LYS A 21 64.273 11.889 -0.312 1.00 0.00 H new ATOM 0 HD3 LYS A 21 65.301 13.275 -0.003 1.00 0.00 H new ATOM 0 HE2 LYS A 21 66.912 12.279 -1.820 1.00 0.00 H new ATOM 0 HE3 LYS A 21 65.586 11.217 -2.252 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 65.466 13.317 -3.490 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 64.126 13.169 -2.458 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 65.410 14.198 -2.039 1.00 0.00 H new ATOM 343 N PHE A 22 67.610 9.433 2.769 1.00 0.00 N ATOM 344 CA PHE A 22 69.016 9.402 3.263 1.00 0.00 C ATOM 345 C PHE A 22 69.924 8.700 2.249 1.00 0.00 C ATOM 346 O PHE A 22 70.123 7.504 2.305 1.00 0.00 O ATOM 347 CB PHE A 22 68.964 8.614 4.571 1.00 0.00 C ATOM 348 CG PHE A 22 70.371 8.374 5.067 1.00 0.00 C ATOM 349 CD1 PHE A 22 71.352 9.356 4.885 1.00 0.00 C ATOM 350 CD2 PHE A 22 70.693 7.172 5.707 1.00 0.00 C ATOM 351 CE1 PHE A 22 72.657 9.135 5.343 1.00 0.00 C ATOM 352 CE2 PHE A 22 71.998 6.952 6.165 1.00 0.00 C ATOM 353 CZ PHE A 22 72.980 7.933 5.983 1.00 0.00 C ATOM 0 H PHE A 22 67.370 8.708 2.092 1.00 0.00 H new ATOM 0 HA PHE A 22 69.420 10.404 3.407 1.00 0.00 H new ATOM 0 HB2 PHE A 22 68.392 9.165 5.318 1.00 0.00 H new ATOM 0 HB3 PHE A 22 68.454 7.663 4.416 1.00 0.00 H new ATOM 0 HD1 PHE A 22 71.103 10.284 4.392 1.00 0.00 H new ATOM 0 HD2 PHE A 22 69.936 6.415 5.848 1.00 0.00 H new ATOM 0 HE1 PHE A 22 73.414 9.892 5.202 1.00 0.00 H new ATOM 0 HE2 PHE A 22 72.247 6.025 6.659 1.00 0.00 H new ATOM 0 HZ PHE A 22 73.986 7.762 6.336 1.00 0.00 H new ATOM 363 N GLY A 23 70.479 9.436 1.326 1.00 0.00 N ATOM 364 CA GLY A 23 71.378 8.809 0.316 1.00 0.00 C ATOM 365 C GLY A 23 72.637 8.297 1.015 1.00 0.00 C ATOM 366 O GLY A 23 73.573 9.035 1.249 1.00 0.00 O ATOM 0 H GLY A 23 70.349 10.443 1.227 1.00 0.00 H new ATOM 0 HA2 GLY A 23 70.866 7.987 -0.185 1.00 0.00 H new ATOM 0 HA3 GLY A 23 71.644 9.535 -0.453 1.00 0.00 H new ATOM 370 N VAL A 24 72.666 7.038 1.359 1.00 0.00 N ATOM 371 CA VAL A 24 73.865 6.485 2.052 1.00 0.00 C ATOM 372 C VAL A 24 74.684 5.615 1.092 1.00 0.00 C ATOM 373 O VAL A 24 74.157 5.032 0.165 1.00 0.00 O ATOM 374 CB VAL A 24 73.298 5.652 3.210 1.00 0.00 C ATOM 375 CG1 VAL A 24 72.880 4.264 2.713 1.00 0.00 C ATOM 376 CG2 VAL A 24 74.365 5.505 4.296 1.00 0.00 C ATOM 0 H VAL A 24 71.914 6.370 1.191 1.00 0.00 H new ATOM 0 HA VAL A 24 74.539 7.265 2.407 1.00 0.00 H new ATOM 0 HB VAL A 24 72.422 6.158 3.616 1.00 0.00 H new ATOM 0 HG11 VAL A 24 72.480 3.685 3.545 1.00 0.00 H new ATOM 0 HG12 VAL A 24 72.116 4.368 1.943 1.00 0.00 H new ATOM 0 HG13 VAL A 24 73.747 3.750 2.297 1.00 0.00 H new ATOM 0 HG21 VAL A 24 73.966 4.914 5.120 1.00 0.00 H new ATOM 0 HG22 VAL A 24 75.240 5.005 3.881 1.00 0.00 H new ATOM 0 HG23 VAL A 24 74.650 6.491 4.662 1.00 0.00 H new ATOM 386 N ALA A 25 75.968 5.524 1.309 1.00 0.00 N ATOM 387 CA ALA A 25 76.819 4.689 0.412 1.00 0.00 C ATOM 388 C ALA A 25 77.764 3.819 1.245 1.00 0.00 C ATOM 389 O ALA A 25 78.000 4.081 2.408 1.00 0.00 O ATOM 390 CB ALA A 25 77.616 5.688 -0.428 1.00 0.00 C ATOM 0 H ALA A 25 76.465 5.991 2.068 1.00 0.00 H new ATOM 0 HA ALA A 25 76.227 4.017 -0.209 1.00 0.00 H new ATOM 0 HB1 ALA A 25 78.268 5.148 -1.115 1.00 0.00 H new ATOM 0 HB2 ALA A 25 76.929 6.315 -0.997 1.00 0.00 H new ATOM 0 HB3 ALA A 25 78.220 6.315 0.228 1.00 0.00 H new ATOM 396 N ALA A 26 78.307 2.788 0.659 1.00 0.00 N ATOM 397 CA ALA A 26 79.237 1.906 1.423 1.00 0.00 C ATOM 398 C ALA A 26 79.776 0.789 0.524 1.00 0.00 C ATOM 399 O ALA A 26 79.067 0.248 -0.302 1.00 0.00 O ATOM 400 CB ALA A 26 78.392 1.322 2.555 1.00 0.00 C ATOM 0 H ALA A 26 78.149 2.518 -0.312 1.00 0.00 H new ATOM 0 HA ALA A 26 80.102 2.452 1.799 1.00 0.00 H new ATOM 0 HB1 ALA A 26 79.007 0.660 3.164 1.00 0.00 H new ATOM 0 HB2 ALA A 26 78.006 2.131 3.175 1.00 0.00 H new ATOM 0 HB3 ALA A 26 77.559 0.758 2.134 1.00 0.00 H new ATOM 406 N ARG A 27 81.023 0.439 0.680 1.00 0.00 N ATOM 407 CA ARG A 27 81.605 -0.645 -0.163 1.00 0.00 C ATOM 408 C ARG A 27 80.674 -1.859 -0.170 1.00 0.00 C ATOM 409 O ARG A 27 80.114 -2.218 -1.187 1.00 0.00 O ATOM 410 CB ARG A 27 82.938 -0.991 0.502 1.00 0.00 C ATOM 411 CG ARG A 27 84.082 -0.718 -0.478 1.00 0.00 C ATOM 412 CD ARG A 27 84.981 0.388 0.079 1.00 0.00 C ATOM 413 NE ARG A 27 86.310 -0.257 0.270 1.00 0.00 N ATOM 414 CZ ARG A 27 86.646 -0.724 1.441 1.00 0.00 C ATOM 415 NH1 ARG A 27 86.620 0.056 2.486 1.00 0.00 N ATOM 416 NH2 ARG A 27 87.008 -1.972 1.566 1.00 0.00 N ATOM 0 H ARG A 27 81.665 0.856 1.354 1.00 0.00 H new ATOM 0 HA ARG A 27 81.738 -0.340 -1.201 1.00 0.00 H new ATOM 0 HB2 ARG A 27 83.070 -0.398 1.407 1.00 0.00 H new ATOM 0 HB3 ARG A 27 82.945 -2.038 0.804 1.00 0.00 H new ATOM 0 HG2 ARG A 27 84.662 -1.627 -0.638 1.00 0.00 H new ATOM 0 HG3 ARG A 27 83.681 -0.421 -1.447 1.00 0.00 H new ATOM 0 HD2 ARG A 27 85.046 1.229 -0.611 1.00 0.00 H new ATOM 0 HD3 ARG A 27 84.592 0.777 1.020 1.00 0.00 H new ATOM 0 HE ARG A 27 86.957 -0.334 -0.515 1.00 0.00 H new ATOM 0 HH11 ARG A 27 86.337 1.031 2.388 1.00 0.00 H new ATOM 0 HH12 ARG A 27 86.883 -0.309 3.402 1.00 0.00 H new ATOM 0 HH21 ARG A 27 87.028 -2.582 0.748 1.00 0.00 H new ATOM 0 HH22 ARG A 27 87.271 -2.338 2.481 1.00 0.00 H new ATOM 430 N SER A 28 80.501 -2.491 0.957 1.00 0.00 N ATOM 431 CA SER A 28 79.600 -3.678 1.013 1.00 0.00 C ATOM 432 C SER A 28 78.141 -3.220 1.088 1.00 0.00 C ATOM 433 O SER A 28 77.625 -2.933 2.150 1.00 0.00 O ATOM 434 CB SER A 28 79.998 -4.420 2.287 1.00 0.00 C ATOM 435 OG SER A 28 79.975 -5.820 2.041 1.00 0.00 O ATOM 0 H SER A 28 80.943 -2.238 1.841 1.00 0.00 H new ATOM 0 HA SER A 28 79.692 -4.313 0.132 1.00 0.00 H new ATOM 0 HB2 SER A 28 80.994 -4.111 2.606 1.00 0.00 H new ATOM 0 HB3 SER A 28 79.312 -4.170 3.097 1.00 0.00 H new ATOM 0 HG SER A 28 80.232 -6.300 2.856 1.00 0.00 H new ATOM 441 N CYS A 29 77.477 -3.145 -0.033 1.00 0.00 N ATOM 442 CA CYS A 29 76.052 -2.699 -0.032 1.00 0.00 C ATOM 443 C CYS A 29 75.297 -3.325 1.144 1.00 0.00 C ATOM 444 O CYS A 29 74.346 -2.765 1.651 1.00 0.00 O ATOM 445 CB CYS A 29 75.482 -3.196 -1.360 1.00 0.00 C ATOM 446 SG CYS A 29 75.554 -5.004 -1.408 1.00 0.00 S ATOM 0 H CYS A 29 77.859 -3.373 -0.951 1.00 0.00 H new ATOM 0 HA CYS A 29 75.960 -1.618 0.074 1.00 0.00 H new ATOM 0 HB2 CYS A 29 74.452 -2.859 -1.475 1.00 0.00 H new ATOM 0 HB3 CYS A 29 76.049 -2.777 -2.191 1.00 0.00 H new ATOM 0 HG CYS A 29 75.693 -5.400 -2.638 1.00 0.00 H new ATOM 452 N GLN A 30 75.713 -4.482 1.583 1.00 0.00 N ATOM 453 CA GLN A 30 75.017 -5.138 2.727 1.00 0.00 C ATOM 454 C GLN A 30 75.038 -4.223 3.953 1.00 0.00 C ATOM 455 O GLN A 30 74.199 -4.321 4.827 1.00 0.00 O ATOM 456 CB GLN A 30 75.816 -6.414 2.993 1.00 0.00 C ATOM 457 CG GLN A 30 75.108 -7.248 4.064 1.00 0.00 C ATOM 458 CD GLN A 30 76.035 -8.371 4.534 1.00 0.00 C ATOM 459 OE1 GLN A 30 75.751 -9.534 4.330 1.00 0.00 O ATOM 460 NE2 GLN A 30 77.139 -8.068 5.159 1.00 0.00 N ATOM 0 H GLN A 30 76.503 -5.001 1.200 1.00 0.00 H new ATOM 0 HA GLN A 30 73.970 -5.350 2.510 1.00 0.00 H new ATOM 0 HB2 GLN A 30 75.915 -6.992 2.074 1.00 0.00 H new ATOM 0 HB3 GLN A 30 76.824 -6.162 3.321 1.00 0.00 H new ATOM 0 HG2 GLN A 30 74.829 -6.616 4.907 1.00 0.00 H new ATOM 0 HG3 GLN A 30 74.186 -7.668 3.662 1.00 0.00 H new ATOM 0 HE21 GLN A 30 77.377 -7.091 5.330 1.00 0.00 H new ATOM 0 HE22 GLN A 30 77.765 -8.808 5.477 1.00 0.00 H new ATOM 469 N GLU A 31 75.991 -3.335 4.026 1.00 0.00 N ATOM 470 CA GLU A 31 76.067 -2.414 5.197 1.00 0.00 C ATOM 471 C GLU A 31 74.982 -1.339 5.101 1.00 0.00 C ATOM 472 O GLU A 31 74.294 -1.049 6.059 1.00 0.00 O ATOM 473 CB GLU A 31 77.457 -1.782 5.114 1.00 0.00 C ATOM 474 CG GLU A 31 78.149 -1.889 6.474 1.00 0.00 C ATOM 475 CD GLU A 31 78.700 -3.303 6.659 1.00 0.00 C ATOM 476 OE1 GLU A 31 79.768 -3.575 6.137 1.00 0.00 O ATOM 477 OE2 GLU A 31 78.044 -4.091 7.320 1.00 0.00 O ATOM 0 H GLU A 31 76.721 -3.207 3.325 1.00 0.00 H new ATOM 0 HA GLU A 31 75.911 -2.936 6.141 1.00 0.00 H new ATOM 0 HB2 GLU A 31 78.052 -2.285 4.351 1.00 0.00 H new ATOM 0 HB3 GLU A 31 77.375 -0.736 4.817 1.00 0.00 H new ATOM 0 HG2 GLU A 31 78.958 -1.161 6.540 1.00 0.00 H new ATOM 0 HG3 GLU A 31 77.444 -1.655 7.272 1.00 0.00 H new ATOM 484 N LEU A 32 74.828 -0.745 3.952 1.00 0.00 N ATOM 485 CA LEU A 32 73.790 0.313 3.793 1.00 0.00 C ATOM 486 C LEU A 32 72.399 -0.262 4.064 1.00 0.00 C ATOM 487 O LEU A 32 71.547 0.391 4.633 1.00 0.00 O ATOM 488 CB LEU A 32 73.904 0.769 2.338 1.00 0.00 C ATOM 489 CG LEU A 32 75.226 1.509 2.137 1.00 0.00 C ATOM 490 CD1 LEU A 32 75.218 2.207 0.777 1.00 0.00 C ATOM 491 CD2 LEU A 32 75.400 2.553 3.242 1.00 0.00 C ATOM 0 H LEU A 32 75.375 -0.945 3.115 1.00 0.00 H new ATOM 0 HA LEU A 32 73.935 1.137 4.492 1.00 0.00 H new ATOM 0 HB2 LEU A 32 73.852 -0.092 1.671 1.00 0.00 H new ATOM 0 HB3 LEU A 32 73.068 1.421 2.084 1.00 0.00 H new ATOM 0 HG LEU A 32 76.050 0.796 2.176 1.00 0.00 H new ATOM 0 HD11 LEU A 32 76.161 2.735 0.633 1.00 0.00 H new ATOM 0 HD12 LEU A 32 75.094 1.465 -0.012 1.00 0.00 H new ATOM 0 HD13 LEU A 32 74.394 2.919 0.738 1.00 0.00 H new ATOM 0 HD21 LEU A 32 76.343 3.081 3.099 1.00 0.00 H new ATOM 0 HD22 LEU A 32 74.576 3.265 3.203 1.00 0.00 H new ATOM 0 HD23 LEU A 32 75.405 2.058 4.213 1.00 0.00 H new ATOM 503 N LEU A 33 72.162 -1.481 3.665 1.00 0.00 N ATOM 504 CA LEU A 33 70.825 -2.092 3.909 1.00 0.00 C ATOM 505 C LEU A 33 70.607 -2.281 5.411 1.00 0.00 C ATOM 506 O LEU A 33 69.688 -1.736 5.988 1.00 0.00 O ATOM 507 CB LEU A 33 70.866 -3.443 3.195 1.00 0.00 C ATOM 508 CG LEU A 33 71.205 -3.232 1.719 1.00 0.00 C ATOM 509 CD1 LEU A 33 71.433 -4.588 1.049 1.00 0.00 C ATOM 510 CD2 LEU A 33 70.045 -2.510 1.028 1.00 0.00 C ATOM 0 H LEU A 33 72.833 -2.079 3.182 1.00 0.00 H new ATOM 0 HA LEU A 33 70.009 -1.469 3.542 1.00 0.00 H new ATOM 0 HB2 LEU A 33 71.610 -4.090 3.661 1.00 0.00 H new ATOM 0 HB3 LEU A 33 69.903 -3.945 3.289 1.00 0.00 H new ATOM 0 HG LEU A 33 72.110 -2.630 1.636 1.00 0.00 H new ATOM 0 HD11 LEU A 33 71.675 -4.438 -0.003 1.00 0.00 H new ATOM 0 HD12 LEU A 33 72.258 -5.103 1.541 1.00 0.00 H new ATOM 0 HD13 LEU A 33 70.529 -5.191 1.131 1.00 0.00 H new ATOM 0 HD21 LEU A 33 70.286 -2.359 -0.024 1.00 0.00 H new ATOM 0 HD22 LEU A 33 69.140 -3.113 1.111 1.00 0.00 H new ATOM 0 HD23 LEU A 33 69.882 -1.544 1.505 1.00 0.00 H new ATOM 522 N ARG A 34 71.453 -3.042 6.052 1.00 0.00 N ATOM 523 CA ARG A 34 71.296 -3.254 7.518 1.00 0.00 C ATOM 524 C ARG A 34 71.303 -1.907 8.238 1.00 0.00 C ATOM 525 O ARG A 34 70.293 -1.449 8.734 1.00 0.00 O ATOM 526 CB ARG A 34 72.507 -4.091 7.931 1.00 0.00 C ATOM 527 CG ARG A 34 72.116 -5.570 7.974 1.00 0.00 C ATOM 528 CD ARG A 34 71.834 -5.983 9.420 1.00 0.00 C ATOM 529 NE ARG A 34 70.349 -6.050 9.517 1.00 0.00 N ATOM 530 CZ ARG A 34 69.775 -6.269 10.670 1.00 0.00 C ATOM 531 NH1 ARG A 34 70.486 -6.277 11.765 1.00 0.00 N ATOM 532 NH2 ARG A 34 68.488 -6.482 10.727 1.00 0.00 N ATOM 0 H ARG A 34 72.244 -3.524 5.624 1.00 0.00 H new ATOM 0 HA ARG A 34 70.358 -3.750 7.770 1.00 0.00 H new ATOM 0 HB2 ARG A 34 73.324 -3.940 7.225 1.00 0.00 H new ATOM 0 HB3 ARG A 34 72.867 -3.771 8.909 1.00 0.00 H new ATOM 0 HG2 ARG A 34 71.234 -5.742 7.357 1.00 0.00 H new ATOM 0 HG3 ARG A 34 72.918 -6.181 7.560 1.00 0.00 H new ATOM 0 HD2 ARG A 34 72.289 -6.946 9.652 1.00 0.00 H new ATOM 0 HD3 ARG A 34 72.244 -5.259 10.125 1.00 0.00 H new ATOM 0 HE ARG A 34 69.779 -5.925 8.681 1.00 0.00 H new ATOM 0 HH11 ARG A 34 71.492 -6.112 11.721 1.00 0.00 H new ATOM 0 HH12 ARG A 34 70.036 -6.448 12.664 1.00 0.00 H new ATOM 0 HH21 ARG A 34 67.932 -6.477 9.872 1.00 0.00 H new ATOM 0 HH22 ARG A 34 68.039 -6.653 11.627 1.00 0.00 H new ATOM 546 N LYS A 35 72.435 -1.263 8.289 1.00 0.00 N ATOM 547 CA LYS A 35 72.506 0.062 8.966 1.00 0.00 C ATOM 548 C LYS A 35 71.321 0.925 8.530 1.00 0.00 C ATOM 549 O LYS A 35 70.815 1.732 9.284 1.00 0.00 O ATOM 550 CB LYS A 35 73.824 0.679 8.497 1.00 0.00 C ATOM 551 CG LYS A 35 74.996 -0.123 9.069 1.00 0.00 C ATOM 552 CD LYS A 35 76.276 0.225 8.306 1.00 0.00 C ATOM 553 CE LYS A 35 76.539 1.728 8.408 1.00 0.00 C ATOM 554 NZ LYS A 35 77.218 1.912 9.721 1.00 0.00 N ATOM 0 H LYS A 35 73.313 -1.596 7.892 1.00 0.00 H new ATOM 0 HA LYS A 35 72.465 -0.019 10.052 1.00 0.00 H new ATOM 0 HB2 LYS A 35 73.869 0.682 7.408 1.00 0.00 H new ATOM 0 HB3 LYS A 35 73.887 1.718 8.822 1.00 0.00 H new ATOM 0 HG2 LYS A 35 75.120 0.100 10.129 1.00 0.00 H new ATOM 0 HG3 LYS A 35 74.792 -1.191 8.990 1.00 0.00 H new ATOM 0 HD2 LYS A 35 77.119 -0.331 8.716 1.00 0.00 H new ATOM 0 HD3 LYS A 35 76.180 -0.068 7.261 1.00 0.00 H new ATOM 0 HE2 LYS A 35 77.166 2.076 7.587 1.00 0.00 H new ATOM 0 HE3 LYS A 35 75.610 2.295 8.361 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 77.507 2.906 9.826 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 76.564 1.658 10.489 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 78.058 1.301 9.766 1.00 0.00 H new ATOM 568 N GLY A 36 70.870 0.752 7.317 1.00 0.00 N ATOM 569 CA GLY A 36 69.712 1.554 6.832 1.00 0.00 C ATOM 570 C GLY A 36 68.493 1.247 7.701 1.00 0.00 C ATOM 571 O GLY A 36 67.847 2.136 8.217 1.00 0.00 O ATOM 0 H GLY A 36 71.253 0.090 6.642 1.00 0.00 H new ATOM 0 HA2 GLY A 36 69.947 2.618 6.875 1.00 0.00 H new ATOM 0 HA3 GLY A 36 69.500 1.316 5.789 1.00 0.00 H new ATOM 575 N CYS A 37 68.178 -0.009 7.876 1.00 0.00 N ATOM 576 CA CYS A 37 67.005 -0.368 8.721 1.00 0.00 C ATOM 577 C CYS A 37 67.273 0.034 10.173 1.00 0.00 C ATOM 578 O CYS A 37 66.374 0.109 10.984 1.00 0.00 O ATOM 579 CB CYS A 37 66.870 -1.885 8.604 1.00 0.00 C ATOM 580 SG CYS A 37 65.509 -2.444 9.658 1.00 0.00 S ATOM 0 H CYS A 37 68.681 -0.799 7.471 1.00 0.00 H new ATOM 0 HA CYS A 37 66.095 0.141 8.404 1.00 0.00 H new ATOM 0 HB2 CYS A 37 66.683 -2.167 7.568 1.00 0.00 H new ATOM 0 HB3 CYS A 37 67.800 -2.369 8.903 1.00 0.00 H new ATOM 0 HG CYS A 37 65.387 -3.735 9.561 1.00 0.00 H new ATOM 586 N VAL A 38 68.509 0.298 10.501 1.00 0.00 N ATOM 587 CA VAL A 38 68.839 0.703 11.897 1.00 0.00 C ATOM 588 C VAL A 38 68.524 2.188 12.085 1.00 0.00 C ATOM 589 O VAL A 38 67.906 2.586 13.051 1.00 0.00 O ATOM 590 CB VAL A 38 70.338 0.446 12.043 1.00 0.00 C ATOM 591 CG1 VAL A 38 70.814 0.953 13.406 1.00 0.00 C ATOM 592 CG2 VAL A 38 70.610 -1.056 11.936 1.00 0.00 C ATOM 0 H VAL A 38 69.304 0.251 9.863 1.00 0.00 H new ATOM 0 HA VAL A 38 68.265 0.152 12.642 1.00 0.00 H new ATOM 0 HB VAL A 38 70.874 0.971 11.253 1.00 0.00 H new ATOM 0 HG11 VAL A 38 71.883 0.769 13.509 1.00 0.00 H new ATOM 0 HG12 VAL A 38 70.620 2.023 13.484 1.00 0.00 H new ATOM 0 HG13 VAL A 38 70.278 0.429 14.197 1.00 0.00 H new ATOM 0 HG21 VAL A 38 71.679 -1.240 12.040 1.00 0.00 H new ATOM 0 HG22 VAL A 38 70.073 -1.580 12.726 1.00 0.00 H new ATOM 0 HG23 VAL A 38 70.272 -1.419 10.965 1.00 0.00 H new ATOM 602 N ARG A 39 68.937 3.009 11.158 1.00 0.00 N ATOM 603 CA ARG A 39 68.651 4.466 11.270 1.00 0.00 C ATOM 604 C ARG A 39 67.171 4.724 10.981 1.00 0.00 C ATOM 605 O ARG A 39 66.564 5.619 11.536 1.00 0.00 O ATOM 606 CB ARG A 39 69.528 5.124 10.205 1.00 0.00 C ATOM 607 CG ARG A 39 70.281 6.305 10.819 1.00 0.00 C ATOM 608 CD ARG A 39 69.278 7.344 11.323 1.00 0.00 C ATOM 609 NE ARG A 39 70.015 8.638 11.285 1.00 0.00 N ATOM 610 CZ ARG A 39 69.933 9.465 12.293 1.00 0.00 C ATOM 611 NH1 ARG A 39 70.139 9.034 13.507 1.00 0.00 N ATOM 612 NH2 ARG A 39 69.644 10.720 12.085 1.00 0.00 N ATOM 0 H ARG A 39 69.461 2.732 10.327 1.00 0.00 H new ATOM 0 HA ARG A 39 68.860 4.859 12.265 1.00 0.00 H new ATOM 0 HB2 ARG A 39 70.235 4.399 9.802 1.00 0.00 H new ATOM 0 HB3 ARG A 39 68.913 5.465 9.373 1.00 0.00 H new ATOM 0 HG2 ARG A 39 70.909 5.962 11.641 1.00 0.00 H new ATOM 0 HG3 ARG A 39 70.943 6.753 10.078 1.00 0.00 H new ATOM 0 HD2 ARG A 39 68.391 7.376 10.691 1.00 0.00 H new ATOM 0 HD3 ARG A 39 68.941 7.111 12.333 1.00 0.00 H new ATOM 0 HE ARG A 39 70.583 8.878 10.473 1.00 0.00 H new ATOM 0 HH11 ARG A 39 70.364 8.052 13.668 1.00 0.00 H new ATOM 0 HH12 ARG A 39 70.075 9.679 14.295 1.00 0.00 H new ATOM 0 HH21 ARG A 39 69.482 11.055 11.135 1.00 0.00 H new ATOM 0 HH22 ARG A 39 69.580 11.366 12.872 1.00 0.00 H new ATOM 626 N PHE A 40 66.589 3.939 10.118 1.00 0.00 N ATOM 627 CA PHE A 40 65.147 4.123 9.788 1.00 0.00 C ATOM 628 C PHE A 40 64.286 3.273 10.726 1.00 0.00 C ATOM 629 O PHE A 40 63.078 3.406 10.771 1.00 0.00 O ATOM 630 CB PHE A 40 65.009 3.637 8.345 1.00 0.00 C ATOM 631 CG PHE A 40 65.104 4.814 7.400 1.00 0.00 C ATOM 632 CD1 PHE A 40 65.817 5.959 7.776 1.00 0.00 C ATOM 633 CD2 PHE A 40 64.476 4.759 6.150 1.00 0.00 C ATOM 634 CE1 PHE A 40 65.901 7.049 6.901 1.00 0.00 C ATOM 635 CE2 PHE A 40 64.561 5.848 5.275 1.00 0.00 C ATOM 636 CZ PHE A 40 65.273 6.993 5.651 1.00 0.00 C ATOM 0 H PHE A 40 67.051 3.175 9.625 1.00 0.00 H new ATOM 0 HA PHE A 40 64.821 5.157 9.902 1.00 0.00 H new ATOM 0 HB2 PHE A 40 65.791 2.912 8.119 1.00 0.00 H new ATOM 0 HB3 PHE A 40 64.055 3.128 8.212 1.00 0.00 H new ATOM 0 HD1 PHE A 40 66.302 6.001 8.740 1.00 0.00 H new ATOM 0 HD2 PHE A 40 63.926 3.876 5.861 1.00 0.00 H new ATOM 0 HE1 PHE A 40 66.450 7.933 7.190 1.00 0.00 H new ATOM 0 HE2 PHE A 40 64.078 5.805 4.310 1.00 0.00 H new ATOM 0 HZ PHE A 40 65.338 7.834 4.976 1.00 0.00 H new ATOM 646 N GLN A 41 64.901 2.401 11.476 1.00 0.00 N ATOM 647 CA GLN A 41 64.126 1.537 12.413 1.00 0.00 C ATOM 648 C GLN A 41 62.984 0.841 11.672 1.00 0.00 C ATOM 649 O GLN A 41 61.854 1.286 11.697 1.00 0.00 O ATOM 650 CB GLN A 41 63.577 2.492 13.472 1.00 0.00 C ATOM 651 CG GLN A 41 64.471 2.448 14.712 1.00 0.00 C ATOM 652 CD GLN A 41 65.098 3.824 14.938 1.00 0.00 C ATOM 653 OE1 GLN A 41 64.800 4.488 15.912 1.00 0.00 O ATOM 654 NE2 GLN A 41 65.961 4.285 14.074 1.00 0.00 N ATOM 0 H GLN A 41 65.910 2.248 11.481 1.00 0.00 H new ATOM 0 HA GLN A 41 64.741 0.752 12.853 1.00 0.00 H new ATOM 0 HB2 GLN A 41 63.536 3.507 13.076 1.00 0.00 H new ATOM 0 HB3 GLN A 41 62.557 2.212 13.736 1.00 0.00 H new ATOM 0 HG2 GLN A 41 63.887 2.155 15.584 1.00 0.00 H new ATOM 0 HG3 GLN A 41 65.251 1.698 14.584 1.00 0.00 H new ATOM 0 HE21 GLN A 41 66.211 3.728 13.257 1.00 0.00 H new ATOM 0 HE22 GLN A 41 66.385 5.202 14.216 1.00 0.00 H new ATOM 663 N LEU A 42 63.266 -0.250 11.013 1.00 0.00 N ATOM 664 CA LEU A 42 62.189 -0.969 10.275 1.00 0.00 C ATOM 665 C LEU A 42 62.117 -2.429 10.736 1.00 0.00 C ATOM 666 O LEU A 42 63.012 -3.207 10.474 1.00 0.00 O ATOM 667 CB LEU A 42 62.596 -0.886 8.803 1.00 0.00 C ATOM 668 CG LEU A 42 61.343 -0.912 7.928 1.00 0.00 C ATOM 669 CD1 LEU A 42 60.556 -2.193 8.200 1.00 0.00 C ATOM 670 CD2 LEU A 42 60.467 0.300 8.257 1.00 0.00 C ATOM 0 H LEU A 42 64.192 -0.673 10.954 1.00 0.00 H new ATOM 0 HA LEU A 42 61.205 -0.534 10.449 1.00 0.00 H new ATOM 0 HB2 LEU A 42 63.161 0.028 8.621 1.00 0.00 H new ATOM 0 HB3 LEU A 42 63.249 -1.720 8.547 1.00 0.00 H new ATOM 0 HG LEU A 42 61.634 -0.879 6.878 1.00 0.00 H new ATOM 0 HD11 LEU A 42 59.663 -2.211 7.576 1.00 0.00 H new ATOM 0 HD12 LEU A 42 61.178 -3.058 7.969 1.00 0.00 H new ATOM 0 HD13 LEU A 42 60.265 -2.225 9.250 1.00 0.00 H new ATOM 0 HD21 LEU A 42 59.573 0.283 7.634 1.00 0.00 H new ATOM 0 HD22 LEU A 42 60.178 0.265 9.307 1.00 0.00 H new ATOM 0 HD23 LEU A 42 61.026 1.216 8.065 1.00 0.00 H new ATOM 682 N PRO A 43 61.047 -2.748 11.410 1.00 0.00 N ATOM 683 CA PRO A 43 60.849 -4.127 11.916 1.00 0.00 C ATOM 684 C PRO A 43 60.509 -5.073 10.761 1.00 0.00 C ATOM 685 O PRO A 43 60.124 -4.644 9.692 1.00 0.00 O ATOM 686 CB PRO A 43 59.668 -3.991 12.874 1.00 0.00 C ATOM 687 CG PRO A 43 58.922 -2.785 12.401 1.00 0.00 C ATOM 688 CD PRO A 43 59.929 -1.865 11.760 1.00 0.00 C ATOM 0 HA PRO A 43 61.735 -4.540 12.397 1.00 0.00 H new ATOM 0 HB2 PRO A 43 59.037 -4.879 12.851 1.00 0.00 H new ATOM 0 HB3 PRO A 43 60.007 -3.867 13.903 1.00 0.00 H new ATOM 0 HG2 PRO A 43 58.148 -3.066 11.687 1.00 0.00 H new ATOM 0 HG3 PRO A 43 58.423 -2.290 13.234 1.00 0.00 H new ATOM 0 HD2 PRO A 43 59.517 -1.375 10.878 1.00 0.00 H new ATOM 0 HD3 PRO A 43 60.242 -1.077 12.445 1.00 0.00 H new ATOM 734 N SER A 47 55.785 -4.574 8.751 1.00 0.00 N ATOM 735 CA SER A 47 56.652 -3.567 8.077 1.00 0.00 C ATOM 736 C SER A 47 57.089 -4.081 6.703 1.00 0.00 C ATOM 737 O SER A 47 56.848 -5.219 6.352 1.00 0.00 O ATOM 738 CB SER A 47 57.862 -3.407 8.992 1.00 0.00 C ATOM 739 OG SER A 47 57.928 -2.066 9.454 1.00 0.00 O ATOM 0 HA SER A 47 56.134 -2.622 7.916 1.00 0.00 H new ATOM 0 HB2 SER A 47 57.786 -4.091 9.837 1.00 0.00 H new ATOM 0 HB3 SER A 47 58.775 -3.664 8.455 1.00 0.00 H new ATOM 0 HG SER A 47 57.192 -1.899 10.079 1.00 0.00 H new ATOM 745 N ARG A 48 57.727 -3.254 5.921 1.00 0.00 N ATOM 746 CA ARG A 48 58.175 -3.703 4.575 1.00 0.00 C ATOM 747 C ARG A 48 58.874 -2.555 3.838 1.00 0.00 C ATOM 748 O ARG A 48 58.456 -1.416 3.897 1.00 0.00 O ATOM 749 CB ARG A 48 56.889 -4.122 3.856 1.00 0.00 C ATOM 750 CG ARG A 48 57.102 -4.086 2.340 1.00 0.00 C ATOM 751 CD ARG A 48 56.339 -5.241 1.690 1.00 0.00 C ATOM 752 NE ARG A 48 55.478 -4.597 0.658 1.00 0.00 N ATOM 753 CZ ARG A 48 54.234 -4.967 0.524 1.00 0.00 C ATOM 754 NH1 ARG A 48 53.942 -6.027 -0.178 1.00 0.00 N ATOM 755 NH2 ARG A 48 53.283 -4.275 1.088 1.00 0.00 N ATOM 0 H ARG A 48 57.957 -2.288 6.156 1.00 0.00 H new ATOM 0 HA ARG A 48 58.895 -4.520 4.623 1.00 0.00 H new ATOM 0 HB2 ARG A 48 56.599 -5.126 4.167 1.00 0.00 H new ATOM 0 HB3 ARG A 48 56.073 -3.454 4.133 1.00 0.00 H new ATOM 0 HG2 ARG A 48 56.756 -3.135 1.936 1.00 0.00 H new ATOM 0 HG3 ARG A 48 58.165 -4.163 2.109 1.00 0.00 H new ATOM 0 HD2 ARG A 48 57.021 -5.963 1.241 1.00 0.00 H new ATOM 0 HD3 ARG A 48 55.740 -5.782 2.423 1.00 0.00 H new ATOM 0 HE ARG A 48 55.861 -3.867 0.057 1.00 0.00 H new ATOM 0 HH11 ARG A 48 54.686 -6.566 -0.622 1.00 0.00 H new ATOM 0 HH12 ARG A 48 52.970 -6.317 -0.283 1.00 0.00 H new ATOM 0 HH21 ARG A 48 53.512 -3.444 1.634 1.00 0.00 H new ATOM 0 HH22 ARG A 48 52.311 -4.565 0.983 1.00 0.00 H new ATOM 769 N LEU A 49 59.935 -2.852 3.140 1.00 0.00 N ATOM 770 CA LEU A 49 60.661 -1.787 2.391 1.00 0.00 C ATOM 771 C LEU A 49 60.497 -2.022 0.887 1.00 0.00 C ATOM 772 O LEU A 49 60.894 -3.044 0.365 1.00 0.00 O ATOM 773 CB LEU A 49 62.126 -1.936 2.806 1.00 0.00 C ATOM 774 CG LEU A 49 62.247 -1.768 4.322 1.00 0.00 C ATOM 775 CD1 LEU A 49 62.556 -3.122 4.964 1.00 0.00 C ATOM 776 CD2 LEU A 49 63.380 -0.787 4.637 1.00 0.00 C ATOM 0 H LEU A 49 60.332 -3.788 3.056 1.00 0.00 H new ATOM 0 HA LEU A 49 60.285 -0.787 2.607 1.00 0.00 H new ATOM 0 HB2 LEU A 49 62.502 -2.914 2.507 1.00 0.00 H new ATOM 0 HB3 LEU A 49 62.737 -1.190 2.297 1.00 0.00 H new ATOM 0 HG LEU A 49 61.308 -1.383 4.720 1.00 0.00 H new ATOM 0 HD11 LEU A 49 62.642 -3.001 6.044 1.00 0.00 H new ATOM 0 HD12 LEU A 49 61.752 -3.823 4.740 1.00 0.00 H new ATOM 0 HD13 LEU A 49 63.495 -3.508 4.566 1.00 0.00 H new ATOM 0 HD21 LEU A 49 63.467 -0.666 5.717 1.00 0.00 H new ATOM 0 HD22 LEU A 49 64.318 -1.174 4.238 1.00 0.00 H new ATOM 0 HD23 LEU A 49 63.163 0.179 4.181 1.00 0.00 H new ATOM 788 N CYS A 50 59.905 -1.097 0.188 1.00 0.00 N ATOM 789 CA CYS A 50 59.707 -1.292 -1.277 1.00 0.00 C ATOM 790 C CYS A 50 60.719 -0.466 -2.076 1.00 0.00 C ATOM 791 O CYS A 50 61.226 0.537 -1.616 1.00 0.00 O ATOM 792 CB CYS A 50 58.285 -0.803 -1.550 1.00 0.00 C ATOM 793 SG CYS A 50 57.107 -1.835 -0.641 1.00 0.00 S ATOM 0 H CYS A 50 59.550 -0.217 0.563 1.00 0.00 H new ATOM 0 HA CYS A 50 59.851 -2.331 -1.573 1.00 0.00 H new ATOM 0 HB2 CYS A 50 58.183 0.239 -1.246 1.00 0.00 H new ATOM 0 HB3 CYS A 50 58.073 -0.845 -2.618 1.00 0.00 H new ATOM 0 HG CYS A 50 55.926 -1.717 -1.172 1.00 0.00 H new ATOM 799 N LEU A 51 61.009 -0.886 -3.276 1.00 0.00 N ATOM 800 CA LEU A 51 61.978 -0.139 -4.124 1.00 0.00 C ATOM 801 C LEU A 51 61.271 1.019 -4.831 1.00 0.00 C ATOM 802 O LEU A 51 60.291 0.830 -5.524 1.00 0.00 O ATOM 803 CB LEU A 51 62.470 -1.168 -5.137 1.00 0.00 C ATOM 804 CG LEU A 51 63.996 -1.206 -5.125 1.00 0.00 C ATOM 805 CD1 LEU A 51 64.467 -2.640 -4.883 1.00 0.00 C ATOM 806 CD2 LEU A 51 64.519 -0.721 -6.476 1.00 0.00 C ATOM 0 H LEU A 51 60.613 -1.721 -3.708 1.00 0.00 H new ATOM 0 HA LEU A 51 62.796 0.295 -3.548 1.00 0.00 H new ATOM 0 HB2 LEU A 51 62.069 -2.152 -4.895 1.00 0.00 H new ATOM 0 HB3 LEU A 51 62.110 -0.914 -6.134 1.00 0.00 H new ATOM 0 HG LEU A 51 64.374 -0.562 -4.331 1.00 0.00 H new ATOM 0 HD11 LEU A 51 65.557 -2.668 -4.874 1.00 0.00 H new ATOM 0 HD12 LEU A 51 64.087 -2.991 -3.923 1.00 0.00 H new ATOM 0 HD13 LEU A 51 64.094 -3.285 -5.679 1.00 0.00 H new ATOM 0 HD21 LEU A 51 65.609 -0.746 -6.474 1.00 0.00 H new ATOM 0 HD22 LEU A 51 64.143 -1.370 -7.266 1.00 0.00 H new ATOM 0 HD23 LEU A 51 64.179 0.300 -6.653 1.00 0.00 H new ATOM 818 N TYR A 52 61.755 2.218 -4.654 1.00 0.00 N ATOM 819 CA TYR A 52 61.104 3.390 -5.310 1.00 0.00 C ATOM 820 C TYR A 52 61.409 3.410 -6.812 1.00 0.00 C ATOM 821 O TYR A 52 60.988 4.298 -7.526 1.00 0.00 O ATOM 822 CB TYR A 52 61.710 4.613 -4.625 1.00 0.00 C ATOM 823 CG TYR A 52 60.729 5.758 -4.683 1.00 0.00 C ATOM 824 CD1 TYR A 52 59.642 5.794 -3.802 1.00 0.00 C ATOM 825 CD2 TYR A 52 60.905 6.784 -5.619 1.00 0.00 C ATOM 826 CE1 TYR A 52 58.731 6.855 -3.856 1.00 0.00 C ATOM 827 CE2 TYR A 52 59.994 7.845 -5.673 1.00 0.00 C ATOM 828 CZ TYR A 52 58.907 7.882 -4.792 1.00 0.00 C ATOM 829 OH TYR A 52 58.008 8.927 -4.846 1.00 0.00 O ATOM 0 H TYR A 52 62.572 2.438 -4.084 1.00 0.00 H new ATOM 0 HA TYR A 52 60.019 3.360 -5.213 1.00 0.00 H new ATOM 0 HB2 TYR A 52 61.953 4.380 -3.588 1.00 0.00 H new ATOM 0 HB3 TYR A 52 62.642 4.893 -5.115 1.00 0.00 H new ATOM 0 HD1 TYR A 52 59.506 5.002 -3.080 1.00 0.00 H new ATOM 0 HD2 TYR A 52 61.743 6.757 -6.299 1.00 0.00 H new ATOM 0 HE1 TYR A 52 57.892 6.882 -3.176 1.00 0.00 H new ATOM 0 HE2 TYR A 52 60.130 8.636 -6.395 1.00 0.00 H new ATOM 0 HH TYR A 52 57.118 8.581 -5.065 1.00 0.00 H new ATOM 839 N GLU A 53 62.135 2.441 -7.299 1.00 0.00 N ATOM 840 CA GLU A 53 62.459 2.417 -8.754 1.00 0.00 C ATOM 841 C GLU A 53 61.172 2.361 -9.582 1.00 0.00 C ATOM 842 O GLU A 53 60.940 3.185 -10.444 1.00 0.00 O ATOM 843 CB GLU A 53 63.284 1.146 -8.959 1.00 0.00 C ATOM 844 CG GLU A 53 64.088 1.263 -10.256 1.00 0.00 C ATOM 845 CD GLU A 53 65.582 1.317 -9.930 1.00 0.00 C ATOM 846 OE1 GLU A 53 65.946 0.902 -8.842 1.00 0.00 O ATOM 847 OE2 GLU A 53 66.336 1.774 -10.774 1.00 0.00 O ATOM 0 H GLU A 53 62.517 1.667 -6.755 1.00 0.00 H new ATOM 0 HA GLU A 53 63.001 3.308 -9.069 1.00 0.00 H new ATOM 0 HB2 GLU A 53 63.956 0.996 -8.114 1.00 0.00 H new ATOM 0 HB3 GLU A 53 62.628 0.277 -9.003 1.00 0.00 H new ATOM 0 HG2 GLU A 53 63.877 0.413 -10.904 1.00 0.00 H new ATOM 0 HG3 GLU A 53 63.791 2.160 -10.800 1.00 0.00 H new ATOM 854 N ASP A 54 60.332 1.394 -9.328 1.00 0.00 N ATOM 855 CA ASP A 54 59.063 1.291 -10.103 1.00 0.00 C ATOM 856 C ASP A 54 57.944 0.740 -9.216 1.00 0.00 C ATOM 857 O ASP A 54 56.957 0.220 -9.698 1.00 0.00 O ATOM 858 CB ASP A 54 59.375 0.320 -11.243 1.00 0.00 C ATOM 859 CG ASP A 54 59.276 1.055 -12.580 1.00 0.00 C ATOM 860 OD1 ASP A 54 58.243 1.656 -12.827 1.00 0.00 O ATOM 861 OD2 ASP A 54 60.234 1.005 -13.334 1.00 0.00 O ATOM 0 H ASP A 54 60.469 0.673 -8.620 1.00 0.00 H new ATOM 0 HA ASP A 54 58.724 2.259 -10.473 1.00 0.00 H new ATOM 0 HB2 ASP A 54 60.375 -0.096 -11.118 1.00 0.00 H new ATOM 0 HB3 ASP A 54 58.677 -0.517 -11.223 1.00 0.00 H new ATOM 866 N GLY A 55 58.091 0.849 -7.925 1.00 0.00 N ATOM 867 CA GLY A 55 57.037 0.332 -7.010 1.00 0.00 C ATOM 868 C GLY A 55 57.299 -1.143 -6.709 1.00 0.00 C ATOM 869 O GLY A 55 56.384 -1.931 -6.572 1.00 0.00 O ATOM 0 H GLY A 55 58.896 1.274 -7.464 1.00 0.00 H new ATOM 0 HA2 GLY A 55 57.031 0.907 -6.084 1.00 0.00 H new ATOM 0 HA3 GLY A 55 56.054 0.452 -7.466 1.00 0.00 H new ATOM 873 N THR A 56 58.542 -1.525 -6.601 1.00 0.00 N ATOM 874 CA THR A 56 58.858 -2.951 -6.304 1.00 0.00 C ATOM 875 C THR A 56 58.742 -3.211 -4.800 1.00 0.00 C ATOM 876 O THR A 56 58.727 -2.294 -4.004 1.00 0.00 O ATOM 877 CB THR A 56 60.294 -3.148 -6.781 1.00 0.00 C ATOM 878 OG1 THR A 56 60.645 -2.099 -7.673 1.00 0.00 O ATOM 879 CG2 THR A 56 60.414 -4.493 -7.499 1.00 0.00 C ATOM 0 H THR A 56 59.351 -0.913 -6.705 1.00 0.00 H new ATOM 0 HA THR A 56 58.173 -3.641 -6.797 1.00 0.00 H new ATOM 0 HB THR A 56 60.967 -3.135 -5.924 1.00 0.00 H new ATOM 0 HG1 THR A 56 61.568 -2.224 -7.978 1.00 0.00 H new ATOM 0 HG21 THR A 56 61.440 -4.633 -7.840 1.00 0.00 H new ATOM 0 HG22 THR A 56 60.146 -5.297 -6.813 1.00 0.00 H new ATOM 0 HG23 THR A 56 59.742 -4.509 -8.357 1.00 0.00 H new ATOM 887 N GLU A 57 58.653 -4.451 -4.404 1.00 0.00 N ATOM 888 CA GLU A 57 58.534 -4.758 -2.949 1.00 0.00 C ATOM 889 C GLU A 57 59.757 -5.546 -2.474 1.00 0.00 C ATOM 890 O GLU A 57 60.198 -6.475 -3.120 1.00 0.00 O ATOM 891 CB GLU A 57 57.267 -5.604 -2.822 1.00 0.00 C ATOM 892 CG GLU A 57 57.289 -6.723 -3.865 1.00 0.00 C ATOM 893 CD GLU A 57 56.136 -7.693 -3.598 1.00 0.00 C ATOM 894 OE1 GLU A 57 55.209 -7.304 -2.907 1.00 0.00 O ATOM 895 OE2 GLU A 57 56.199 -8.807 -4.092 1.00 0.00 O ATOM 0 H GLU A 57 58.657 -5.263 -5.022 1.00 0.00 H new ATOM 0 HA GLU A 57 58.482 -3.855 -2.340 1.00 0.00 H new ATOM 0 HB2 GLU A 57 57.200 -6.028 -1.820 1.00 0.00 H new ATOM 0 HB3 GLU A 57 56.385 -4.979 -2.963 1.00 0.00 H new ATOM 0 HG2 GLU A 57 57.200 -6.303 -4.867 1.00 0.00 H new ATOM 0 HG3 GLU A 57 58.241 -7.253 -3.825 1.00 0.00 H new ATOM 902 N VAL A 58 60.313 -5.176 -1.351 1.00 0.00 N ATOM 903 CA VAL A 58 61.514 -5.897 -0.837 1.00 0.00 C ATOM 904 C VAL A 58 61.590 -5.786 0.690 1.00 0.00 C ATOM 905 O VAL A 58 60.762 -5.154 1.319 1.00 0.00 O ATOM 906 CB VAL A 58 62.698 -5.179 -1.489 1.00 0.00 C ATOM 907 CG1 VAL A 58 63.986 -5.956 -1.208 1.00 0.00 C ATOM 908 CG2 VAL A 58 62.479 -5.098 -3.001 1.00 0.00 C ATOM 0 H VAL A 58 59.987 -4.406 -0.767 1.00 0.00 H new ATOM 0 HA VAL A 58 61.495 -6.961 -1.071 1.00 0.00 H new ATOM 0 HB VAL A 58 62.780 -4.173 -1.077 1.00 0.00 H new ATOM 0 HG11 VAL A 58 64.829 -5.444 -1.673 1.00 0.00 H new ATOM 0 HG12 VAL A 58 64.147 -6.016 -0.132 1.00 0.00 H new ATOM 0 HG13 VAL A 58 63.901 -6.962 -1.619 1.00 0.00 H new ATOM 0 HG21 VAL A 58 63.323 -4.586 -3.464 1.00 0.00 H new ATOM 0 HG22 VAL A 58 62.395 -6.104 -3.411 1.00 0.00 H new ATOM 0 HG23 VAL A 58 61.562 -4.545 -3.207 1.00 0.00 H new ATOM 918 N THR A 59 62.576 -6.391 1.295 1.00 0.00 N ATOM 919 CA THR A 59 62.704 -6.314 2.778 1.00 0.00 C ATOM 920 C THR A 59 64.139 -5.939 3.161 1.00 0.00 C ATOM 921 O THR A 59 65.055 -6.068 2.373 1.00 0.00 O ATOM 922 CB THR A 59 62.361 -7.716 3.284 1.00 0.00 C ATOM 923 OG1 THR A 59 63.361 -8.628 2.855 1.00 0.00 O ATOM 924 CG2 THR A 59 61.002 -8.143 2.728 1.00 0.00 C ATOM 0 H THR A 59 63.299 -6.936 0.825 1.00 0.00 H new ATOM 0 HA THR A 59 62.049 -5.558 3.211 1.00 0.00 H new ATOM 0 HB THR A 59 62.317 -7.711 4.373 1.00 0.00 H new ATOM 0 HG1 THR A 59 63.235 -9.488 3.307 1.00 0.00 H new ATOM 0 HG21 THR A 59 60.759 -9.142 3.089 1.00 0.00 H new ATOM 0 HG22 THR A 59 60.237 -7.441 3.059 1.00 0.00 H new ATOM 0 HG23 THR A 59 61.041 -8.150 1.639 1.00 0.00 H new ATOM 932 N ASP A 60 64.341 -5.472 4.362 1.00 0.00 N ATOM 933 CA ASP A 60 65.712 -5.085 4.793 1.00 0.00 C ATOM 934 C ASP A 60 66.576 -6.330 5.023 1.00 0.00 C ATOM 935 O ASP A 60 67.736 -6.234 5.370 1.00 0.00 O ATOM 936 CB ASP A 60 65.514 -4.321 6.103 1.00 0.00 C ATOM 937 CG ASP A 60 64.772 -5.208 7.105 1.00 0.00 C ATOM 938 OD1 ASP A 60 63.555 -5.252 7.038 1.00 0.00 O ATOM 939 OD2 ASP A 60 65.434 -5.828 7.921 1.00 0.00 O ATOM 0 H ASP A 60 63.613 -5.342 5.065 1.00 0.00 H new ATOM 0 HA ASP A 60 66.223 -4.484 4.041 1.00 0.00 H new ATOM 0 HB2 ASP A 60 66.479 -4.022 6.511 1.00 0.00 H new ATOM 0 HB3 ASP A 60 64.948 -3.407 5.921 1.00 0.00 H new ATOM 944 N ASP A 61 66.021 -7.498 4.836 1.00 0.00 N ATOM 945 CA ASP A 61 66.817 -8.742 5.050 1.00 0.00 C ATOM 946 C ASP A 61 67.032 -9.473 3.721 1.00 0.00 C ATOM 947 O ASP A 61 67.819 -10.395 3.632 1.00 0.00 O ATOM 948 CB ASP A 61 65.972 -9.593 5.999 1.00 0.00 C ATOM 949 CG ASP A 61 65.588 -8.765 7.227 1.00 0.00 C ATOM 950 OD1 ASP A 61 66.487 -8.312 7.915 1.00 0.00 O ATOM 951 OD2 ASP A 61 64.402 -8.598 7.457 1.00 0.00 O ATOM 0 H ASP A 61 65.054 -7.644 4.545 1.00 0.00 H new ATOM 0 HA ASP A 61 67.806 -8.533 5.458 1.00 0.00 H new ATOM 0 HB2 ASP A 61 65.075 -9.943 5.489 1.00 0.00 H new ATOM 0 HB3 ASP A 61 66.530 -10.478 6.305 1.00 0.00 H new ATOM 956 N CYS A 62 66.337 -9.075 2.691 1.00 0.00 N ATOM 957 CA CYS A 62 66.504 -9.756 1.373 1.00 0.00 C ATOM 958 C CYS A 62 67.453 -8.957 0.473 1.00 0.00 C ATOM 959 O CYS A 62 68.248 -9.518 -0.254 1.00 0.00 O ATOM 960 CB CYS A 62 65.101 -9.795 0.767 1.00 0.00 C ATOM 961 SG CYS A 62 64.977 -11.188 -0.381 1.00 0.00 S ATOM 0 H CYS A 62 65.662 -8.310 2.703 1.00 0.00 H new ATOM 0 HA CYS A 62 66.933 -10.752 1.478 1.00 0.00 H new ATOM 0 HB2 CYS A 62 64.355 -9.893 1.556 1.00 0.00 H new ATOM 0 HB3 CYS A 62 64.893 -8.861 0.246 1.00 0.00 H new ATOM 0 HG CYS A 62 63.783 -11.222 -0.895 1.00 0.00 H new ATOM 967 N PHE A 63 67.371 -7.654 0.517 1.00 0.00 N ATOM 968 CA PHE A 63 68.265 -6.814 -0.337 1.00 0.00 C ATOM 969 C PHE A 63 69.676 -7.403 -0.379 1.00 0.00 C ATOM 970 O PHE A 63 70.458 -7.209 0.531 1.00 0.00 O ATOM 971 CB PHE A 63 68.280 -5.444 0.340 1.00 0.00 C ATOM 972 CG PHE A 63 67.088 -4.643 -0.125 1.00 0.00 C ATOM 973 CD1 PHE A 63 66.792 -4.556 -1.490 1.00 0.00 C ATOM 974 CD2 PHE A 63 66.279 -3.988 0.810 1.00 0.00 C ATOM 975 CE1 PHE A 63 65.686 -3.814 -1.920 1.00 0.00 C ATOM 976 CE2 PHE A 63 65.172 -3.247 0.381 1.00 0.00 C ATOM 977 CZ PHE A 63 64.876 -3.160 -0.985 1.00 0.00 C ATOM 0 H PHE A 63 66.723 -7.133 1.108 1.00 0.00 H new ATOM 0 HA PHE A 63 67.916 -6.761 -1.368 1.00 0.00 H new ATOM 0 HB2 PHE A 63 68.253 -5.561 1.423 1.00 0.00 H new ATOM 0 HB3 PHE A 63 69.203 -4.917 0.099 1.00 0.00 H new ATOM 0 HD1 PHE A 63 67.417 -5.061 -2.211 1.00 0.00 H new ATOM 0 HD2 PHE A 63 66.509 -4.054 1.863 1.00 0.00 H new ATOM 0 HE1 PHE A 63 65.458 -3.746 -2.973 1.00 0.00 H new ATOM 0 HE2 PHE A 63 64.547 -2.743 1.103 1.00 0.00 H new ATOM 0 HZ PHE A 63 64.022 -2.588 -1.317 1.00 0.00 H new ATOM 987 N PRO A 64 69.955 -8.108 -1.442 1.00 0.00 N ATOM 988 CA PRO A 64 71.281 -8.736 -1.614 1.00 0.00 C ATOM 989 C PRO A 64 72.292 -7.711 -2.139 1.00 0.00 C ATOM 990 O PRO A 64 73.219 -7.331 -1.453 1.00 0.00 O ATOM 991 CB PRO A 64 71.026 -9.828 -2.646 1.00 0.00 C ATOM 992 CG PRO A 64 69.825 -9.377 -3.423 1.00 0.00 C ATOM 993 CD PRO A 64 69.064 -8.383 -2.574 1.00 0.00 C ATOM 0 HA PRO A 64 71.698 -9.124 -0.685 1.00 0.00 H new ATOM 0 HB2 PRO A 64 71.889 -9.959 -3.299 1.00 0.00 H new ATOM 0 HB3 PRO A 64 70.843 -10.788 -2.164 1.00 0.00 H new ATOM 0 HG2 PRO A 64 70.130 -8.919 -4.364 1.00 0.00 H new ATOM 0 HG3 PRO A 64 69.192 -10.228 -3.673 1.00 0.00 H new ATOM 0 HD2 PRO A 64 68.840 -7.474 -3.132 1.00 0.00 H new ATOM 0 HD3 PRO A 64 68.112 -8.794 -2.239 1.00 0.00 H new ATOM 1001 N GLY A 65 72.118 -7.262 -3.353 1.00 0.00 N ATOM 1002 CA GLY A 65 73.067 -6.263 -3.921 1.00 0.00 C ATOM 1003 C GLY A 65 72.319 -5.342 -4.886 1.00 0.00 C ATOM 1004 O GLY A 65 72.578 -5.327 -6.072 1.00 0.00 O ATOM 0 H GLY A 65 71.360 -7.544 -3.975 1.00 0.00 H new ATOM 0 HA2 GLY A 65 73.519 -5.678 -3.120 1.00 0.00 H new ATOM 0 HA3 GLY A 65 73.879 -6.771 -4.442 1.00 0.00 H new ATOM 1008 N LEU A 66 71.391 -4.572 -4.384 1.00 0.00 N ATOM 1009 CA LEU A 66 70.624 -3.649 -5.271 1.00 0.00 C ATOM 1010 C LEU A 66 71.561 -2.972 -6.270 1.00 0.00 C ATOM 1011 O LEU A 66 72.763 -2.960 -6.090 1.00 0.00 O ATOM 1012 CB LEU A 66 70.013 -2.613 -4.328 1.00 0.00 C ATOM 1013 CG LEU A 66 69.059 -3.307 -3.356 1.00 0.00 C ATOM 1014 CD1 LEU A 66 69.153 -2.639 -1.984 1.00 0.00 C ATOM 1015 CD2 LEU A 66 67.627 -3.197 -3.883 1.00 0.00 C ATOM 0 H LEU A 66 71.131 -4.542 -3.398 1.00 0.00 H new ATOM 0 HA LEU A 66 69.865 -4.173 -5.852 1.00 0.00 H new ATOM 0 HB2 LEU A 66 70.800 -2.099 -3.777 1.00 0.00 H new ATOM 0 HB3 LEU A 66 69.478 -1.855 -4.901 1.00 0.00 H new ATOM 0 HG LEU A 66 69.332 -4.358 -3.265 1.00 0.00 H new ATOM 0 HD11 LEU A 66 68.473 -3.134 -1.291 1.00 0.00 H new ATOM 0 HD12 LEU A 66 70.174 -2.719 -1.610 1.00 0.00 H new ATOM 0 HD13 LEU A 66 68.880 -1.587 -2.072 1.00 0.00 H new ATOM 0 HD21 LEU A 66 66.946 -3.692 -3.191 1.00 0.00 H new ATOM 0 HD22 LEU A 66 67.352 -2.146 -3.974 1.00 0.00 H new ATOM 0 HD23 LEU A 66 67.561 -3.675 -4.860 1.00 0.00 H new ATOM 1027 N PRO A 67 70.968 -2.420 -7.289 1.00 0.00 N ATOM 1028 CA PRO A 67 71.746 -1.716 -8.337 1.00 0.00 C ATOM 1029 C PRO A 67 72.300 -0.400 -7.789 1.00 0.00 C ATOM 1030 O PRO A 67 71.841 0.105 -6.783 1.00 0.00 O ATOM 1031 CB PRO A 67 70.716 -1.462 -9.435 1.00 0.00 C ATOM 1032 CG PRO A 67 69.396 -1.465 -8.732 1.00 0.00 C ATOM 1033 CD PRO A 67 69.528 -2.400 -7.560 1.00 0.00 C ATOM 0 HA PRO A 67 72.606 -2.283 -8.692 1.00 0.00 H new ATOM 0 HB2 PRO A 67 70.896 -0.509 -9.933 1.00 0.00 H new ATOM 0 HB3 PRO A 67 70.757 -2.235 -10.202 1.00 0.00 H new ATOM 0 HG2 PRO A 67 69.134 -0.461 -8.398 1.00 0.00 H new ATOM 0 HG3 PRO A 67 68.602 -1.795 -9.402 1.00 0.00 H new ATOM 0 HD2 PRO A 67 68.964 -2.043 -6.698 1.00 0.00 H new ATOM 0 HD3 PRO A 67 69.152 -3.395 -7.798 1.00 0.00 H new ATOM 1041 N ASN A 68 73.283 0.160 -8.437 1.00 0.00 N ATOM 1042 CA ASN A 68 73.861 1.441 -7.944 1.00 0.00 C ATOM 1043 C ASN A 68 72.744 2.396 -7.523 1.00 0.00 C ATOM 1044 O ASN A 68 71.636 2.326 -8.014 1.00 0.00 O ATOM 1045 CB ASN A 68 74.645 2.012 -9.126 1.00 0.00 C ATOM 1046 CG ASN A 68 76.013 2.496 -8.644 1.00 0.00 C ATOM 1047 OD1 ASN A 68 76.277 3.681 -8.619 1.00 0.00 O ATOM 1048 ND2 ASN A 68 76.900 1.621 -8.253 1.00 0.00 N ATOM 0 H ASN A 68 73.710 -0.213 -9.285 1.00 0.00 H new ATOM 0 HA ASN A 68 74.499 1.296 -7.072 1.00 0.00 H new ATOM 0 HB2 ASN A 68 74.767 1.251 -9.897 1.00 0.00 H new ATOM 0 HB3 ASN A 68 74.094 2.837 -9.577 1.00 0.00 H new ATOM 0 HD21 ASN A 68 77.815 1.933 -7.927 1.00 0.00 H new ATOM 0 HD22 ASN A 68 76.678 0.626 -8.274 1.00 0.00 H new ATOM 1055 N ASP A 69 73.028 3.283 -6.611 1.00 0.00 N ATOM 1056 CA ASP A 69 71.984 4.239 -6.149 1.00 0.00 C ATOM 1057 C ASP A 69 70.669 3.501 -5.900 1.00 0.00 C ATOM 1058 O ASP A 69 69.597 4.009 -6.164 1.00 0.00 O ATOM 1059 CB ASP A 69 71.831 5.251 -7.285 1.00 0.00 C ATOM 1060 CG ASP A 69 72.973 6.267 -7.219 1.00 0.00 C ATOM 1061 OD1 ASP A 69 72.838 7.232 -6.485 1.00 0.00 O ATOM 1062 OD2 ASP A 69 73.961 6.063 -7.905 1.00 0.00 O ATOM 0 H ASP A 69 73.939 3.387 -6.165 1.00 0.00 H new ATOM 0 HA ASP A 69 72.257 4.726 -5.213 1.00 0.00 H new ATOM 0 HB2 ASP A 69 71.841 4.738 -8.247 1.00 0.00 H new ATOM 0 HB3 ASP A 69 70.871 5.761 -7.205 1.00 0.00 H new ATOM 1067 N ALA A 70 70.746 2.306 -5.388 1.00 0.00 N ATOM 1068 CA ALA A 70 69.500 1.531 -5.114 1.00 0.00 C ATOM 1069 C ALA A 70 68.507 2.400 -4.336 1.00 0.00 C ATOM 1070 O ALA A 70 68.739 2.759 -3.198 1.00 0.00 O ATOM 1071 CB ALA A 70 69.948 0.335 -4.269 1.00 0.00 C ATOM 0 H ALA A 70 71.616 1.831 -5.147 1.00 0.00 H new ATOM 0 HA ALA A 70 69.000 1.212 -6.029 1.00 0.00 H new ATOM 0 HB1 ALA A 70 69.084 -0.284 -4.027 1.00 0.00 H new ATOM 0 HB2 ALA A 70 70.672 -0.256 -4.830 1.00 0.00 H new ATOM 0 HB3 ALA A 70 70.408 0.692 -3.348 1.00 0.00 H new ATOM 1077 N GLU A 71 67.405 2.748 -4.944 1.00 0.00 N ATOM 1078 CA GLU A 71 66.401 3.601 -4.243 1.00 0.00 C ATOM 1079 C GLU A 71 65.512 2.748 -3.332 1.00 0.00 C ATOM 1080 O GLU A 71 64.715 1.954 -3.792 1.00 0.00 O ATOM 1081 CB GLU A 71 65.568 4.232 -5.360 1.00 0.00 C ATOM 1082 CG GLU A 71 66.438 5.205 -6.160 1.00 0.00 C ATOM 1083 CD GLU A 71 65.684 6.523 -6.363 1.00 0.00 C ATOM 1084 OE1 GLU A 71 64.647 6.693 -5.744 1.00 0.00 O ATOM 1085 OE2 GLU A 71 66.160 7.341 -7.134 1.00 0.00 O ATOM 0 H GLU A 71 67.156 2.479 -5.896 1.00 0.00 H new ATOM 0 HA GLU A 71 66.874 4.351 -3.609 1.00 0.00 H new ATOM 0 HB2 GLU A 71 65.174 3.456 -6.016 1.00 0.00 H new ATOM 0 HB3 GLU A 71 64.712 4.757 -4.937 1.00 0.00 H new ATOM 0 HG2 GLU A 71 67.375 5.388 -5.633 1.00 0.00 H new ATOM 0 HG3 GLU A 71 66.695 4.769 -7.125 1.00 0.00 H new ATOM 1092 N LEU A 72 65.642 2.911 -2.043 1.00 0.00 N ATOM 1093 CA LEU A 72 64.803 2.117 -1.099 1.00 0.00 C ATOM 1094 C LEU A 72 63.770 3.030 -0.431 1.00 0.00 C ATOM 1095 O LEU A 72 64.015 4.200 -0.213 1.00 0.00 O ATOM 1096 CB LEU A 72 65.787 1.571 -0.062 1.00 0.00 C ATOM 1097 CG LEU A 72 66.076 0.097 -0.351 1.00 0.00 C ATOM 1098 CD1 LEU A 72 66.657 -0.043 -1.759 1.00 0.00 C ATOM 1099 CD2 LEU A 72 67.087 -0.432 0.668 1.00 0.00 C ATOM 0 H LEU A 72 66.294 3.560 -1.602 1.00 0.00 H new ATOM 0 HA LEU A 72 64.253 1.318 -1.597 1.00 0.00 H new ATOM 0 HB2 LEU A 72 66.713 2.145 -0.088 1.00 0.00 H new ATOM 0 HB3 LEU A 72 65.372 1.681 0.940 1.00 0.00 H new ATOM 0 HG LEU A 72 65.151 -0.475 -0.280 1.00 0.00 H new ATOM 0 HD11 LEU A 72 66.863 -1.093 -1.965 1.00 0.00 H new ATOM 0 HD12 LEU A 72 65.940 0.336 -2.488 1.00 0.00 H new ATOM 0 HD13 LEU A 72 67.582 0.529 -1.829 1.00 0.00 H new ATOM 0 HD21 LEU A 72 67.294 -1.482 0.463 1.00 0.00 H new ATOM 0 HD22 LEU A 72 68.011 0.141 0.595 1.00 0.00 H new ATOM 0 HD23 LEU A 72 66.677 -0.332 1.673 1.00 0.00 H new ATOM 1111 N LEU A 73 62.615 2.513 -0.104 1.00 0.00 N ATOM 1112 CA LEU A 73 61.582 3.369 0.548 1.00 0.00 C ATOM 1113 C LEU A 73 60.996 2.667 1.775 1.00 0.00 C ATOM 1114 O LEU A 73 60.519 1.551 1.697 1.00 0.00 O ATOM 1115 CB LEU A 73 60.502 3.576 -0.512 1.00 0.00 C ATOM 1116 CG LEU A 73 59.421 4.506 0.043 1.00 0.00 C ATOM 1117 CD1 LEU A 73 59.546 5.884 -0.607 1.00 0.00 C ATOM 1118 CD2 LEU A 73 58.040 3.920 -0.262 1.00 0.00 C ATOM 0 H LEU A 73 62.344 1.542 -0.259 1.00 0.00 H new ATOM 0 HA LEU A 73 62.001 4.314 0.895 1.00 0.00 H new ATOM 0 HB2 LEU A 73 60.939 4.005 -1.414 1.00 0.00 H new ATOM 0 HB3 LEU A 73 60.064 2.618 -0.794 1.00 0.00 H new ATOM 0 HG LEU A 73 59.545 4.603 1.121 1.00 0.00 H new ATOM 0 HD11 LEU A 73 58.775 6.545 -0.210 1.00 0.00 H new ATOM 0 HD12 LEU A 73 60.529 6.301 -0.389 1.00 0.00 H new ATOM 0 HD13 LEU A 73 59.423 5.790 -1.686 1.00 0.00 H new ATOM 0 HD21 LEU A 73 57.269 4.581 0.133 1.00 0.00 H new ATOM 0 HD22 LEU A 73 57.917 3.822 -1.341 1.00 0.00 H new ATOM 0 HD23 LEU A 73 57.950 2.939 0.204 1.00 0.00 H new ATOM 1130 N LEU A 74 61.022 3.317 2.908 1.00 0.00 N ATOM 1131 CA LEU A 74 60.462 2.694 4.142 1.00 0.00 C ATOM 1132 C LEU A 74 58.942 2.557 4.014 1.00 0.00 C ATOM 1133 O LEU A 74 58.254 3.491 3.653 1.00 0.00 O ATOM 1134 CB LEU A 74 60.820 3.663 5.271 1.00 0.00 C ATOM 1135 CG LEU A 74 61.058 2.878 6.563 1.00 0.00 C ATOM 1136 CD1 LEU A 74 62.130 1.814 6.325 1.00 0.00 C ATOM 1137 CD2 LEU A 74 61.528 3.834 7.664 1.00 0.00 C ATOM 0 H LEU A 74 61.407 4.253 3.032 1.00 0.00 H new ATOM 0 HA LEU A 74 60.860 1.695 4.322 1.00 0.00 H new ATOM 0 HB2 LEU A 74 61.713 4.230 5.008 1.00 0.00 H new ATOM 0 HB3 LEU A 74 60.015 4.384 5.414 1.00 0.00 H new ATOM 0 HG LEU A 74 60.129 2.397 6.869 1.00 0.00 H new ATOM 0 HD11 LEU A 74 62.299 1.255 7.246 1.00 0.00 H new ATOM 0 HD12 LEU A 74 61.798 1.132 5.542 1.00 0.00 H new ATOM 0 HD13 LEU A 74 63.058 2.295 6.017 1.00 0.00 H new ATOM 0 HD21 LEU A 74 61.697 3.274 8.584 1.00 0.00 H new ATOM 0 HD22 LEU A 74 62.456 4.315 7.356 1.00 0.00 H new ATOM 0 HD23 LEU A 74 60.765 4.593 7.836 1.00 0.00 H new ATOM 1149 N LEU A 75 58.413 1.401 4.305 1.00 0.00 N ATOM 1150 CA LEU A 75 56.939 1.208 4.199 1.00 0.00 C ATOM 1151 C LEU A 75 56.474 0.207 5.257 1.00 0.00 C ATOM 1152 O LEU A 75 57.255 -0.564 5.772 1.00 0.00 O ATOM 1153 CB LEU A 75 56.719 0.657 2.786 1.00 0.00 C ATOM 1154 CG LEU A 75 55.340 0.003 2.691 1.00 0.00 C ATOM 1155 CD1 LEU A 75 54.827 0.105 1.253 1.00 0.00 C ATOM 1156 CD2 LEU A 75 55.446 -1.470 3.088 1.00 0.00 C ATOM 0 H LEU A 75 58.937 0.582 4.612 1.00 0.00 H new ATOM 0 HA LEU A 75 56.377 2.127 4.364 1.00 0.00 H new ATOM 0 HB2 LEU A 75 56.800 1.462 2.056 1.00 0.00 H new ATOM 0 HB3 LEU A 75 57.494 -0.071 2.545 1.00 0.00 H new ATOM 0 HG LEU A 75 54.649 0.513 3.363 1.00 0.00 H new ATOM 0 HD11 LEU A 75 53.844 -0.361 1.183 1.00 0.00 H new ATOM 0 HD12 LEU A 75 54.753 1.154 0.967 1.00 0.00 H new ATOM 0 HD13 LEU A 75 55.519 -0.406 0.583 1.00 0.00 H new ATOM 0 HD21 LEU A 75 54.463 -1.937 3.020 1.00 0.00 H new ATOM 0 HD22 LEU A 75 56.136 -1.979 2.416 1.00 0.00 H new ATOM 0 HD23 LEU A 75 55.814 -1.545 4.111 1.00 0.00 H new ATOM 1168 N THR A 76 55.214 0.214 5.592 1.00 0.00 N ATOM 1169 CA THR A 76 54.719 -0.743 6.623 1.00 0.00 C ATOM 1170 C THR A 76 53.281 -1.166 6.311 1.00 0.00 C ATOM 1171 O THR A 76 52.706 -0.764 5.318 1.00 0.00 O ATOM 1172 CB THR A 76 54.779 0.028 7.942 1.00 0.00 C ATOM 1173 OG1 THR A 76 53.736 0.993 7.974 1.00 0.00 O ATOM 1174 CG2 THR A 76 56.132 0.731 8.061 1.00 0.00 C ATOM 0 H THR A 76 54.508 0.837 5.200 1.00 0.00 H new ATOM 0 HA THR A 76 55.315 -1.655 6.657 1.00 0.00 H new ATOM 0 HB THR A 76 54.657 -0.665 8.775 1.00 0.00 H new ATOM 0 HG1 THR A 76 53.773 1.486 8.820 1.00 0.00 H new ATOM 0 HG21 THR A 76 56.175 1.281 9.001 1.00 0.00 H new ATOM 0 HG22 THR A 76 56.931 -0.010 8.037 1.00 0.00 H new ATOM 0 HG23 THR A 76 56.256 1.425 7.229 1.00 0.00 H new ATOM 1182 N ALA A 77 52.696 -1.976 7.152 1.00 0.00 N ATOM 1183 CA ALA A 77 51.297 -2.428 6.904 1.00 0.00 C ATOM 1184 C ALA A 77 50.356 -1.225 6.843 1.00 0.00 C ATOM 1185 O ALA A 77 49.401 -1.209 6.091 1.00 0.00 O ATOM 1186 CB ALA A 77 50.950 -3.319 8.097 1.00 0.00 C ATOM 0 H ALA A 77 53.127 -2.344 8.000 1.00 0.00 H new ATOM 0 HA ALA A 77 51.197 -2.958 5.957 1.00 0.00 H new ATOM 0 HB1 ALA A 77 49.932 -3.692 7.988 1.00 0.00 H new ATOM 0 HB2 ALA A 77 51.643 -4.160 8.137 1.00 0.00 H new ATOM 0 HB3 ALA A 77 51.028 -2.741 9.018 1.00 0.00 H new ATOM 1192 N GLY A 78 50.618 -0.217 7.626 1.00 0.00 N ATOM 1193 CA GLY A 78 49.741 0.985 7.608 1.00 0.00 C ATOM 1194 C GLY A 78 50.178 1.913 6.475 1.00 0.00 C ATOM 1195 O GLY A 78 49.747 3.046 6.384 1.00 0.00 O ATOM 0 H GLY A 78 51.402 -0.174 8.278 1.00 0.00 H new ATOM 0 HA2 GLY A 78 48.701 0.689 7.470 1.00 0.00 H new ATOM 0 HA3 GLY A 78 49.800 1.506 8.563 1.00 0.00 H new ATOM 1199 N GLU A 79 51.035 1.443 5.607 1.00 0.00 N ATOM 1200 CA GLU A 79 51.500 2.302 4.481 1.00 0.00 C ATOM 1201 C GLU A 79 51.651 1.473 3.204 1.00 0.00 C ATOM 1202 O GLU A 79 51.867 0.278 3.247 1.00 0.00 O ATOM 1203 CB GLU A 79 52.857 2.839 4.934 1.00 0.00 C ATOM 1204 CG GLU A 79 52.801 4.364 5.009 1.00 0.00 C ATOM 1205 CD GLU A 79 53.977 4.877 5.841 1.00 0.00 C ATOM 1206 OE1 GLU A 79 54.638 4.061 6.462 1.00 0.00 O ATOM 1207 OE2 GLU A 79 54.196 6.076 5.844 1.00 0.00 O ATOM 0 H GLU A 79 51.432 0.504 5.630 1.00 0.00 H new ATOM 0 HA GLU A 79 50.796 3.102 4.254 1.00 0.00 H new ATOM 0 HB2 GLU A 79 53.117 2.425 5.908 1.00 0.00 H new ATOM 0 HB3 GLU A 79 53.635 2.527 4.237 1.00 0.00 H new ATOM 0 HG2 GLU A 79 52.838 4.790 4.006 1.00 0.00 H new ATOM 0 HG3 GLU A 79 51.859 4.682 5.456 1.00 0.00 H new ATOM 1214 N THR A 80 51.539 2.101 2.066 1.00 0.00 N ATOM 1215 CA THR A 80 51.674 1.356 0.783 1.00 0.00 C ATOM 1216 C THR A 80 52.226 2.282 -0.303 1.00 0.00 C ATOM 1217 O THR A 80 51.878 3.444 -0.375 1.00 0.00 O ATOM 1218 CB THR A 80 50.254 0.909 0.433 1.00 0.00 C ATOM 1219 OG1 THR A 80 49.322 1.608 1.248 1.00 0.00 O ATOM 1220 CG2 THR A 80 50.116 -0.595 0.671 1.00 0.00 C ATOM 0 H THR A 80 51.359 3.100 1.969 1.00 0.00 H new ATOM 0 HA THR A 80 52.358 0.511 0.863 1.00 0.00 H new ATOM 0 HB THR A 80 50.054 1.128 -0.616 1.00 0.00 H new ATOM 0 HG1 THR A 80 48.412 1.323 1.023 1.00 0.00 H new ATOM 0 HG21 THR A 80 49.103 -0.912 0.421 1.00 0.00 H new ATOM 0 HG22 THR A 80 50.829 -1.130 0.043 1.00 0.00 H new ATOM 0 HG23 THR A 80 50.317 -0.818 1.719 1.00 0.00 H new ATOM 1228 N TRP A 81 53.082 1.780 -1.150 1.00 0.00 N ATOM 1229 CA TRP A 81 53.651 2.638 -2.229 1.00 0.00 C ATOM 1230 C TRP A 81 53.192 2.141 -3.602 1.00 0.00 C ATOM 1231 O TRP A 81 53.301 0.973 -3.918 1.00 0.00 O ATOM 1232 CB TRP A 81 55.167 2.497 -2.089 1.00 0.00 C ATOM 1233 CG TRP A 81 55.832 3.082 -3.294 1.00 0.00 C ATOM 1234 CD1 TRP A 81 56.872 2.523 -3.956 1.00 0.00 C ATOM 1235 CD2 TRP A 81 55.523 4.324 -3.990 1.00 0.00 C ATOM 1236 NE1 TRP A 81 57.220 3.344 -5.014 1.00 0.00 N ATOM 1237 CE2 TRP A 81 56.419 4.467 -5.076 1.00 0.00 C ATOM 1238 CE3 TRP A 81 54.562 5.330 -3.786 1.00 0.00 C ATOM 1239 CZ2 TRP A 81 56.362 5.569 -5.929 1.00 0.00 C ATOM 1240 CZ3 TRP A 81 54.503 6.441 -4.642 1.00 0.00 C ATOM 1241 CH2 TRP A 81 55.401 6.560 -5.713 1.00 0.00 C ATOM 0 H TRP A 81 53.412 0.815 -1.142 1.00 0.00 H new ATOM 0 HA TRP A 81 53.327 3.675 -2.143 1.00 0.00 H new ATOM 0 HB2 TRP A 81 55.509 3.006 -1.188 1.00 0.00 H new ATOM 0 HB3 TRP A 81 55.438 1.446 -1.984 1.00 0.00 H new ATOM 0 HD1 TRP A 81 57.351 1.590 -3.700 1.00 0.00 H new ATOM 0 HE1 TRP A 81 57.976 3.144 -5.669 1.00 0.00 H new ATOM 0 HE3 TRP A 81 53.865 5.247 -2.965 1.00 0.00 H new ATOM 0 HZ2 TRP A 81 57.056 5.656 -6.752 1.00 0.00 H new ATOM 0 HZ3 TRP A 81 53.762 7.209 -4.475 1.00 0.00 H new ATOM 0 HH2 TRP A 81 55.350 7.416 -6.369 1.00 0.00 H new ATOM 1252 N HIS A 82 52.678 3.020 -4.419 1.00 0.00 N ATOM 1253 CA HIS A 82 52.213 2.597 -5.772 1.00 0.00 C ATOM 1254 C HIS A 82 53.404 2.162 -6.629 1.00 0.00 C ATOM 1255 O HIS A 82 53.571 0.998 -6.932 1.00 0.00 O ATOM 1256 CB HIS A 82 51.551 3.839 -6.368 1.00 0.00 C ATOM 1257 CG HIS A 82 51.047 3.524 -7.749 1.00 0.00 C ATOM 1258 ND1 HIS A 82 50.230 2.435 -8.007 1.00 0.00 N ATOM 1259 CD2 HIS A 82 51.237 4.146 -8.958 1.00 0.00 C ATOM 1260 CE1 HIS A 82 49.961 2.433 -9.326 1.00 0.00 C ATOM 1261 NE2 HIS A 82 50.550 3.454 -9.953 1.00 0.00 N ATOM 0 H HIS A 82 52.560 4.011 -4.209 1.00 0.00 H new ATOM 0 HA HIS A 82 51.528 1.750 -5.727 1.00 0.00 H new ATOM 0 HB2 HIS A 82 50.726 4.165 -5.734 1.00 0.00 H new ATOM 0 HB3 HIS A 82 52.266 4.661 -6.409 1.00 0.00 H new ATOM 0 HD2 HIS A 82 51.829 5.036 -9.114 1.00 0.00 H new ATOM 0 HE1 HIS A 82 49.344 1.695 -9.817 1.00 0.00 H new ATOM 0 HE2 HIS A 82 50.506 3.679 -10.947 1.00 0.00 H new ATOM 1269 N GLY A 83 54.233 3.090 -7.022 1.00 0.00 N ATOM 1270 CA GLY A 83 55.413 2.732 -7.858 1.00 0.00 C ATOM 1271 C GLY A 83 55.747 3.894 -8.793 1.00 0.00 C ATOM 1272 O GLY A 83 54.886 4.443 -9.452 1.00 0.00 O ATOM 0 H GLY A 83 54.144 4.082 -6.800 1.00 0.00 H new ATOM 0 HA2 GLY A 83 56.268 2.506 -7.221 1.00 0.00 H new ATOM 0 HA3 GLY A 83 55.202 1.834 -8.438 1.00 0.00 H new ATOM 1276 N TYR A 84 56.992 4.278 -8.854 1.00 0.00 N ATOM 1277 CA TYR A 84 57.384 5.408 -9.744 1.00 0.00 C ATOM 1278 C TYR A 84 57.145 5.042 -11.211 1.00 0.00 C ATOM 1279 O TYR A 84 57.393 3.930 -11.633 1.00 0.00 O ATOM 1280 CB TYR A 84 58.876 5.617 -9.481 1.00 0.00 C ATOM 1281 CG TYR A 84 59.318 6.913 -10.111 1.00 0.00 C ATOM 1282 CD1 TYR A 84 58.606 8.091 -9.861 1.00 0.00 C ATOM 1283 CD2 TYR A 84 60.441 6.937 -10.946 1.00 0.00 C ATOM 1284 CE1 TYR A 84 59.017 9.296 -10.447 1.00 0.00 C ATOM 1285 CE2 TYR A 84 60.852 8.140 -11.532 1.00 0.00 C ATOM 1286 CZ TYR A 84 60.140 9.320 -11.282 1.00 0.00 C ATOM 1287 OH TYR A 84 60.544 10.506 -11.859 1.00 0.00 O ATOM 0 H TYR A 84 57.756 3.858 -8.325 1.00 0.00 H new ATOM 0 HA TYR A 84 56.802 6.308 -9.546 1.00 0.00 H new ATOM 0 HB2 TYR A 84 59.068 5.637 -8.408 1.00 0.00 H new ATOM 0 HB3 TYR A 84 59.449 4.786 -9.892 1.00 0.00 H new ATOM 0 HD1 TYR A 84 57.740 8.072 -9.216 1.00 0.00 H new ATOM 0 HD2 TYR A 84 60.990 6.027 -11.138 1.00 0.00 H new ATOM 0 HE1 TYR A 84 58.467 10.206 -10.254 1.00 0.00 H new ATOM 0 HE2 TYR A 84 61.718 8.158 -12.177 1.00 0.00 H new ATOM 0 HH TYR A 84 61.340 10.348 -12.408 1.00 0.00 H new