USER MOD reduce.3.24.130724 H: found=0, std=0, add=425, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 426 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 46 THR OG1 : rot -91:sc= -1.81! USER MOD Set 1.2: A 51 THR OG1 : rot -91:sc= 0.953 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 THR OG1 : rot 180:sc= 0.979 USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 THR OG1 : rot 180:sc=-0.00629 USER MOD Single : A 37 MET CE :methyl -167:sc= -0.198 (180deg=-0.761) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 40 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 SER OG : rot 65:sc= 1.27 USER MOD Single : A 48 LYS NZ :NH3+ 161:sc= 0 (180deg=-0.22) USER MOD Single : A 56 SER OG : rot -159:sc= 0.8 USER MOD Single : A 57 ASN : amide:sc= -0.0128 X(o=-0.013,f=0) USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 59 N GLY A 7 -11.234 -3.516 -0.923 1.00 0.00 N ATOM 60 CA GLY A 7 -9.921 -2.960 -0.654 1.00 0.00 C ATOM 61 C GLY A 7 -9.913 -2.055 0.562 1.00 0.00 C ATOM 62 O GLY A 7 -10.742 -1.152 0.679 1.00 0.00 O ATOM 0 HA2 GLY A 7 -9.210 -3.772 -0.503 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -9.583 -2.397 -1.524 1.00 0.00 H new ATOM 66 N LYS A 8 -8.975 -2.297 1.471 1.00 0.00 N ATOM 67 CA LYS A 8 -8.861 -1.497 2.685 1.00 0.00 C ATOM 68 C LYS A 8 -8.056 -0.228 2.427 1.00 0.00 C ATOM 69 O LYS A 8 -7.273 -0.159 1.480 1.00 0.00 O ATOM 70 CB LYS A 8 -8.202 -2.315 3.799 1.00 0.00 C ATOM 71 CG LYS A 8 -9.170 -3.213 4.549 1.00 0.00 C ATOM 72 CD LYS A 8 -8.656 -3.549 5.938 1.00 0.00 C ATOM 73 CE LYS A 8 -9.757 -4.128 6.814 1.00 0.00 C ATOM 74 NZ LYS A 8 -10.501 -3.065 7.545 1.00 0.00 N ATOM 0 H LYS A 8 -8.282 -3.041 1.390 1.00 0.00 H new ATOM 0 HA LYS A 8 -9.865 -1.211 2.998 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -7.410 -2.928 3.368 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -7.729 -1.634 4.507 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -10.139 -2.720 4.628 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -9.326 -4.133 3.985 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -7.837 -4.264 5.861 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -8.252 -2.651 6.405 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -10.451 -4.698 6.196 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -9.322 -4.825 7.530 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -11.242 -3.500 8.130 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -9.844 -2.538 8.154 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -10.937 -2.414 6.861 1.00 0.00 H new ATOM 88 N VAL A 9 -8.253 0.775 3.277 1.00 0.00 N ATOM 89 CA VAL A 9 -7.543 2.042 3.142 1.00 0.00 C ATOM 90 C VAL A 9 -6.623 2.285 4.333 1.00 0.00 C ATOM 91 O VAL A 9 -7.066 2.301 5.481 1.00 0.00 O ATOM 92 CB VAL A 9 -8.523 3.223 3.015 1.00 0.00 C ATOM 93 CG1 VAL A 9 -7.764 4.532 2.861 1.00 0.00 C ATOM 94 CG2 VAL A 9 -9.470 3.006 1.844 1.00 0.00 C ATOM 0 H VAL A 9 -8.898 0.735 4.066 1.00 0.00 H new ATOM 0 HA VAL A 9 -6.946 1.976 2.233 1.00 0.00 H new ATOM 0 HB VAL A 9 -9.117 3.280 3.927 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -8.473 5.355 2.773 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -7.131 4.690 3.734 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -7.144 4.490 1.966 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -10.155 3.850 1.769 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -8.895 2.923 0.922 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -10.039 2.090 2.001 1.00 0.00 H new ATOM 104 N PHE A 10 -5.338 2.475 4.052 1.00 0.00 N ATOM 105 CA PHE A 10 -4.353 2.718 5.100 1.00 0.00 C ATOM 106 C PHE A 10 -3.652 4.056 4.888 1.00 0.00 C ATOM 107 O PHE A 10 -3.414 4.471 3.753 1.00 0.00 O ATOM 108 CB PHE A 10 -3.322 1.588 5.132 1.00 0.00 C ATOM 109 CG PHE A 10 -3.827 0.335 5.788 1.00 0.00 C ATOM 110 CD1 PHE A 10 -4.720 -0.496 5.130 1.00 0.00 C ATOM 111 CD2 PHE A 10 -3.407 -0.013 7.062 1.00 0.00 C ATOM 112 CE1 PHE A 10 -5.186 -1.649 5.732 1.00 0.00 C ATOM 113 CE2 PHE A 10 -3.870 -1.166 7.669 1.00 0.00 C ATOM 114 CZ PHE A 10 -4.760 -1.986 7.002 1.00 0.00 C ATOM 0 H PHE A 10 -4.954 2.465 3.107 1.00 0.00 H new ATOM 0 HA PHE A 10 -4.876 2.750 6.056 1.00 0.00 H new ATOM 0 HB2 PHE A 10 -3.016 1.357 4.112 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -2.433 1.933 5.661 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -5.055 -0.239 4.136 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -2.710 0.624 7.587 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -5.883 -2.287 5.209 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -3.536 -1.425 8.663 1.00 0.00 H new ATOM 0 HZ PHE A 10 -5.122 -2.888 7.473 1.00 0.00 H new ATOM 124 N ARG A 11 -3.324 4.726 5.987 1.00 0.00 N ATOM 125 CA ARG A 11 -2.651 6.018 5.923 1.00 0.00 C ATOM 126 C ARG A 11 -1.204 5.902 6.393 1.00 0.00 C ATOM 127 O ARG A 11 -0.923 5.288 7.421 1.00 0.00 O ATOM 128 CB ARG A 11 -3.395 7.048 6.776 1.00 0.00 C ATOM 129 CG ARG A 11 -2.739 8.419 6.785 1.00 0.00 C ATOM 130 CD ARG A 11 -3.727 9.506 7.176 1.00 0.00 C ATOM 131 NE ARG A 11 -3.968 9.535 8.616 1.00 0.00 N ATOM 132 CZ ARG A 11 -4.692 10.470 9.221 1.00 0.00 C ATOM 133 NH1 ARG A 11 -5.244 11.447 8.515 1.00 0.00 N ATOM 134 NH2 ARG A 11 -4.866 10.429 10.536 1.00 0.00 N ATOM 0 H ARG A 11 -3.513 4.396 6.933 1.00 0.00 H new ATOM 0 HA ARG A 11 -2.652 6.348 4.884 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -4.415 7.145 6.405 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -3.461 6.680 7.800 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -1.902 8.418 7.483 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -2.331 8.635 5.798 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -3.346 10.475 6.853 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -4.670 9.344 6.654 1.00 0.00 H new ATOM 0 HE ARG A 11 -3.558 8.797 9.188 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -5.113 11.482 7.504 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -5.799 12.163 8.983 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -4.444 9.679 11.083 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -5.422 11.148 10.999 1.00 0.00 H new ATOM 148 N ALA A 12 -0.291 6.496 5.632 1.00 0.00 N ATOM 149 CA ALA A 12 1.127 6.461 5.972 1.00 0.00 C ATOM 150 C ALA A 12 1.430 7.370 7.157 1.00 0.00 C ATOM 151 O ALA A 12 1.463 8.594 7.022 1.00 0.00 O ATOM 152 CB ALA A 12 1.968 6.860 4.769 1.00 0.00 C ATOM 0 H ALA A 12 -0.507 7.007 4.776 1.00 0.00 H new ATOM 0 HA ALA A 12 1.382 5.440 6.257 1.00 0.00 H new ATOM 0 HB1 ALA A 12 3.024 6.830 5.037 1.00 0.00 H new ATOM 0 HB2 ALA A 12 1.782 6.167 3.949 1.00 0.00 H new ATOM 0 HB3 ALA A 12 1.702 7.870 4.458 1.00 0.00 H new ATOM 158 N LEU A 13 1.650 6.766 8.320 1.00 0.00 N ATOM 159 CA LEU A 13 1.951 7.522 9.531 1.00 0.00 C ATOM 160 C LEU A 13 3.194 8.384 9.340 1.00 0.00 C ATOM 161 O LEU A 13 3.314 9.458 9.929 1.00 0.00 O ATOM 162 CB LEU A 13 2.151 6.572 10.712 1.00 0.00 C ATOM 163 CG LEU A 13 0.980 5.643 11.033 1.00 0.00 C ATOM 164 CD1 LEU A 13 1.415 4.547 11.993 1.00 0.00 C ATOM 165 CD2 LEU A 13 -0.183 6.433 11.614 1.00 0.00 C ATOM 0 H LEU A 13 1.626 5.755 8.450 1.00 0.00 H new ATOM 0 HA LEU A 13 1.106 8.178 9.740 1.00 0.00 H new ATOM 0 HB2 LEU A 13 3.031 5.960 10.515 1.00 0.00 H new ATOM 0 HB3 LEU A 13 2.370 7.168 11.598 1.00 0.00 H new ATOM 0 HG LEU A 13 0.648 5.174 10.106 1.00 0.00 H new ATOM 0 HD11 LEU A 13 0.568 3.896 12.210 1.00 0.00 H new ATOM 0 HD12 LEU A 13 2.215 3.963 11.539 1.00 0.00 H new ATOM 0 HD13 LEU A 13 1.774 4.996 12.919 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -1.008 5.756 11.837 1.00 0.00 H new ATOM 0 HD22 LEU A 13 0.136 6.930 12.530 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -0.512 7.180 10.892 1.00 0.00 H new ATOM 177 N TYR A 14 4.116 7.908 8.511 1.00 0.00 N ATOM 178 CA TYR A 14 5.351 8.635 8.242 1.00 0.00 C ATOM 179 C TYR A 14 5.935 8.236 6.890 1.00 0.00 C ATOM 180 O TYR A 14 5.682 7.139 6.390 1.00 0.00 O ATOM 181 CB TYR A 14 6.374 8.372 9.349 1.00 0.00 C ATOM 182 CG TYR A 14 5.751 8.162 10.711 1.00 0.00 C ATOM 183 CD1 TYR A 14 5.313 6.905 11.110 1.00 0.00 C ATOM 184 CD2 TYR A 14 5.599 9.220 11.598 1.00 0.00 C ATOM 185 CE1 TYR A 14 4.743 6.708 12.353 1.00 0.00 C ATOM 186 CE2 TYR A 14 5.032 9.032 12.844 1.00 0.00 C ATOM 187 CZ TYR A 14 4.605 7.775 13.216 1.00 0.00 C ATOM 188 OH TYR A 14 4.038 7.584 14.455 1.00 0.00 O ATOM 0 H TYR A 14 4.032 7.022 8.013 1.00 0.00 H new ATOM 0 HA TYR A 14 5.118 9.699 8.217 1.00 0.00 H new ATOM 0 HB2 TYR A 14 6.962 7.492 9.088 1.00 0.00 H new ATOM 0 HB3 TYR A 14 7.065 9.213 9.401 1.00 0.00 H new ATOM 0 HD1 TYR A 14 5.420 6.067 10.437 1.00 0.00 H new ATOM 0 HD2 TYR A 14 5.930 10.207 11.309 1.00 0.00 H new ATOM 0 HE1 TYR A 14 4.408 5.724 12.647 1.00 0.00 H new ATOM 0 HE2 TYR A 14 4.924 9.865 13.523 1.00 0.00 H new ATOM 0 HH TYR A 14 4.016 8.436 14.939 1.00 0.00 H new ATOM 198 N THR A 15 6.720 9.134 6.303 1.00 0.00 N ATOM 199 CA THR A 15 7.340 8.878 5.010 1.00 0.00 C ATOM 200 C THR A 15 8.305 7.700 5.086 1.00 0.00 C ATOM 201 O THR A 15 9.294 7.741 5.818 1.00 0.00 O ATOM 202 CB THR A 15 8.100 10.116 4.496 1.00 0.00 C ATOM 203 OG1 THR A 15 7.196 11.217 4.344 1.00 0.00 O ATOM 204 CG2 THR A 15 8.777 9.822 3.166 1.00 0.00 C ATOM 0 H THR A 15 6.941 10.046 6.703 1.00 0.00 H new ATOM 0 HA THR A 15 6.534 8.640 4.315 1.00 0.00 H new ATOM 0 HB THR A 15 8.867 10.374 5.226 1.00 0.00 H new ATOM 0 HG1 THR A 15 7.687 12.001 4.019 1.00 0.00 H new ATOM 0 HG21 THR A 15 9.307 10.711 2.823 1.00 0.00 H new ATOM 0 HG22 THR A 15 9.485 9.003 3.291 1.00 0.00 H new ATOM 0 HG23 THR A 15 8.025 9.541 2.429 1.00 0.00 H new ATOM 212 N PHE A 16 8.011 6.651 4.325 1.00 0.00 N ATOM 213 CA PHE A 16 8.853 5.460 4.307 1.00 0.00 C ATOM 214 C PHE A 16 9.707 5.417 3.044 1.00 0.00 C ATOM 215 O PHE A 16 9.319 5.945 2.002 1.00 0.00 O ATOM 216 CB PHE A 16 7.991 4.199 4.397 1.00 0.00 C ATOM 217 CG PHE A 16 8.733 2.940 4.048 1.00 0.00 C ATOM 218 CD1 PHE A 16 9.799 2.511 4.822 1.00 0.00 C ATOM 219 CD2 PHE A 16 8.364 2.187 2.945 1.00 0.00 C ATOM 220 CE1 PHE A 16 10.483 1.353 4.504 1.00 0.00 C ATOM 221 CE2 PHE A 16 9.044 1.028 2.622 1.00 0.00 C ATOM 222 CZ PHE A 16 10.106 0.611 3.402 1.00 0.00 C ATOM 0 H PHE A 16 7.197 6.601 3.713 1.00 0.00 H new ATOM 0 HA PHE A 16 9.516 5.501 5.171 1.00 0.00 H new ATOM 0 HB2 PHE A 16 7.596 4.110 5.409 1.00 0.00 H new ATOM 0 HB3 PHE A 16 7.136 4.304 3.729 1.00 0.00 H new ATOM 0 HD1 PHE A 16 10.099 3.088 5.684 1.00 0.00 H new ATOM 0 HD2 PHE A 16 7.536 2.509 2.331 1.00 0.00 H new ATOM 0 HE1 PHE A 16 11.311 1.029 5.117 1.00 0.00 H new ATOM 0 HE2 PHE A 16 8.746 0.449 1.761 1.00 0.00 H new ATOM 0 HZ PHE A 16 10.640 -0.293 3.150 1.00 0.00 H new ATOM 232 N GLU A 17 10.873 4.786 3.146 1.00 0.00 N ATOM 233 CA GLU A 17 11.783 4.675 2.011 1.00 0.00 C ATOM 234 C GLU A 17 12.018 3.213 1.643 1.00 0.00 C ATOM 235 O GLU A 17 12.616 2.445 2.397 1.00 0.00 O ATOM 236 CB GLU A 17 13.117 5.353 2.331 1.00 0.00 C ATOM 237 CG GLU A 17 13.035 6.870 2.370 1.00 0.00 C ATOM 238 CD GLU A 17 12.555 7.394 3.709 1.00 0.00 C ATOM 239 OE1 GLU A 17 13.223 7.117 4.728 1.00 0.00 O ATOM 240 OE2 GLU A 17 11.514 8.082 3.739 1.00 0.00 O ATOM 0 H GLU A 17 11.209 4.344 4.002 1.00 0.00 H new ATOM 0 HA GLU A 17 11.324 5.176 1.159 1.00 0.00 H new ATOM 0 HB2 GLU A 17 13.476 4.992 3.295 1.00 0.00 H new ATOM 0 HB3 GLU A 17 13.854 5.056 1.585 1.00 0.00 H new ATOM 0 HG2 GLU A 17 14.017 7.289 2.151 1.00 0.00 H new ATOM 0 HG3 GLU A 17 12.360 7.214 1.586 1.00 0.00 H new ATOM 247 N PRO A 18 11.535 2.818 0.455 1.00 0.00 N ATOM 248 CA PRO A 18 11.680 1.446 -0.041 1.00 0.00 C ATOM 249 C PRO A 18 13.123 1.111 -0.405 1.00 0.00 C ATOM 250 O PRO A 18 13.723 1.759 -1.262 1.00 0.00 O ATOM 251 CB PRO A 18 10.795 1.425 -1.289 1.00 0.00 C ATOM 252 CG PRO A 18 10.745 2.843 -1.742 1.00 0.00 C ATOM 253 CD PRO A 18 10.812 3.679 -0.494 1.00 0.00 C ATOM 0 HA PRO A 18 11.398 0.709 0.711 1.00 0.00 H new ATOM 0 HB2 PRO A 18 11.213 0.778 -2.060 1.00 0.00 H new ATOM 0 HB3 PRO A 18 9.798 1.047 -1.061 1.00 0.00 H new ATOM 0 HG2 PRO A 18 11.577 3.069 -2.408 1.00 0.00 H new ATOM 0 HG3 PRO A 18 9.829 3.043 -2.297 1.00 0.00 H new ATOM 0 HD2 PRO A 18 11.339 4.617 -0.667 1.00 0.00 H new ATOM 0 HD3 PRO A 18 9.818 3.934 -0.128 1.00 0.00 H new ATOM 261 N ARG A 19 13.673 0.094 0.251 1.00 0.00 N ATOM 262 CA ARG A 19 15.045 -0.326 -0.003 1.00 0.00 C ATOM 263 C ARG A 19 15.127 -1.182 -1.264 1.00 0.00 C ATOM 264 O ARG A 19 16.172 -1.256 -1.911 1.00 0.00 O ATOM 265 CB ARG A 19 15.592 -1.108 1.193 1.00 0.00 C ATOM 266 CG ARG A 19 15.265 -0.475 2.535 1.00 0.00 C ATOM 267 CD ARG A 19 15.639 0.999 2.562 1.00 0.00 C ATOM 268 NE ARG A 19 17.080 1.200 2.446 1.00 0.00 N ATOM 269 CZ ARG A 19 17.697 2.323 2.799 1.00 0.00 C ATOM 270 NH1 ARG A 19 17.000 3.340 3.287 1.00 0.00 N ATOM 271 NH2 ARG A 19 19.012 2.429 2.664 1.00 0.00 N ATOM 0 H ARG A 19 13.189 -0.454 0.962 1.00 0.00 H new ATOM 0 HA ARG A 19 15.650 0.568 -0.151 1.00 0.00 H new ATOM 0 HB2 ARG A 19 15.188 -2.120 1.170 1.00 0.00 H new ATOM 0 HB3 ARG A 19 16.674 -1.194 1.096 1.00 0.00 H new ATOM 0 HG2 ARG A 19 14.200 -0.585 2.741 1.00 0.00 H new ATOM 0 HG3 ARG A 19 15.799 -1.001 3.326 1.00 0.00 H new ATOM 0 HD2 ARG A 19 15.134 1.516 1.746 1.00 0.00 H new ATOM 0 HD3 ARG A 19 15.284 1.446 3.491 1.00 0.00 H new ATOM 0 HE ARG A 19 17.645 0.437 2.073 1.00 0.00 H new ATOM 0 HH11 ARG A 19 15.988 3.261 3.392 1.00 0.00 H new ATOM 0 HH12 ARG A 19 17.475 4.201 3.557 1.00 0.00 H new ATOM 0 HH21 ARG A 19 19.551 1.648 2.289 1.00 0.00 H new ATOM 0 HH22 ARG A 19 19.485 3.291 2.935 1.00 0.00 H new ATOM 285 N THR A 20 14.016 -1.827 -1.608 1.00 0.00 N ATOM 286 CA THR A 20 13.962 -2.679 -2.789 1.00 0.00 C ATOM 287 C THR A 20 13.108 -2.048 -3.883 1.00 0.00 C ATOM 288 O THR A 20 12.151 -1.321 -3.615 1.00 0.00 O ATOM 289 CB THR A 20 13.397 -4.072 -2.452 1.00 0.00 C ATOM 290 OG1 THR A 20 11.966 -4.024 -2.417 1.00 0.00 O ATOM 291 CG2 THR A 20 13.927 -4.561 -1.113 1.00 0.00 C ATOM 0 H THR A 20 13.142 -1.775 -1.085 1.00 0.00 H new ATOM 0 HA THR A 20 14.986 -2.787 -3.147 1.00 0.00 H new ATOM 0 HB THR A 20 13.718 -4.768 -3.227 1.00 0.00 H new ATOM 0 HG1 THR A 20 11.614 -4.913 -2.204 1.00 0.00 H new ATOM 0 HG21 THR A 20 13.514 -5.546 -0.896 1.00 0.00 H new ATOM 0 HG22 THR A 20 15.014 -4.624 -1.153 1.00 0.00 H new ATOM 0 HG23 THR A 20 13.633 -3.864 -0.329 1.00 0.00 H new ATOM 299 N PRO A 21 13.460 -2.330 -5.146 1.00 0.00 N ATOM 300 CA PRO A 21 12.737 -1.801 -6.306 1.00 0.00 C ATOM 301 C PRO A 21 11.348 -2.412 -6.453 1.00 0.00 C ATOM 302 O PRO A 21 10.615 -2.094 -7.389 1.00 0.00 O ATOM 303 CB PRO A 21 13.624 -2.199 -7.489 1.00 0.00 C ATOM 304 CG PRO A 21 14.375 -3.394 -7.013 1.00 0.00 C ATOM 305 CD PRO A 21 14.590 -3.189 -5.539 1.00 0.00 C ATOM 0 HA PRO A 21 12.567 -0.727 -6.224 1.00 0.00 H new ATOM 0 HB2 PRO A 21 13.027 -2.432 -8.371 1.00 0.00 H new ATOM 0 HB3 PRO A 21 14.301 -1.391 -7.766 1.00 0.00 H new ATOM 0 HG2 PRO A 21 13.813 -4.309 -7.202 1.00 0.00 H new ATOM 0 HG3 PRO A 21 15.326 -3.491 -7.536 1.00 0.00 H new ATOM 0 HD2 PRO A 21 14.584 -4.134 -4.997 1.00 0.00 H new ATOM 0 HD3 PRO A 21 15.548 -2.711 -5.335 1.00 0.00 H new ATOM 313 N ASP A 22 10.993 -3.291 -5.522 1.00 0.00 N ATOM 314 CA ASP A 22 9.690 -3.946 -5.547 1.00 0.00 C ATOM 315 C ASP A 22 8.732 -3.288 -4.559 1.00 0.00 C ATOM 316 O ASP A 22 7.523 -3.514 -4.609 1.00 0.00 O ATOM 317 CB ASP A 22 9.837 -5.433 -5.219 1.00 0.00 C ATOM 318 CG ASP A 22 10.211 -6.259 -6.434 1.00 0.00 C ATOM 319 OD1 ASP A 22 9.886 -5.835 -7.563 1.00 0.00 O ATOM 320 OD2 ASP A 22 10.828 -7.330 -6.257 1.00 0.00 O ATOM 0 H ASP A 22 11.589 -3.566 -4.741 1.00 0.00 H new ATOM 0 HA ASP A 22 9.278 -3.841 -6.551 1.00 0.00 H new ATOM 0 HB2 ASP A 22 10.598 -5.559 -4.449 1.00 0.00 H new ATOM 0 HB3 ASP A 22 8.900 -5.805 -4.805 1.00 0.00 H new ATOM 325 N GLU A 23 9.281 -2.474 -3.663 1.00 0.00 N ATOM 326 CA GLU A 23 8.474 -1.785 -2.663 1.00 0.00 C ATOM 327 C GLU A 23 7.877 -0.502 -3.235 1.00 0.00 C ATOM 328 O GLU A 23 8.248 -0.063 -4.324 1.00 0.00 O ATOM 329 CB GLU A 23 9.318 -1.461 -1.428 1.00 0.00 C ATOM 330 CG GLU A 23 9.523 -2.649 -0.503 1.00 0.00 C ATOM 331 CD GLU A 23 10.645 -2.425 0.493 1.00 0.00 C ATOM 332 OE1 GLU A 23 10.629 -1.383 1.181 1.00 0.00 O ATOM 333 OE2 GLU A 23 11.538 -3.293 0.584 1.00 0.00 O ATOM 0 H GLU A 23 10.280 -2.276 -3.609 1.00 0.00 H new ATOM 0 HA GLU A 23 7.658 -2.447 -2.373 1.00 0.00 H new ATOM 0 HB2 GLU A 23 10.291 -1.090 -1.750 1.00 0.00 H new ATOM 0 HB3 GLU A 23 8.838 -0.656 -0.871 1.00 0.00 H new ATOM 0 HG2 GLU A 23 8.597 -2.849 0.037 1.00 0.00 H new ATOM 0 HG3 GLU A 23 9.742 -3.535 -1.099 1.00 0.00 H new ATOM 340 N LEU A 24 6.950 0.094 -2.493 1.00 0.00 N ATOM 341 CA LEU A 24 6.300 1.327 -2.926 1.00 0.00 C ATOM 342 C LEU A 24 6.665 2.486 -2.004 1.00 0.00 C ATOM 343 O LEU A 24 6.475 2.412 -0.790 1.00 0.00 O ATOM 344 CB LEU A 24 4.782 1.143 -2.956 1.00 0.00 C ATOM 345 CG LEU A 24 3.960 2.395 -3.261 1.00 0.00 C ATOM 346 CD1 LEU A 24 3.972 2.692 -4.753 1.00 0.00 C ATOM 347 CD2 LEU A 24 2.533 2.232 -2.759 1.00 0.00 C ATOM 0 H LEU A 24 6.632 -0.256 -1.589 1.00 0.00 H new ATOM 0 HA LEU A 24 6.651 1.561 -3.931 1.00 0.00 H new ATOM 0 HB2 LEU A 24 4.543 0.385 -3.702 1.00 0.00 H new ATOM 0 HB3 LEU A 24 4.465 0.751 -1.990 1.00 0.00 H new ATOM 0 HG LEU A 24 4.413 3.239 -2.740 1.00 0.00 H new ATOM 0 HD11 LEU A 24 3.382 3.587 -4.951 1.00 0.00 H new ATOM 0 HD12 LEU A 24 4.998 2.854 -5.084 1.00 0.00 H new ATOM 0 HD13 LEU A 24 3.545 1.848 -5.295 1.00 0.00 H new ATOM 0 HD21 LEU A 24 1.963 3.133 -2.985 1.00 0.00 H new ATOM 0 HD22 LEU A 24 2.070 1.377 -3.251 1.00 0.00 H new ATOM 0 HD23 LEU A 24 2.543 2.069 -1.681 1.00 0.00 H new ATOM 359 N TYR A 25 7.188 3.558 -2.590 1.00 0.00 N ATOM 360 CA TYR A 25 7.579 4.734 -1.822 1.00 0.00 C ATOM 361 C TYR A 25 6.393 5.672 -1.619 1.00 0.00 C ATOM 362 O TYR A 25 5.705 6.038 -2.572 1.00 0.00 O ATOM 363 CB TYR A 25 8.715 5.476 -2.529 1.00 0.00 C ATOM 364 CG TYR A 25 8.791 6.944 -2.176 1.00 0.00 C ATOM 365 CD1 TYR A 25 9.496 7.374 -1.058 1.00 0.00 C ATOM 366 CD2 TYR A 25 8.157 7.901 -2.959 1.00 0.00 C ATOM 367 CE1 TYR A 25 9.568 8.715 -0.731 1.00 0.00 C ATOM 368 CE2 TYR A 25 8.225 9.244 -2.640 1.00 0.00 C ATOM 369 CZ TYR A 25 8.931 9.645 -1.525 1.00 0.00 C ATOM 370 OH TYR A 25 9.000 10.982 -1.204 1.00 0.00 O ATOM 0 H TYR A 25 7.351 3.636 -3.594 1.00 0.00 H new ATOM 0 HA TYR A 25 7.925 4.399 -0.844 1.00 0.00 H new ATOM 0 HB2 TYR A 25 9.662 5.000 -2.275 1.00 0.00 H new ATOM 0 HB3 TYR A 25 8.587 5.376 -3.607 1.00 0.00 H new ATOM 0 HD1 TYR A 25 9.996 6.648 -0.434 1.00 0.00 H new ATOM 0 HD2 TYR A 25 7.602 7.590 -3.832 1.00 0.00 H new ATOM 0 HE1 TYR A 25 10.120 9.033 0.141 1.00 0.00 H new ATOM 0 HE2 TYR A 25 7.728 9.975 -3.260 1.00 0.00 H new ATOM 0 HH TYR A 25 8.499 11.503 -1.865 1.00 0.00 H new ATOM 380 N PHE A 26 6.159 6.057 -0.369 1.00 0.00 N ATOM 381 CA PHE A 26 5.056 6.952 -0.038 1.00 0.00 C ATOM 382 C PHE A 26 5.502 8.019 0.958 1.00 0.00 C ATOM 383 O PHE A 26 6.512 7.861 1.642 1.00 0.00 O ATOM 384 CB PHE A 26 3.883 6.158 0.539 1.00 0.00 C ATOM 385 CG PHE A 26 4.293 5.142 1.566 1.00 0.00 C ATOM 386 CD1 PHE A 26 4.801 3.913 1.179 1.00 0.00 C ATOM 387 CD2 PHE A 26 4.171 5.417 2.918 1.00 0.00 C ATOM 388 CE1 PHE A 26 5.181 2.976 2.121 1.00 0.00 C ATOM 389 CE2 PHE A 26 4.549 4.484 3.865 1.00 0.00 C ATOM 390 CZ PHE A 26 5.053 3.261 3.466 1.00 0.00 C ATOM 0 H PHE A 26 6.718 5.763 0.432 1.00 0.00 H new ATOM 0 HA PHE A 26 4.735 7.447 -0.954 1.00 0.00 H new ATOM 0 HB2 PHE A 26 3.172 6.851 0.989 1.00 0.00 H new ATOM 0 HB3 PHE A 26 3.363 5.651 -0.274 1.00 0.00 H new ATOM 0 HD1 PHE A 26 4.901 3.684 0.128 1.00 0.00 H new ATOM 0 HD2 PHE A 26 3.776 6.371 3.236 1.00 0.00 H new ATOM 0 HE1 PHE A 26 5.578 2.022 1.806 1.00 0.00 H new ATOM 0 HE2 PHE A 26 4.450 4.711 4.916 1.00 0.00 H new ATOM 0 HZ PHE A 26 5.346 2.530 4.204 1.00 0.00 H new ATOM 400 N GLU A 27 4.739 9.106 1.032 1.00 0.00 N ATOM 401 CA GLU A 27 5.056 10.200 1.943 1.00 0.00 C ATOM 402 C GLU A 27 4.049 10.263 3.088 1.00 0.00 C ATOM 403 O GLU A 27 2.924 9.780 2.965 1.00 0.00 O ATOM 404 CB GLU A 27 5.073 11.532 1.190 1.00 0.00 C ATOM 405 CG GLU A 27 6.170 11.625 0.143 1.00 0.00 C ATOM 406 CD GLU A 27 6.462 13.054 -0.270 1.00 0.00 C ATOM 407 OE1 GLU A 27 6.654 13.903 0.624 1.00 0.00 O ATOM 408 OE2 GLU A 27 6.499 13.323 -1.490 1.00 0.00 O ATOM 0 H GLU A 27 3.898 9.252 0.473 1.00 0.00 H new ATOM 0 HA GLU A 27 6.045 10.015 2.362 1.00 0.00 H new ATOM 0 HB2 GLU A 27 4.107 11.679 0.706 1.00 0.00 H new ATOM 0 HB3 GLU A 27 5.197 12.344 1.907 1.00 0.00 H new ATOM 0 HG2 GLU A 27 7.080 11.171 0.534 1.00 0.00 H new ATOM 0 HG3 GLU A 27 5.879 11.049 -0.735 1.00 0.00 H new ATOM 415 N GLU A 28 4.463 10.862 4.200 1.00 0.00 N ATOM 416 CA GLU A 28 3.598 10.987 5.367 1.00 0.00 C ATOM 417 C GLU A 28 2.260 11.616 4.988 1.00 0.00 C ATOM 418 O GLU A 28 2.215 12.682 4.375 1.00 0.00 O ATOM 419 CB GLU A 28 4.281 11.828 6.448 1.00 0.00 C ATOM 420 CG GLU A 28 3.418 12.056 7.678 1.00 0.00 C ATOM 421 CD GLU A 28 4.076 12.973 8.690 1.00 0.00 C ATOM 422 OE1 GLU A 28 5.253 12.730 9.032 1.00 0.00 O ATOM 423 OE2 GLU A 28 3.416 13.931 9.141 1.00 0.00 O ATOM 0 H GLU A 28 5.391 11.268 4.317 1.00 0.00 H new ATOM 0 HA GLU A 28 3.412 9.987 5.758 1.00 0.00 H new ATOM 0 HB2 GLU A 28 5.206 11.336 6.749 1.00 0.00 H new ATOM 0 HB3 GLU A 28 4.558 12.794 6.025 1.00 0.00 H new ATOM 0 HG2 GLU A 28 2.463 12.484 7.373 1.00 0.00 H new ATOM 0 HG3 GLU A 28 3.202 11.097 8.149 1.00 0.00 H new ATOM 430 N GLY A 29 1.173 10.946 5.357 1.00 0.00 N ATOM 431 CA GLY A 29 -0.151 11.453 5.047 1.00 0.00 C ATOM 432 C GLY A 29 -0.571 11.146 3.623 1.00 0.00 C ATOM 433 O GLY A 29 -1.019 12.033 2.896 1.00 0.00 O ATOM 0 H GLY A 29 1.185 10.062 5.865 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -0.874 11.018 5.737 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -0.169 12.532 5.203 1.00 0.00 H new ATOM 437 N ASP A 30 -0.424 9.888 3.223 1.00 0.00 N ATOM 438 CA ASP A 30 -0.791 9.466 1.877 1.00 0.00 C ATOM 439 C ASP A 30 -1.687 8.232 1.919 1.00 0.00 C ATOM 440 O ASP A 30 -1.366 7.242 2.577 1.00 0.00 O ATOM 441 CB ASP A 30 0.463 9.173 1.052 1.00 0.00 C ATOM 442 CG ASP A 30 1.064 10.426 0.446 1.00 0.00 C ATOM 443 OD1 ASP A 30 1.213 11.427 1.179 1.00 0.00 O ATOM 444 OD2 ASP A 30 1.385 10.406 -0.760 1.00 0.00 O ATOM 0 H ASP A 30 -0.053 9.143 3.812 1.00 0.00 H new ATOM 0 HA ASP A 30 -1.345 10.279 1.407 1.00 0.00 H new ATOM 0 HB2 ASP A 30 1.205 8.687 1.685 1.00 0.00 H new ATOM 0 HB3 ASP A 30 0.215 8.471 0.256 1.00 0.00 H new ATOM 449 N ILE A 31 -2.811 8.299 1.214 1.00 0.00 N ATOM 450 CA ILE A 31 -3.753 7.187 1.171 1.00 0.00 C ATOM 451 C ILE A 31 -3.171 6.003 0.407 1.00 0.00 C ATOM 452 O ILE A 31 -2.537 6.175 -0.635 1.00 0.00 O ATOM 453 CB ILE A 31 -5.084 7.602 0.518 1.00 0.00 C ATOM 454 CG1 ILE A 31 -5.607 8.893 1.150 1.00 0.00 C ATOM 455 CG2 ILE A 31 -6.110 6.486 0.652 1.00 0.00 C ATOM 456 CD1 ILE A 31 -6.177 8.699 2.537 1.00 0.00 C ATOM 0 H ILE A 31 -3.092 9.111 0.665 1.00 0.00 H new ATOM 0 HA ILE A 31 -3.941 6.892 2.203 1.00 0.00 H new ATOM 0 HB ILE A 31 -4.910 7.784 -0.543 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -4.796 9.619 1.198 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -6.377 9.317 0.506 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -7.046 6.794 0.186 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -5.737 5.588 0.159 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -6.283 6.275 1.707 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -6.529 9.656 2.923 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -7.010 7.997 2.493 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -5.404 8.304 3.196 1.00 0.00 H new ATOM 468 N ILE A 32 -3.393 4.801 0.930 1.00 0.00 N ATOM 469 CA ILE A 32 -2.893 3.588 0.294 1.00 0.00 C ATOM 470 C ILE A 32 -3.969 2.509 0.249 1.00 0.00 C ATOM 471 O ILE A 32 -4.755 2.361 1.185 1.00 0.00 O ATOM 472 CB ILE A 32 -1.658 3.036 1.030 1.00 0.00 C ATOM 473 CG1 ILE A 32 -0.623 4.144 1.237 1.00 0.00 C ATOM 474 CG2 ILE A 32 -1.053 1.877 0.251 1.00 0.00 C ATOM 475 CD1 ILE A 32 0.504 3.751 2.167 1.00 0.00 C ATOM 0 H ILE A 32 -3.915 4.642 1.792 1.00 0.00 H new ATOM 0 HA ILE A 32 -2.609 3.857 -0.723 1.00 0.00 H new ATOM 0 HB ILE A 32 -1.969 2.669 2.008 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -0.205 4.425 0.270 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -1.122 5.027 1.637 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -0.181 1.497 0.783 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -1.792 1.082 0.150 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -0.753 2.221 -0.739 1.00 0.00 H new ATOM 0 HD11 ILE A 32 1.200 4.584 2.268 1.00 0.00 H new ATOM 0 HD12 ILE A 32 0.097 3.498 3.146 1.00 0.00 H new ATOM 0 HD13 ILE A 32 1.028 2.887 1.758 1.00 0.00 H new ATOM 487 N TYR A 33 -3.996 1.755 -0.844 1.00 0.00 N ATOM 488 CA TYR A 33 -4.976 0.688 -1.013 1.00 0.00 C ATOM 489 C TYR A 33 -4.339 -0.679 -0.778 1.00 0.00 C ATOM 490 O TYR A 33 -3.496 -1.125 -1.556 1.00 0.00 O ATOM 491 CB TYR A 33 -5.587 0.744 -2.414 1.00 0.00 C ATOM 492 CG TYR A 33 -6.827 1.604 -2.499 1.00 0.00 C ATOM 493 CD1 TYR A 33 -6.735 2.970 -2.733 1.00 0.00 C ATOM 494 CD2 TYR A 33 -8.092 1.049 -2.347 1.00 0.00 C ATOM 495 CE1 TYR A 33 -7.867 3.759 -2.811 1.00 0.00 C ATOM 496 CE2 TYR A 33 -9.229 1.830 -2.425 1.00 0.00 C ATOM 497 CZ TYR A 33 -9.111 3.185 -2.657 1.00 0.00 C ATOM 498 OH TYR A 33 -10.240 3.967 -2.736 1.00 0.00 O ATOM 0 H TYR A 33 -3.351 1.863 -1.626 1.00 0.00 H new ATOM 0 HA TYR A 33 -5.764 0.834 -0.274 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -4.842 1.126 -3.111 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -5.834 -0.268 -2.734 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -5.762 3.423 -2.856 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -8.188 -0.011 -2.165 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -7.778 4.820 -2.992 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -10.205 1.382 -2.305 1.00 0.00 H new ATOM 0 HH TYR A 33 -11.035 3.408 -2.607 1.00 0.00 H new ATOM 508 N ILE A 34 -4.750 -1.338 0.300 1.00 0.00 N ATOM 509 CA ILE A 34 -4.222 -2.654 0.638 1.00 0.00 C ATOM 510 C ILE A 34 -5.264 -3.741 0.403 1.00 0.00 C ATOM 511 O ILE A 34 -6.209 -3.890 1.178 1.00 0.00 O ATOM 512 CB ILE A 34 -3.755 -2.714 2.104 1.00 0.00 C ATOM 513 CG1 ILE A 34 -2.673 -1.663 2.362 1.00 0.00 C ATOM 514 CG2 ILE A 34 -3.240 -4.106 2.439 1.00 0.00 C ATOM 515 CD1 ILE A 34 -1.423 -1.868 1.536 1.00 0.00 C ATOM 0 H ILE A 34 -5.447 -0.982 0.954 1.00 0.00 H new ATOM 0 HA ILE A 34 -3.366 -2.828 -0.014 1.00 0.00 H new ATOM 0 HB ILE A 34 -4.606 -2.497 2.750 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -3.080 -0.674 2.151 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -2.407 -1.679 3.419 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -2.913 -4.133 3.479 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -4.037 -4.834 2.290 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -2.400 -4.349 1.789 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -0.700 -1.087 1.771 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -0.992 -2.843 1.765 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -1.675 -1.822 0.477 1.00 0.00 H new ATOM 527 N THR A 35 -5.085 -4.502 -0.673 1.00 0.00 N ATOM 528 CA THR A 35 -6.010 -5.577 -1.011 1.00 0.00 C ATOM 529 C THR A 35 -5.400 -6.942 -0.710 1.00 0.00 C ATOM 530 O THR A 35 -6.092 -7.857 -0.264 1.00 0.00 O ATOM 531 CB THR A 35 -6.414 -5.525 -2.496 1.00 0.00 C ATOM 532 OG1 THR A 35 -5.283 -5.821 -3.323 1.00 0.00 O ATOM 533 CG2 THR A 35 -6.968 -4.155 -2.858 1.00 0.00 C ATOM 0 H THR A 35 -4.308 -4.394 -1.325 1.00 0.00 H new ATOM 0 HA THR A 35 -6.898 -5.434 -0.395 1.00 0.00 H new ATOM 0 HB THR A 35 -7.191 -6.271 -2.664 1.00 0.00 H new ATOM 0 HG1 THR A 35 -5.549 -5.787 -4.266 1.00 0.00 H new ATOM 0 HG21 THR A 35 -7.247 -4.142 -3.912 1.00 0.00 H new ATOM 0 HG22 THR A 35 -7.846 -3.945 -2.248 1.00 0.00 H new ATOM 0 HG23 THR A 35 -6.208 -3.395 -2.674 1.00 0.00 H new ATOM 541 N ASP A 36 -4.101 -7.071 -0.957 1.00 0.00 N ATOM 542 CA ASP A 36 -3.397 -8.324 -0.710 1.00 0.00 C ATOM 543 C ASP A 36 -2.605 -8.256 0.592 1.00 0.00 C ATOM 544 O ASP A 36 -1.619 -7.526 0.693 1.00 0.00 O ATOM 545 CB ASP A 36 -2.460 -8.645 -1.875 1.00 0.00 C ATOM 546 CG ASP A 36 -3.168 -9.364 -3.007 1.00 0.00 C ATOM 547 OD1 ASP A 36 -3.862 -8.690 -3.796 1.00 0.00 O ATOM 548 OD2 ASP A 36 -3.026 -10.601 -3.104 1.00 0.00 O ATOM 0 H ASP A 36 -3.514 -6.324 -1.328 1.00 0.00 H new ATOM 0 HA ASP A 36 -4.139 -9.117 -0.621 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -2.024 -7.720 -2.252 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -1.636 -9.262 -1.516 1.00 0.00 H new ATOM 553 N MET A 37 -3.044 -9.020 1.587 1.00 0.00 N ATOM 554 CA MET A 37 -2.376 -9.046 2.882 1.00 0.00 C ATOM 555 C MET A 37 -1.719 -10.401 3.129 1.00 0.00 C ATOM 556 O MET A 37 -1.786 -10.941 4.232 1.00 0.00 O ATOM 557 CB MET A 37 -3.374 -8.739 4.001 1.00 0.00 C ATOM 558 CG MET A 37 -3.758 -7.271 4.086 1.00 0.00 C ATOM 559 SD MET A 37 -5.020 -6.954 5.335 1.00 0.00 S ATOM 560 CE MET A 37 -5.139 -5.169 5.251 1.00 0.00 C ATOM 0 H MET A 37 -3.859 -9.629 1.521 1.00 0.00 H new ATOM 0 HA MET A 37 -1.599 -8.281 2.877 1.00 0.00 H new ATOM 0 HB2 MET A 37 -4.275 -9.333 3.847 1.00 0.00 H new ATOM 0 HB3 MET A 37 -2.946 -9.050 4.954 1.00 0.00 H new ATOM 0 HG2 MET A 37 -2.871 -6.680 4.313 1.00 0.00 H new ATOM 0 HG3 MET A 37 -4.122 -6.938 3.114 1.00 0.00 H new ATOM 0 HE1 MET A 37 -5.699 -4.801 6.110 1.00 0.00 H new ATOM 0 HE2 MET A 37 -4.138 -4.737 5.258 1.00 0.00 H new ATOM 0 HE3 MET A 37 -5.652 -4.881 4.333 1.00 0.00 H new ATOM 570 N SER A 38 -1.086 -10.943 2.094 1.00 0.00 N ATOM 571 CA SER A 38 -0.421 -12.237 2.197 1.00 0.00 C ATOM 572 C SER A 38 0.236 -12.402 3.564 1.00 0.00 C ATOM 573 O SER A 38 -0.168 -13.249 4.361 1.00 0.00 O ATOM 574 CB SER A 38 0.627 -12.385 1.093 1.00 0.00 C ATOM 575 OG SER A 38 0.024 -12.743 -0.138 1.00 0.00 O ATOM 0 H SER A 38 -1.019 -10.507 1.175 1.00 0.00 H new ATOM 0 HA SER A 38 -1.174 -13.016 2.079 1.00 0.00 H new ATOM 0 HB2 SER A 38 1.171 -11.448 0.976 1.00 0.00 H new ATOM 0 HB3 SER A 38 1.356 -13.143 1.379 1.00 0.00 H new ATOM 0 HG SER A 38 0.715 -12.830 -0.828 1.00 0.00 H new ATOM 581 N ASP A 39 1.251 -11.586 3.827 1.00 0.00 N ATOM 582 CA ASP A 39 1.965 -11.640 5.098 1.00 0.00 C ATOM 583 C ASP A 39 1.668 -10.404 5.941 1.00 0.00 C ATOM 584 O ASP A 39 1.025 -9.462 5.476 1.00 0.00 O ATOM 585 CB ASP A 39 3.470 -11.759 4.856 1.00 0.00 C ATOM 586 CG ASP A 39 3.841 -13.037 4.131 1.00 0.00 C ATOM 587 OD1 ASP A 39 3.620 -14.127 4.698 1.00 0.00 O ATOM 588 OD2 ASP A 39 4.352 -12.947 2.995 1.00 0.00 O ATOM 0 H ASP A 39 1.598 -10.880 3.178 1.00 0.00 H new ATOM 0 HA ASP A 39 1.622 -12.519 5.643 1.00 0.00 H new ATOM 0 HB2 ASP A 39 3.810 -10.903 4.274 1.00 0.00 H new ATOM 0 HB3 ASP A 39 3.993 -11.722 5.812 1.00 0.00 H new ATOM 593 N THR A 40 2.140 -10.413 7.184 1.00 0.00 N ATOM 594 CA THR A 40 1.923 -9.295 8.092 1.00 0.00 C ATOM 595 C THR A 40 3.164 -8.414 8.185 1.00 0.00 C ATOM 596 O THR A 40 3.277 -7.577 9.080 1.00 0.00 O ATOM 597 CB THR A 40 1.547 -9.782 9.504 1.00 0.00 C ATOM 598 OG1 THR A 40 0.844 -11.027 9.421 1.00 0.00 O ATOM 599 CG2 THR A 40 0.685 -8.754 10.220 1.00 0.00 C ATOM 0 H THR A 40 2.675 -11.183 7.584 1.00 0.00 H new ATOM 0 HA THR A 40 1.096 -8.713 7.684 1.00 0.00 H new ATOM 0 HB THR A 40 2.466 -9.921 10.073 1.00 0.00 H new ATOM 0 HG1 THR A 40 0.610 -11.331 10.323 1.00 0.00 H new ATOM 0 HG21 THR A 40 0.432 -9.121 11.215 1.00 0.00 H new ATOM 0 HG22 THR A 40 1.234 -7.816 10.307 1.00 0.00 H new ATOM 0 HG23 THR A 40 -0.230 -8.587 9.652 1.00 0.00 H new ATOM 607 N ASN A 41 4.092 -8.607 7.253 1.00 0.00 N ATOM 608 CA ASN A 41 5.325 -7.828 7.230 1.00 0.00 C ATOM 609 C ASN A 41 5.424 -7.003 5.951 1.00 0.00 C ATOM 610 O ASN A 41 5.883 -5.861 5.970 1.00 0.00 O ATOM 611 CB ASN A 41 6.538 -8.753 7.349 1.00 0.00 C ATOM 612 CG ASN A 41 6.489 -9.615 8.596 1.00 0.00 C ATOM 613 OD1 ASN A 41 6.888 -9.184 9.678 1.00 0.00 O ATOM 614 ND2 ASN A 41 5.997 -10.839 8.449 1.00 0.00 N ATOM 0 H ASN A 41 4.014 -9.295 6.504 1.00 0.00 H new ATOM 0 HA ASN A 41 5.311 -7.146 8.080 1.00 0.00 H new ATOM 0 HB2 ASN A 41 6.590 -9.394 6.469 1.00 0.00 H new ATOM 0 HB3 ASN A 41 7.448 -8.154 7.361 1.00 0.00 H new ATOM 0 HD21 ASN A 41 5.938 -11.465 9.252 1.00 0.00 H new ATOM 0 HD22 ASN A 41 5.678 -11.154 7.533 1.00 0.00 H new ATOM 621 N TRP A 42 4.990 -7.589 4.841 1.00 0.00 N ATOM 622 CA TRP A 42 5.028 -6.908 3.552 1.00 0.00 C ATOM 623 C TRP A 42 3.681 -7.005 2.844 1.00 0.00 C ATOM 624 O TRP A 42 3.321 -8.058 2.318 1.00 0.00 O ATOM 625 CB TRP A 42 6.126 -7.505 2.669 1.00 0.00 C ATOM 626 CG TRP A 42 7.502 -7.038 3.037 1.00 0.00 C ATOM 627 CD1 TRP A 42 8.548 -7.814 3.449 1.00 0.00 C ATOM 628 CD2 TRP A 42 7.981 -5.689 3.026 1.00 0.00 C ATOM 629 NE1 TRP A 42 9.648 -7.028 3.696 1.00 0.00 N ATOM 630 CE2 TRP A 42 9.326 -5.721 3.443 1.00 0.00 C ATOM 631 CE3 TRP A 42 7.405 -4.457 2.704 1.00 0.00 C ATOM 632 CZ2 TRP A 42 10.101 -4.569 3.546 1.00 0.00 C ATOM 633 CZ3 TRP A 42 8.175 -3.314 2.807 1.00 0.00 C ATOM 634 CH2 TRP A 42 9.512 -3.376 3.224 1.00 0.00 C ATOM 0 H TRP A 42 4.608 -8.534 4.808 1.00 0.00 H new ATOM 0 HA TRP A 42 5.247 -5.856 3.732 1.00 0.00 H new ATOM 0 HB2 TRP A 42 6.088 -8.592 2.739 1.00 0.00 H new ATOM 0 HB3 TRP A 42 5.928 -7.245 1.629 1.00 0.00 H new ATOM 0 HD1 TRP A 42 8.515 -8.887 3.564 1.00 0.00 H new ATOM 0 HE1 TRP A 42 10.557 -7.364 4.016 1.00 0.00 H new ATOM 0 HE3 TRP A 42 6.376 -4.399 2.380 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 11.131 -4.615 3.869 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 7.739 -2.357 2.562 1.00 0.00 H new ATOM 0 HH2 TRP A 42 10.088 -2.465 3.293 1.00 0.00 H new ATOM 645 N TRP A 43 2.942 -5.902 2.835 1.00 0.00 N ATOM 646 CA TRP A 43 1.634 -5.864 2.190 1.00 0.00 C ATOM 647 C TRP A 43 1.748 -5.353 0.758 1.00 0.00 C ATOM 648 O TRP A 43 2.649 -4.580 0.433 1.00 0.00 O ATOM 649 CB TRP A 43 0.676 -4.977 2.987 1.00 0.00 C ATOM 650 CG TRP A 43 0.172 -5.624 4.241 1.00 0.00 C ATOM 651 CD1 TRP A 43 0.304 -6.936 4.597 1.00 0.00 C ATOM 652 CD2 TRP A 43 -0.546 -4.988 5.305 1.00 0.00 C ATOM 653 NE1 TRP A 43 -0.289 -7.154 5.817 1.00 0.00 N ATOM 654 CE2 TRP A 43 -0.817 -5.975 6.273 1.00 0.00 C ATOM 655 CE3 TRP A 43 -0.984 -3.682 5.534 1.00 0.00 C ATOM 656 CZ2 TRP A 43 -1.507 -5.694 7.449 1.00 0.00 C ATOM 657 CZ3 TRP A 43 -1.669 -3.404 6.702 1.00 0.00 C ATOM 658 CH2 TRP A 43 -1.925 -4.406 7.648 1.00 0.00 C ATOM 0 H TRP A 43 3.225 -5.022 3.267 1.00 0.00 H new ATOM 0 HA TRP A 43 1.240 -6.880 2.163 1.00 0.00 H new ATOM 0 HB2 TRP A 43 1.183 -4.047 3.245 1.00 0.00 H new ATOM 0 HB3 TRP A 43 -0.173 -4.713 2.356 1.00 0.00 H new ATOM 0 HD1 TRP A 43 0.801 -7.691 4.006 1.00 0.00 H new ATOM 0 HE1 TRP A 43 -0.330 -8.049 6.304 1.00 0.00 H new ATOM 0 HE3 TRP A 43 -0.791 -2.903 4.811 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 -1.705 -6.465 8.179 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 -2.013 -2.397 6.889 1.00 0.00 H new ATOM 0 HH2 TRP A 43 -2.462 -4.157 8.551 1.00 0.00 H new ATOM 669 N LYS A 44 0.828 -5.789 -0.095 1.00 0.00 N ATOM 670 CA LYS A 44 0.823 -5.375 -1.494 1.00 0.00 C ATOM 671 C LYS A 44 -0.351 -4.445 -1.781 1.00 0.00 C ATOM 672 O LYS A 44 -1.505 -4.871 -1.792 1.00 0.00 O ATOM 673 CB LYS A 44 0.753 -6.599 -2.409 1.00 0.00 C ATOM 674 CG LYS A 44 1.441 -6.397 -3.748 1.00 0.00 C ATOM 675 CD LYS A 44 1.179 -7.560 -4.691 1.00 0.00 C ATOM 676 CE LYS A 44 2.120 -7.531 -5.886 1.00 0.00 C ATOM 677 NZ LYS A 44 1.565 -8.282 -7.046 1.00 0.00 N ATOM 0 H LYS A 44 0.075 -6.429 0.158 1.00 0.00 H new ATOM 0 HA LYS A 44 1.749 -4.835 -1.691 1.00 0.00 H new ATOM 0 HB2 LYS A 44 1.208 -7.449 -1.901 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -0.293 -6.854 -2.582 1.00 0.00 H new ATOM 0 HG2 LYS A 44 1.088 -5.472 -4.203 1.00 0.00 H new ATOM 0 HG3 LYS A 44 2.514 -6.287 -3.594 1.00 0.00 H new ATOM 0 HD2 LYS A 44 1.301 -8.500 -4.153 1.00 0.00 H new ATOM 0 HD3 LYS A 44 0.147 -7.523 -5.038 1.00 0.00 H new ATOM 0 HE2 LYS A 44 2.305 -6.497 -6.178 1.00 0.00 H new ATOM 0 HE3 LYS A 44 3.081 -7.959 -5.602 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 2.235 -8.239 -7.840 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 1.412 -9.274 -6.776 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 0.660 -7.858 -7.333 1.00 0.00 H new ATOM 691 N GLY A 45 -0.048 -3.172 -2.016 1.00 0.00 N ATOM 692 CA GLY A 45 -1.088 -2.202 -2.302 1.00 0.00 C ATOM 693 C GLY A 45 -0.631 -1.130 -3.272 1.00 0.00 C ATOM 694 O GLY A 45 0.526 -1.115 -3.693 1.00 0.00 O ATOM 0 H GLY A 45 0.900 -2.795 -2.013 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -1.956 -2.716 -2.716 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -1.409 -1.733 -1.372 1.00 0.00 H new ATOM 698 N THR A 46 -1.543 -0.230 -3.630 1.00 0.00 N ATOM 699 CA THR A 46 -1.228 0.848 -4.558 1.00 0.00 C ATOM 700 C THR A 46 -1.652 2.200 -3.995 1.00 0.00 C ATOM 701 O THR A 46 -2.749 2.342 -3.455 1.00 0.00 O ATOM 702 CB THR A 46 -1.914 0.635 -5.920 1.00 0.00 C ATOM 703 OG1 THR A 46 -1.154 -0.284 -6.713 1.00 0.00 O ATOM 704 CG2 THR A 46 -2.061 1.953 -6.665 1.00 0.00 C ATOM 0 H THR A 46 -2.505 -0.227 -3.291 1.00 0.00 H new ATOM 0 HA THR A 46 -0.147 0.838 -4.698 1.00 0.00 H new ATOM 0 HB THR A 46 -2.908 0.225 -5.740 1.00 0.00 H new ATOM 0 HG1 THR A 46 -0.504 0.211 -7.254 1.00 0.00 H new ATOM 0 HG21 THR A 46 -2.548 1.777 -7.624 1.00 0.00 H new ATOM 0 HG22 THR A 46 -2.665 2.641 -6.072 1.00 0.00 H new ATOM 0 HG23 THR A 46 -1.076 2.388 -6.833 1.00 0.00 H new ATOM 712 N SER A 47 -0.776 3.191 -4.124 1.00 0.00 N ATOM 713 CA SER A 47 -1.059 4.531 -3.625 1.00 0.00 C ATOM 714 C SER A 47 -0.998 5.556 -4.754 1.00 0.00 C ATOM 715 O SER A 47 -2.029 6.016 -5.246 1.00 0.00 O ATOM 716 CB SER A 47 -0.065 4.909 -2.525 1.00 0.00 C ATOM 717 OG SER A 47 -0.312 6.218 -2.042 1.00 0.00 O ATOM 0 H SER A 47 0.136 3.091 -4.570 1.00 0.00 H new ATOM 0 HA SER A 47 -2.067 4.532 -3.211 1.00 0.00 H new ATOM 0 HB2 SER A 47 -0.138 4.195 -1.704 1.00 0.00 H new ATOM 0 HB3 SER A 47 0.952 4.847 -2.912 1.00 0.00 H new ATOM 0 HG SER A 47 -1.185 6.244 -1.598 1.00 0.00 H new ATOM 723 N LYS A 48 0.217 5.909 -5.160 1.00 0.00 N ATOM 724 CA LYS A 48 0.414 6.878 -6.231 1.00 0.00 C ATOM 725 C LYS A 48 0.702 6.174 -7.554 1.00 0.00 C ATOM 726 O LYS A 48 1.832 5.766 -7.818 1.00 0.00 O ATOM 727 CB LYS A 48 1.565 7.825 -5.884 1.00 0.00 C ATOM 728 CG LYS A 48 1.727 8.971 -6.868 1.00 0.00 C ATOM 729 CD LYS A 48 3.153 9.494 -6.886 1.00 0.00 C ATOM 730 CE LYS A 48 3.371 10.556 -5.819 1.00 0.00 C ATOM 731 NZ LYS A 48 3.701 9.956 -4.497 1.00 0.00 N ATOM 0 H LYS A 48 1.080 5.538 -4.763 1.00 0.00 H new ATOM 0 HA LYS A 48 -0.504 7.456 -6.339 1.00 0.00 H new ATOM 0 HB2 LYS A 48 1.400 8.234 -4.887 1.00 0.00 H new ATOM 0 HB3 LYS A 48 2.494 7.256 -5.846 1.00 0.00 H new ATOM 0 HG2 LYS A 48 1.449 8.636 -7.867 1.00 0.00 H new ATOM 0 HG3 LYS A 48 1.046 9.779 -6.602 1.00 0.00 H new ATOM 0 HD2 LYS A 48 3.846 8.668 -6.726 1.00 0.00 H new ATOM 0 HD3 LYS A 48 3.376 9.912 -7.868 1.00 0.00 H new ATOM 0 HE2 LYS A 48 4.178 11.220 -6.128 1.00 0.00 H new ATOM 0 HE3 LYS A 48 2.473 11.167 -5.726 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 4.149 10.674 -3.892 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 2.829 9.616 -4.043 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 4.355 9.159 -4.631 1.00 0.00 H new ATOM 745 N GLY A 49 -0.328 6.038 -8.383 1.00 0.00 N ATOM 746 CA GLY A 49 -0.164 5.385 -9.669 1.00 0.00 C ATOM 747 C GLY A 49 0.944 4.352 -9.657 1.00 0.00 C ATOM 748 O GLY A 49 1.715 4.248 -10.612 1.00 0.00 O ATOM 0 H GLY A 49 -1.273 6.368 -8.187 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -1.101 4.905 -9.951 1.00 0.00 H new ATOM 0 HA3 GLY A 49 0.051 6.136 -10.429 1.00 0.00 H new ATOM 752 N ARG A 50 1.026 3.586 -8.574 1.00 0.00 N ATOM 753 CA ARG A 50 2.051 2.558 -8.441 1.00 0.00 C ATOM 754 C ARG A 50 1.542 1.388 -7.605 1.00 0.00 C ATOM 755 O ARG A 50 0.627 1.541 -6.794 1.00 0.00 O ATOM 756 CB ARG A 50 3.312 3.144 -7.803 1.00 0.00 C ATOM 757 CG ARG A 50 4.116 4.027 -8.743 1.00 0.00 C ATOM 758 CD ARG A 50 5.299 4.665 -8.032 1.00 0.00 C ATOM 759 NE ARG A 50 6.290 3.674 -7.621 1.00 0.00 N ATOM 760 CZ ARG A 50 7.341 3.957 -6.859 1.00 0.00 C ATOM 761 NH1 ARG A 50 7.536 5.196 -6.427 1.00 0.00 N ATOM 762 NH2 ARG A 50 8.199 3.001 -6.528 1.00 0.00 N ATOM 0 H ARG A 50 0.395 3.658 -7.776 1.00 0.00 H new ATOM 0 HA ARG A 50 2.294 2.191 -9.438 1.00 0.00 H new ATOM 0 HB2 ARG A 50 3.029 3.725 -6.926 1.00 0.00 H new ATOM 0 HB3 ARG A 50 3.945 2.328 -7.454 1.00 0.00 H new ATOM 0 HG2 ARG A 50 4.473 3.434 -9.585 1.00 0.00 H new ATOM 0 HG3 ARG A 50 3.472 4.806 -9.152 1.00 0.00 H new ATOM 0 HD2 ARG A 50 5.768 5.395 -8.692 1.00 0.00 H new ATOM 0 HD3 ARG A 50 4.945 5.209 -7.156 1.00 0.00 H new ATOM 0 HE ARG A 50 6.169 2.712 -7.936 1.00 0.00 H new ATOM 0 HH11 ARG A 50 6.878 5.934 -6.680 1.00 0.00 H new ATOM 0 HH12 ARG A 50 8.344 5.411 -5.842 1.00 0.00 H new ATOM 0 HH21 ARG A 50 8.052 2.047 -6.859 1.00 0.00 H new ATOM 0 HH22 ARG A 50 9.005 3.220 -5.943 1.00 0.00 H new ATOM 776 N THR A 51 2.139 0.217 -7.808 1.00 0.00 N ATOM 777 CA THR A 51 1.746 -0.979 -7.075 1.00 0.00 C ATOM 778 C THR A 51 2.966 -1.758 -6.597 1.00 0.00 C ATOM 779 O THR A 51 3.673 -2.373 -7.394 1.00 0.00 O ATOM 780 CB THR A 51 0.867 -1.904 -7.938 1.00 0.00 C ATOM 781 OG1 THR A 51 -0.004 -1.121 -8.763 1.00 0.00 O ATOM 782 CG2 THR A 51 0.043 -2.838 -7.065 1.00 0.00 C ATOM 0 H THR A 51 2.897 0.072 -8.475 1.00 0.00 H new ATOM 0 HA THR A 51 1.171 -0.645 -6.212 1.00 0.00 H new ATOM 0 HB THR A 51 1.521 -2.506 -8.569 1.00 0.00 H new ATOM 0 HG1 THR A 51 -0.851 -0.970 -8.293 1.00 0.00 H new ATOM 0 HG21 THR A 51 -0.569 -3.481 -7.697 1.00 0.00 H new ATOM 0 HG22 THR A 51 0.709 -3.452 -6.460 1.00 0.00 H new ATOM 0 HG23 THR A 51 -0.602 -2.251 -6.412 1.00 0.00 H new ATOM 790 N GLY A 52 3.208 -1.726 -5.290 1.00 0.00 N ATOM 791 CA GLY A 52 4.344 -2.434 -4.728 1.00 0.00 C ATOM 792 C GLY A 52 4.127 -2.821 -3.279 1.00 0.00 C ATOM 793 O GLY A 52 3.030 -2.659 -2.742 1.00 0.00 O ATOM 0 H GLY A 52 2.638 -1.223 -4.610 1.00 0.00 H new ATOM 0 HA2 GLY A 52 4.536 -3.332 -5.316 1.00 0.00 H new ATOM 0 HA3 GLY A 52 5.233 -1.807 -4.804 1.00 0.00 H new ATOM 797 N LEU A 53 5.173 -3.336 -2.643 1.00 0.00 N ATOM 798 CA LEU A 53 5.092 -3.750 -1.246 1.00 0.00 C ATOM 799 C LEU A 53 5.051 -2.538 -0.321 1.00 0.00 C ATOM 800 O LEU A 53 5.584 -1.477 -0.648 1.00 0.00 O ATOM 801 CB LEU A 53 6.284 -4.639 -0.888 1.00 0.00 C ATOM 802 CG LEU A 53 6.194 -6.097 -1.341 1.00 0.00 C ATOM 803 CD1 LEU A 53 7.335 -6.911 -0.751 1.00 0.00 C ATOM 804 CD2 LEU A 53 4.851 -6.696 -0.948 1.00 0.00 C ATOM 0 H LEU A 53 6.088 -3.477 -3.072 1.00 0.00 H new ATOM 0 HA LEU A 53 4.171 -4.317 -1.113 1.00 0.00 H new ATOM 0 HB2 LEU A 53 7.182 -4.200 -1.321 1.00 0.00 H new ATOM 0 HB3 LEU A 53 6.412 -4.623 0.194 1.00 0.00 H new ATOM 0 HG LEU A 53 6.278 -6.125 -2.427 1.00 0.00 H new ATOM 0 HD11 LEU A 53 7.254 -7.946 -1.084 1.00 0.00 H new ATOM 0 HD12 LEU A 53 8.287 -6.496 -1.082 1.00 0.00 H new ATOM 0 HD13 LEU A 53 7.283 -6.875 0.337 1.00 0.00 H new ATOM 0 HD21 LEU A 53 4.805 -7.734 -1.278 1.00 0.00 H new ATOM 0 HD22 LEU A 53 4.737 -6.655 0.135 1.00 0.00 H new ATOM 0 HD23 LEU A 53 4.048 -6.129 -1.419 1.00 0.00 H new ATOM 816 N ILE A 54 4.417 -2.704 0.835 1.00 0.00 N ATOM 817 CA ILE A 54 4.310 -1.625 1.809 1.00 0.00 C ATOM 818 C ILE A 54 4.424 -2.156 3.233 1.00 0.00 C ATOM 819 O ILE A 54 3.830 -3.173 3.592 1.00 0.00 O ATOM 820 CB ILE A 54 2.979 -0.864 1.661 1.00 0.00 C ATOM 821 CG1 ILE A 54 2.655 -0.640 0.183 1.00 0.00 C ATOM 822 CG2 ILE A 54 3.042 0.463 2.403 1.00 0.00 C ATOM 823 CD1 ILE A 54 1.231 -0.194 -0.063 1.00 0.00 C ATOM 0 H ILE A 54 3.970 -3.575 1.120 1.00 0.00 H new ATOM 0 HA ILE A 54 5.135 -0.940 1.613 1.00 0.00 H new ATOM 0 HB ILE A 54 2.183 -1.466 2.100 1.00 0.00 H new ATOM 0 HG12 ILE A 54 3.336 0.109 -0.220 1.00 0.00 H new ATOM 0 HG13 ILE A 54 2.837 -1.565 -0.365 1.00 0.00 H new ATOM 0 HG21 ILE A 54 2.094 0.989 2.289 1.00 0.00 H new ATOM 0 HG22 ILE A 54 3.230 0.280 3.461 1.00 0.00 H new ATOM 0 HG23 ILE A 54 3.847 1.072 1.991 1.00 0.00 H new ATOM 0 HD11 ILE A 54 1.073 -0.055 -1.132 1.00 0.00 H new ATOM 0 HD12 ILE A 54 0.543 -0.952 0.310 1.00 0.00 H new ATOM 0 HD13 ILE A 54 1.050 0.747 0.456 1.00 0.00 H new ATOM 835 N PRO A 55 5.204 -1.453 4.067 1.00 0.00 N ATOM 836 CA PRO A 55 5.413 -1.833 5.467 1.00 0.00 C ATOM 837 C PRO A 55 4.160 -1.635 6.314 1.00 0.00 C ATOM 838 O PRO A 55 3.576 -0.551 6.331 1.00 0.00 O ATOM 839 CB PRO A 55 6.526 -0.890 5.929 1.00 0.00 C ATOM 840 CG PRO A 55 6.413 0.296 5.034 1.00 0.00 C ATOM 841 CD PRO A 55 5.942 -0.230 3.707 1.00 0.00 C ATOM 0 HA PRO A 55 5.662 -2.889 5.570 1.00 0.00 H new ATOM 0 HB2 PRO A 55 6.399 -0.610 6.975 1.00 0.00 H new ATOM 0 HB3 PRO A 55 7.505 -1.360 5.841 1.00 0.00 H new ATOM 0 HG2 PRO A 55 5.709 1.024 5.437 1.00 0.00 H new ATOM 0 HG3 PRO A 55 7.373 0.803 4.934 1.00 0.00 H new ATOM 0 HD2 PRO A 55 5.303 0.489 3.194 1.00 0.00 H new ATOM 0 HD3 PRO A 55 6.777 -0.446 3.041 1.00 0.00 H new ATOM 849 N SER A 56 3.754 -2.687 7.017 1.00 0.00 N ATOM 850 CA SER A 56 2.568 -2.629 7.864 1.00 0.00 C ATOM 851 C SER A 56 2.877 -1.927 9.183 1.00 0.00 C ATOM 852 O SER A 56 1.984 -1.682 9.992 1.00 0.00 O ATOM 853 CB SER A 56 2.040 -4.039 8.135 1.00 0.00 C ATOM 854 OG SER A 56 2.994 -4.815 8.839 1.00 0.00 O ATOM 0 H SER A 56 4.229 -3.590 7.017 1.00 0.00 H new ATOM 0 HA SER A 56 1.803 -2.057 7.338 1.00 0.00 H new ATOM 0 HB2 SER A 56 1.117 -3.980 8.712 1.00 0.00 H new ATOM 0 HB3 SER A 56 1.795 -4.527 7.191 1.00 0.00 H new ATOM 0 HG SER A 56 2.800 -5.767 8.711 1.00 0.00 H new ATOM 860 N ASN A 57 4.150 -1.606 9.391 1.00 0.00 N ATOM 861 CA ASN A 57 4.579 -0.933 10.612 1.00 0.00 C ATOM 862 C ASN A 57 4.421 0.579 10.483 1.00 0.00 C ATOM 863 O ASN A 57 4.179 1.275 11.469 1.00 0.00 O ATOM 864 CB ASN A 57 6.035 -1.280 10.926 1.00 0.00 C ATOM 865 CG ASN A 57 6.216 -2.741 11.287 1.00 0.00 C ATOM 866 OD1 ASN A 57 6.918 -3.481 10.597 1.00 0.00 O ATOM 867 ND2 ASN A 57 5.582 -3.165 12.374 1.00 0.00 N ATOM 0 H ASN A 57 4.902 -1.801 8.730 1.00 0.00 H new ATOM 0 HA ASN A 57 3.946 -1.279 11.430 1.00 0.00 H new ATOM 0 HB2 ASN A 57 6.657 -1.042 10.063 1.00 0.00 H new ATOM 0 HB3 ASN A 57 6.384 -0.659 11.751 1.00 0.00 H new ATOM 0 HD21 ASN A 57 5.666 -4.138 12.667 1.00 0.00 H new ATOM 0 HD22 ASN A 57 5.011 -2.517 12.916 1.00 0.00 H new ATOM 874 N TYR A 58 4.559 1.081 9.260 1.00 0.00 N ATOM 875 CA TYR A 58 4.434 2.510 9.002 1.00 0.00 C ATOM 876 C TYR A 58 2.970 2.910 8.847 1.00 0.00 C ATOM 877 O TYR A 58 2.533 3.931 9.378 1.00 0.00 O ATOM 878 CB TYR A 58 5.215 2.893 7.743 1.00 0.00 C ATOM 879 CG TYR A 58 6.652 3.276 8.015 1.00 0.00 C ATOM 880 CD1 TYR A 58 7.636 2.305 8.155 1.00 0.00 C ATOM 881 CD2 TYR A 58 7.026 4.609 8.132 1.00 0.00 C ATOM 882 CE1 TYR A 58 8.950 2.650 8.404 1.00 0.00 C ATOM 883 CE2 TYR A 58 8.338 4.963 8.379 1.00 0.00 C ATOM 884 CZ TYR A 58 9.296 3.980 8.515 1.00 0.00 C ATOM 885 OH TYR A 58 10.605 4.329 8.762 1.00 0.00 O ATOM 0 H TYR A 58 4.757 0.519 8.432 1.00 0.00 H new ATOM 0 HA TYR A 58 4.849 3.045 9.856 1.00 0.00 H new ATOM 0 HB2 TYR A 58 5.197 2.056 7.046 1.00 0.00 H new ATOM 0 HB3 TYR A 58 4.712 3.727 7.253 1.00 0.00 H new ATOM 0 HD1 TYR A 58 7.369 1.262 8.068 1.00 0.00 H new ATOM 0 HD2 TYR A 58 6.278 5.381 8.028 1.00 0.00 H new ATOM 0 HE1 TYR A 58 9.702 1.882 8.511 1.00 0.00 H new ATOM 0 HE2 TYR A 58 8.612 6.004 8.465 1.00 0.00 H new ATOM 0 HH TYR A 58 10.680 5.305 8.810 1.00 0.00 H new ATOM 895 N VAL A 59 2.216 2.096 8.114 1.00 0.00 N ATOM 896 CA VAL A 59 0.800 2.362 7.889 1.00 0.00 C ATOM 897 C VAL A 59 -0.067 1.602 8.887 1.00 0.00 C ATOM 898 O VAL A 59 0.385 0.645 9.514 1.00 0.00 O ATOM 899 CB VAL A 59 0.377 1.977 6.459 1.00 0.00 C ATOM 900 CG1 VAL A 59 1.344 2.560 5.441 1.00 0.00 C ATOM 901 CG2 VAL A 59 0.290 0.464 6.319 1.00 0.00 C ATOM 0 H VAL A 59 2.562 1.247 7.666 1.00 0.00 H new ATOM 0 HA VAL A 59 0.653 3.433 8.027 1.00 0.00 H new ATOM 0 HB VAL A 59 -0.611 2.395 6.266 1.00 0.00 H new ATOM 0 HG11 VAL A 59 1.029 2.277 4.437 1.00 0.00 H new ATOM 0 HG12 VAL A 59 1.351 3.647 5.527 1.00 0.00 H new ATOM 0 HG13 VAL A 59 2.346 2.175 5.629 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -0.010 0.209 5.303 1.00 0.00 H new ATOM 0 HG22 VAL A 59 1.264 0.022 6.531 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -0.446 0.075 7.023 1.00 0.00 H new ATOM 911 N ALA A 60 -1.316 2.034 9.027 1.00 0.00 N ATOM 912 CA ALA A 60 -2.248 1.392 9.946 1.00 0.00 C ATOM 913 C ALA A 60 -3.690 1.589 9.491 1.00 0.00 C ATOM 914 O ALA A 60 -4.031 2.618 8.908 1.00 0.00 O ATOM 915 CB ALA A 60 -2.057 1.935 11.354 1.00 0.00 C ATOM 0 H ALA A 60 -1.706 2.826 8.516 1.00 0.00 H new ATOM 0 HA ALA A 60 -2.039 0.322 9.950 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -2.759 1.447 12.030 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -1.037 1.737 11.685 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -2.237 3.010 11.357 1.00 0.00 H new ATOM 921 N GLU A 61 -4.532 0.597 9.762 1.00 0.00 N ATOM 922 CA GLU A 61 -5.937 0.662 9.379 1.00 0.00 C ATOM 923 C GLU A 61 -6.557 1.990 9.807 1.00 0.00 C ATOM 924 O GLU A 61 -6.776 2.229 10.994 1.00 0.00 O ATOM 925 CB GLU A 61 -6.714 -0.500 10.003 1.00 0.00 C ATOM 926 CG GLU A 61 -8.202 -0.471 9.697 1.00 0.00 C ATOM 927 CD GLU A 61 -9.018 -1.263 10.700 1.00 0.00 C ATOM 928 OE1 GLU A 61 -8.458 -2.187 11.325 1.00 0.00 O ATOM 929 OE2 GLU A 61 -10.219 -0.958 10.858 1.00 0.00 O ATOM 0 H GLU A 61 -4.266 -0.261 10.245 1.00 0.00 H new ATOM 0 HA GLU A 61 -5.994 0.586 8.293 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -6.296 -1.440 9.643 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -6.573 -0.481 11.084 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -8.547 0.563 9.688 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -8.372 -0.872 8.698 1.00 0.00 H new