USER MOD reduce.3.24.130724 H: found=0, std=0, add=399, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 400 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 11 TYR OH : rot 180:sc= 0.999 USER MOD Set 1.2: A 38 LYS NZ :NH3+ 157:sc= 1.14 (180deg=0) USER MOD Single : A 9 THR OG1 : rot 26:sc= 0.00912 USER MOD Single : A 10 SER OG : rot 180:sc=-0.000704 USER MOD Single : A 12 MET CE :methyl -164:sc= -0.0647 (180deg=-0.476) USER MOD Single : A 13 THR OG1 : rot 152:sc= 0.99 USER MOD Single : A 14 CYS SG : rot -30:sc= 0.202 USER MOD Single : A 15 SER OG : rot 23:sc= 0.00187 USER MOD Single : A 17 TYR OH : rot 150:sc= -0.453 USER MOD Single : A 18 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 19 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0154) USER MOD Single : A 21 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 26 SER OG : rot 29:sc= 0.0672 USER MOD Single : A 34 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 39 GLN : amide:sc= 0.249 K(o=0.25,f=-0.46) USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 45 TYR OH : rot -46:sc= 0.264 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 58 HIS : no HD1:sc=-0.00105 X(o=-0.001,f=-0.26) USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 76 N THR A 9 4.153 -2.093 7.580 1.00 0.00 N ATOM 77 CA THR A 9 3.202 -3.022 6.982 1.00 0.00 C ATOM 78 C THR A 9 3.607 -3.381 5.557 1.00 0.00 C ATOM 79 O THR A 9 3.885 -2.504 4.740 1.00 0.00 O ATOM 80 CB THR A 9 1.778 -2.435 6.966 1.00 0.00 C ATOM 81 OG1 THR A 9 1.298 -2.277 8.305 1.00 0.00 O ATOM 82 CG2 THR A 9 0.831 -3.334 6.185 1.00 0.00 C ATOM 0 HA THR A 9 3.209 -3.922 7.597 1.00 0.00 H new ATOM 0 HB THR A 9 1.816 -1.462 6.477 1.00 0.00 H new ATOM 0 HG1 THR A 9 2.058 -2.171 8.915 1.00 0.00 H new ATOM 0 HG21 THR A 9 -0.168 -2.899 6.187 1.00 0.00 H new ATOM 0 HG22 THR A 9 1.183 -3.428 5.158 1.00 0.00 H new ATOM 0 HG23 THR A 9 0.799 -4.320 6.649 1.00 0.00 H new ATOM 90 N SER A 10 3.639 -4.678 5.265 1.00 0.00 N ATOM 91 CA SER A 10 4.013 -5.154 3.938 1.00 0.00 C ATOM 92 C SER A 10 2.793 -5.236 3.026 1.00 0.00 C ATOM 93 O SER A 10 1.752 -5.771 3.410 1.00 0.00 O ATOM 94 CB SER A 10 4.684 -6.525 4.036 1.00 0.00 C ATOM 95 OG SER A 10 3.727 -7.547 4.257 1.00 0.00 O ATOM 0 H SER A 10 3.411 -5.417 5.929 1.00 0.00 H new ATOM 0 HA SER A 10 4.718 -4.442 3.509 1.00 0.00 H new ATOM 0 HB2 SER A 10 5.234 -6.730 3.118 1.00 0.00 H new ATOM 0 HB3 SER A 10 5.410 -6.521 4.849 1.00 0.00 H new ATOM 0 HG SER A 10 4.181 -8.414 4.314 1.00 0.00 H new ATOM 101 N TYR A 11 2.929 -4.702 1.817 1.00 0.00 N ATOM 102 CA TYR A 11 1.838 -4.712 0.850 1.00 0.00 C ATOM 103 C TYR A 11 2.201 -5.550 -0.372 1.00 0.00 C ATOM 104 O TYR A 11 3.364 -5.895 -0.579 1.00 0.00 O ATOM 105 CB TYR A 11 1.496 -3.285 0.421 1.00 0.00 C ATOM 106 CG TYR A 11 1.028 -2.406 1.559 1.00 0.00 C ATOM 107 CD1 TYR A 11 1.915 -1.969 2.536 1.00 0.00 C ATOM 108 CD2 TYR A 11 -0.301 -2.011 1.657 1.00 0.00 C ATOM 109 CE1 TYR A 11 1.491 -1.167 3.577 1.00 0.00 C ATOM 110 CE2 TYR A 11 -0.733 -1.208 2.694 1.00 0.00 C ATOM 111 CZ TYR A 11 0.167 -0.789 3.652 1.00 0.00 C ATOM 112 OH TYR A 11 -0.258 0.012 4.688 1.00 0.00 O ATOM 0 H TYR A 11 3.784 -4.257 1.484 1.00 0.00 H new ATOM 0 HA TYR A 11 0.966 -5.159 1.328 1.00 0.00 H new ATOM 0 HB2 TYR A 11 2.375 -2.832 -0.039 1.00 0.00 H new ATOM 0 HB3 TYR A 11 0.719 -3.321 -0.343 1.00 0.00 H new ATOM 0 HD1 TYR A 11 2.953 -2.262 2.480 1.00 0.00 H new ATOM 0 HD2 TYR A 11 -1.008 -2.338 0.909 1.00 0.00 H new ATOM 0 HE1 TYR A 11 2.193 -0.837 4.329 1.00 0.00 H new ATOM 0 HE2 TYR A 11 -1.769 -0.910 2.755 1.00 0.00 H new ATOM 0 HH TYR A 11 -1.218 0.187 4.593 1.00 0.00 H new ATOM 122 N MET A 12 1.196 -5.873 -1.180 1.00 0.00 N ATOM 123 CA MET A 12 1.409 -6.668 -2.383 1.00 0.00 C ATOM 124 C MET A 12 1.159 -5.835 -3.637 1.00 0.00 C ATOM 125 O MET A 12 0.079 -5.270 -3.814 1.00 0.00 O ATOM 126 CB MET A 12 0.493 -7.893 -2.380 1.00 0.00 C ATOM 127 CG MET A 12 1.099 -9.103 -1.688 1.00 0.00 C ATOM 128 SD MET A 12 2.676 -9.598 -2.409 1.00 0.00 S ATOM 129 CE MET A 12 2.171 -10.006 -4.079 1.00 0.00 C ATOM 0 H MET A 12 0.227 -5.596 -1.023 1.00 0.00 H new ATOM 0 HA MET A 12 2.447 -7.000 -2.389 1.00 0.00 H new ATOM 0 HB2 MET A 12 -0.444 -7.634 -1.887 1.00 0.00 H new ATOM 0 HB3 MET A 12 0.250 -8.157 -3.409 1.00 0.00 H new ATOM 0 HG2 MET A 12 1.242 -8.879 -0.631 1.00 0.00 H new ATOM 0 HG3 MET A 12 0.400 -9.937 -1.745 1.00 0.00 H new ATOM 0 HE1 MET A 12 2.954 -10.589 -4.564 1.00 0.00 H new ATOM 0 HE2 MET A 12 1.250 -10.589 -4.049 1.00 0.00 H new ATOM 0 HE3 MET A 12 2.001 -9.088 -4.642 1.00 0.00 H new ATOM 139 N THR A 13 2.163 -5.763 -4.505 1.00 0.00 N ATOM 140 CA THR A 13 2.052 -4.999 -5.740 1.00 0.00 C ATOM 141 C THR A 13 1.187 -5.728 -6.762 1.00 0.00 C ATOM 142 O THR A 13 1.415 -6.901 -7.058 1.00 0.00 O ATOM 143 CB THR A 13 3.436 -4.725 -6.358 1.00 0.00 C ATOM 144 OG1 THR A 13 3.875 -5.867 -7.103 1.00 0.00 O ATOM 145 CG2 THR A 13 4.455 -4.396 -5.278 1.00 0.00 C ATOM 0 H THR A 13 3.063 -6.225 -4.375 1.00 0.00 H new ATOM 0 HA THR A 13 1.583 -4.049 -5.483 1.00 0.00 H new ATOM 0 HB THR A 13 3.348 -3.868 -7.026 1.00 0.00 H new ATOM 0 HG1 THR A 13 4.468 -5.577 -7.828 1.00 0.00 H new ATOM 0 HG21 THR A 13 5.425 -4.206 -5.738 1.00 0.00 H new ATOM 0 HG22 THR A 13 4.133 -3.509 -4.732 1.00 0.00 H new ATOM 0 HG23 THR A 13 4.539 -5.236 -4.589 1.00 0.00 H new ATOM 153 N CYS A 14 0.196 -5.026 -7.299 1.00 0.00 N ATOM 154 CA CYS A 14 -0.704 -5.607 -8.289 1.00 0.00 C ATOM 155 C CYS A 14 -0.532 -4.930 -9.645 1.00 0.00 C ATOM 156 O CYS A 14 -1.076 -5.384 -10.651 1.00 0.00 O ATOM 157 CB CYS A 14 -2.156 -5.484 -7.825 1.00 0.00 C ATOM 158 SG CYS A 14 -3.351 -6.294 -8.913 1.00 0.00 S ATOM 0 H CYS A 14 -0.005 -4.054 -7.066 1.00 0.00 H new ATOM 0 HA CYS A 14 -0.453 -6.662 -8.396 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -2.244 -5.910 -6.826 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -2.412 -4.428 -7.745 1.00 0.00 H new ATOM 0 HG CYS A 14 -2.904 -6.283 -10.134 1.00 0.00 H new ATOM 164 N SER A 15 0.228 -3.839 -9.663 1.00 0.00 N ATOM 165 CA SER A 15 0.468 -3.095 -10.894 1.00 0.00 C ATOM 166 C SER A 15 1.898 -2.565 -10.939 1.00 0.00 C ATOM 167 O SER A 15 2.376 -1.956 -9.982 1.00 0.00 O ATOM 168 CB SER A 15 -0.522 -1.935 -11.015 1.00 0.00 C ATOM 169 OG SER A 15 -1.715 -2.348 -11.658 1.00 0.00 O ATOM 0 H SER A 15 0.688 -3.451 -8.839 1.00 0.00 H new ATOM 0 HA SER A 15 0.325 -3.775 -11.734 1.00 0.00 H new ATOM 0 HB2 SER A 15 -0.755 -1.547 -10.024 1.00 0.00 H new ATOM 0 HB3 SER A 15 -0.065 -1.120 -11.577 1.00 0.00 H new ATOM 0 HG SER A 15 -1.818 -3.318 -11.564 1.00 0.00 H new ATOM 175 N ALA A 16 2.575 -2.802 -12.057 1.00 0.00 N ATOM 176 CA ALA A 16 3.949 -2.347 -12.229 1.00 0.00 C ATOM 177 C ALA A 16 4.036 -0.826 -12.166 1.00 0.00 C ATOM 178 O ALA A 16 3.506 -0.127 -13.030 1.00 0.00 O ATOM 179 CB ALA A 16 4.513 -2.855 -13.548 1.00 0.00 C ATOM 0 H ALA A 16 2.194 -3.307 -12.858 1.00 0.00 H new ATOM 0 HA ALA A 16 4.544 -2.753 -11.411 1.00 0.00 H new ATOM 0 HB1 ALA A 16 5.540 -2.507 -13.663 1.00 0.00 H new ATOM 0 HB2 ALA A 16 4.496 -3.945 -13.555 1.00 0.00 H new ATOM 0 HB3 ALA A 16 3.908 -2.477 -14.372 1.00 0.00 H new ATOM 185 N TYR A 17 4.708 -0.319 -11.138 1.00 0.00 N ATOM 186 CA TYR A 17 4.861 1.120 -10.960 1.00 0.00 C ATOM 187 C TYR A 17 6.174 1.607 -11.566 1.00 0.00 C ATOM 188 O TYR A 17 7.192 0.918 -11.502 1.00 0.00 O ATOM 189 CB TYR A 17 4.807 1.481 -9.475 1.00 0.00 C ATOM 190 CG TYR A 17 5.478 2.795 -9.145 1.00 0.00 C ATOM 191 CD1 TYR A 17 6.848 2.862 -8.923 1.00 0.00 C ATOM 192 CD2 TYR A 17 4.742 3.971 -9.058 1.00 0.00 C ATOM 193 CE1 TYR A 17 7.465 4.061 -8.622 1.00 0.00 C ATOM 194 CE2 TYR A 17 5.351 5.174 -8.758 1.00 0.00 C ATOM 195 CZ TYR A 17 6.712 5.214 -8.540 1.00 0.00 C ATOM 196 OH TYR A 17 7.323 6.410 -8.242 1.00 0.00 O ATOM 0 H TYR A 17 5.155 -0.883 -10.416 1.00 0.00 H new ATOM 0 HA TYR A 17 4.038 1.613 -11.477 1.00 0.00 H new ATOM 0 HB2 TYR A 17 3.765 1.526 -9.159 1.00 0.00 H new ATOM 0 HB3 TYR A 17 5.281 0.686 -8.899 1.00 0.00 H new ATOM 0 HD1 TYR A 17 7.441 1.961 -8.987 1.00 0.00 H new ATOM 0 HD2 TYR A 17 3.676 3.944 -9.228 1.00 0.00 H new ATOM 0 HE1 TYR A 17 8.531 4.095 -8.452 1.00 0.00 H new ATOM 0 HE2 TYR A 17 4.764 6.078 -8.695 1.00 0.00 H new ATOM 0 HH TYR A 17 6.831 7.143 -8.666 1.00 0.00 H new ATOM 206 N GLN A 18 6.142 2.800 -12.151 1.00 0.00 N ATOM 207 CA GLN A 18 7.329 3.380 -12.768 1.00 0.00 C ATOM 208 C GLN A 18 7.848 4.557 -11.950 1.00 0.00 C ATOM 209 O GLN A 18 7.127 5.526 -11.710 1.00 0.00 O ATOM 210 CB GLN A 18 7.017 3.833 -14.196 1.00 0.00 C ATOM 211 CG GLN A 18 8.256 4.169 -15.011 1.00 0.00 C ATOM 212 CD GLN A 18 7.936 4.982 -16.250 1.00 0.00 C ATOM 213 OE1 GLN A 18 7.064 4.616 -17.039 1.00 0.00 O ATOM 214 NE2 GLN A 18 8.642 6.093 -16.428 1.00 0.00 N ATOM 0 H GLN A 18 5.308 3.383 -12.211 1.00 0.00 H new ATOM 0 HA GLN A 18 8.104 2.614 -12.798 1.00 0.00 H new ATOM 0 HB2 GLN A 18 6.460 3.046 -14.705 1.00 0.00 H new ATOM 0 HB3 GLN A 18 6.369 4.709 -14.157 1.00 0.00 H new ATOM 0 HG2 GLN A 18 8.957 4.724 -14.388 1.00 0.00 H new ATOM 0 HG3 GLN A 18 8.754 3.245 -15.306 1.00 0.00 H new ATOM 0 HE21 GLN A 18 9.355 6.358 -15.749 1.00 0.00 H new ATOM 0 HE22 GLN A 18 8.471 6.681 -17.244 1.00 0.00 H new ATOM 223 N LYS A 19 9.103 4.468 -11.523 1.00 0.00 N ATOM 224 CA LYS A 19 9.720 5.526 -10.732 1.00 0.00 C ATOM 225 C LYS A 19 9.900 6.792 -11.563 1.00 0.00 C ATOM 226 O LYS A 19 10.331 6.734 -12.715 1.00 0.00 O ATOM 227 CB LYS A 19 11.074 5.061 -10.190 1.00 0.00 C ATOM 228 CG LYS A 19 11.981 4.462 -11.251 1.00 0.00 C ATOM 229 CD LYS A 19 13.437 4.487 -10.818 1.00 0.00 C ATOM 230 CE LYS A 19 14.049 5.868 -10.998 1.00 0.00 C ATOM 231 NZ LYS A 19 14.376 6.148 -12.423 1.00 0.00 N ATOM 0 H LYS A 19 9.713 3.673 -11.712 1.00 0.00 H new ATOM 0 HA LYS A 19 9.059 5.753 -9.895 1.00 0.00 H new ATOM 0 HB2 LYS A 19 11.581 5.908 -9.727 1.00 0.00 H new ATOM 0 HB3 LYS A 19 10.908 4.322 -9.407 1.00 0.00 H new ATOM 0 HG2 LYS A 19 11.678 3.435 -11.452 1.00 0.00 H new ATOM 0 HG3 LYS A 19 11.868 5.016 -12.183 1.00 0.00 H new ATOM 0 HD2 LYS A 19 13.512 4.188 -9.772 1.00 0.00 H new ATOM 0 HD3 LYS A 19 14.003 3.759 -11.399 1.00 0.00 H new ATOM 0 HE2 LYS A 19 13.355 6.624 -10.629 1.00 0.00 H new ATOM 0 HE3 LYS A 19 14.954 5.945 -10.396 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 14.852 7.070 -12.495 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 15.004 5.404 -12.788 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 13.500 6.166 -12.983 1.00 0.00 H new ATOM 245 N VAL A 20 9.568 7.935 -10.971 1.00 0.00 N ATOM 246 CA VAL A 20 9.696 9.216 -11.656 1.00 0.00 C ATOM 247 C VAL A 20 10.972 9.938 -11.238 1.00 0.00 C ATOM 248 O VAL A 20 11.504 10.759 -11.984 1.00 0.00 O ATOM 249 CB VAL A 20 8.487 10.127 -11.372 1.00 0.00 C ATOM 250 CG1 VAL A 20 8.610 11.433 -12.142 1.00 0.00 C ATOM 251 CG2 VAL A 20 7.189 9.414 -11.721 1.00 0.00 C ATOM 0 H VAL A 20 9.208 8.000 -10.019 1.00 0.00 H new ATOM 0 HA VAL A 20 9.737 9.001 -12.724 1.00 0.00 H new ATOM 0 HB VAL A 20 8.472 10.360 -10.307 1.00 0.00 H new ATOM 0 HG11 VAL A 20 7.747 12.064 -11.929 1.00 0.00 H new ATOM 0 HG12 VAL A 20 9.521 11.950 -11.839 1.00 0.00 H new ATOM 0 HG13 VAL A 20 8.651 11.223 -13.211 1.00 0.00 H new ATOM 0 HG21 VAL A 20 6.345 10.072 -11.514 1.00 0.00 H new ATOM 0 HG22 VAL A 20 7.192 9.150 -12.778 1.00 0.00 H new ATOM 0 HG23 VAL A 20 7.098 8.509 -11.121 1.00 0.00 H new ATOM 261 N GLN A 21 11.457 9.624 -10.041 1.00 0.00 N ATOM 262 CA GLN A 21 12.672 10.244 -9.524 1.00 0.00 C ATOM 263 C GLN A 21 13.721 9.189 -9.188 1.00 0.00 C ATOM 264 O GLN A 21 13.387 8.059 -8.831 1.00 0.00 O ATOM 265 CB GLN A 21 12.354 11.078 -8.281 1.00 0.00 C ATOM 266 CG GLN A 21 11.233 12.083 -8.493 1.00 0.00 C ATOM 267 CD GLN A 21 11.382 13.315 -7.623 1.00 0.00 C ATOM 268 OE1 GLN A 21 11.066 13.291 -6.434 1.00 0.00 O ATOM 269 NE2 GLN A 21 11.865 14.402 -8.214 1.00 0.00 N ATOM 0 H GLN A 21 11.028 8.945 -9.412 1.00 0.00 H new ATOM 0 HA GLN A 21 13.075 10.897 -10.298 1.00 0.00 H new ATOM 0 HB2 GLN A 21 12.081 10.409 -7.465 1.00 0.00 H new ATOM 0 HB3 GLN A 21 13.253 11.610 -7.970 1.00 0.00 H new ATOM 0 HG2 GLN A 21 11.212 12.383 -9.541 1.00 0.00 H new ATOM 0 HG3 GLN A 21 10.277 11.605 -8.279 1.00 0.00 H new ATOM 0 HE21 GLN A 21 12.114 14.377 -9.203 1.00 0.00 H new ATOM 0 HE22 GLN A 21 11.987 15.262 -7.679 1.00 0.00 H new ATOM 278 N ASP A 22 14.989 9.565 -9.304 1.00 0.00 N ATOM 279 CA ASP A 22 16.088 8.652 -9.012 1.00 0.00 C ATOM 280 C ASP A 22 15.886 7.973 -7.660 1.00 0.00 C ATOM 281 O ASP A 22 16.376 6.868 -7.430 1.00 0.00 O ATOM 282 CB ASP A 22 17.421 9.402 -9.026 1.00 0.00 C ATOM 283 CG ASP A 22 17.700 10.062 -10.361 1.00 0.00 C ATOM 284 OD1 ASP A 22 17.491 9.405 -11.403 1.00 0.00 O ATOM 285 OD2 ASP A 22 18.127 11.235 -10.366 1.00 0.00 O ATOM 0 H ASP A 22 15.282 10.497 -9.598 1.00 0.00 H new ATOM 0 HA ASP A 22 16.105 7.884 -9.785 1.00 0.00 H new ATOM 0 HB2 ASP A 22 17.416 10.160 -8.243 1.00 0.00 H new ATOM 0 HB3 ASP A 22 18.228 8.707 -8.792 1.00 0.00 H new ATOM 290 N SER A 23 15.161 8.643 -6.770 1.00 0.00 N ATOM 291 CA SER A 23 14.898 8.108 -5.440 1.00 0.00 C ATOM 292 C SER A 23 13.895 6.960 -5.505 1.00 0.00 C ATOM 293 O SER A 23 14.105 5.904 -4.910 1.00 0.00 O ATOM 294 CB SER A 23 14.371 9.209 -4.518 1.00 0.00 C ATOM 295 OG SER A 23 15.417 10.071 -4.104 1.00 0.00 O ATOM 0 H SER A 23 14.745 9.558 -6.946 1.00 0.00 H new ATOM 0 HA SER A 23 15.836 7.726 -5.038 1.00 0.00 H new ATOM 0 HB2 SER A 23 13.604 9.785 -5.036 1.00 0.00 H new ATOM 0 HB3 SER A 23 13.898 8.761 -3.644 1.00 0.00 H new ATOM 0 HG SER A 23 15.054 10.767 -3.517 1.00 0.00 H new ATOM 301 N GLU A 24 12.803 7.177 -6.232 1.00 0.00 N ATOM 302 CA GLU A 24 11.766 6.162 -6.374 1.00 0.00 C ATOM 303 C GLU A 24 12.313 4.921 -7.074 1.00 0.00 C ATOM 304 O GLU A 24 13.366 4.967 -7.710 1.00 0.00 O ATOM 305 CB GLU A 24 10.577 6.721 -7.158 1.00 0.00 C ATOM 306 CG GLU A 24 9.798 7.786 -6.404 1.00 0.00 C ATOM 307 CD GLU A 24 8.991 8.680 -7.325 1.00 0.00 C ATOM 308 OE1 GLU A 24 9.527 9.082 -8.380 1.00 0.00 O ATOM 309 OE2 GLU A 24 7.826 8.979 -6.992 1.00 0.00 O ATOM 0 H GLU A 24 12.614 8.046 -6.731 1.00 0.00 H new ATOM 0 HA GLU A 24 11.432 5.878 -5.376 1.00 0.00 H new ATOM 0 HB2 GLU A 24 10.937 7.142 -8.097 1.00 0.00 H new ATOM 0 HB3 GLU A 24 9.904 5.903 -7.413 1.00 0.00 H new ATOM 0 HG2 GLU A 24 9.128 7.305 -5.692 1.00 0.00 H new ATOM 0 HG3 GLU A 24 10.491 8.397 -5.826 1.00 0.00 H new ATOM 316 N ILE A 25 11.589 3.813 -6.953 1.00 0.00 N ATOM 317 CA ILE A 25 12.000 2.561 -7.574 1.00 0.00 C ATOM 318 C ILE A 25 10.816 1.858 -8.230 1.00 0.00 C ATOM 319 O ILE A 25 9.701 1.879 -7.708 1.00 0.00 O ATOM 320 CB ILE A 25 12.644 1.609 -6.549 1.00 0.00 C ATOM 321 CG1 ILE A 25 12.584 0.165 -7.053 1.00 0.00 C ATOM 322 CG2 ILE A 25 11.950 1.734 -5.201 1.00 0.00 C ATOM 323 CD1 ILE A 25 11.267 -0.521 -6.766 1.00 0.00 C ATOM 0 H ILE A 25 10.715 3.758 -6.430 1.00 0.00 H new ATOM 0 HA ILE A 25 12.737 2.814 -8.336 1.00 0.00 H new ATOM 0 HB ILE A 25 13.690 1.887 -6.424 1.00 0.00 H new ATOM 0 HG12 ILE A 25 12.762 0.156 -8.128 1.00 0.00 H new ATOM 0 HG13 ILE A 25 13.390 -0.406 -6.592 1.00 0.00 H new ATOM 0 HG21 ILE A 25 12.416 1.055 -4.487 1.00 0.00 H new ATOM 0 HG22 ILE A 25 12.040 2.758 -4.839 1.00 0.00 H new ATOM 0 HG23 ILE A 25 10.896 1.478 -5.309 1.00 0.00 H new ATOM 0 HD11 ILE A 25 11.296 -1.540 -7.151 1.00 0.00 H new ATOM 0 HD12 ILE A 25 11.096 -0.544 -5.690 1.00 0.00 H new ATOM 0 HD13 ILE A 25 10.458 0.027 -7.250 1.00 0.00 H new ATOM 335 N SER A 26 11.066 1.234 -9.377 1.00 0.00 N ATOM 336 CA SER A 26 10.021 0.525 -10.106 1.00 0.00 C ATOM 337 C SER A 26 10.077 -0.972 -9.817 1.00 0.00 C ATOM 338 O SER A 26 11.144 -1.584 -9.855 1.00 0.00 O ATOM 339 CB SER A 26 10.161 0.772 -11.609 1.00 0.00 C ATOM 340 OG SER A 26 11.387 0.256 -12.098 1.00 0.00 O ATOM 0 H SER A 26 11.984 1.205 -9.821 1.00 0.00 H new ATOM 0 HA SER A 26 9.056 0.906 -9.771 1.00 0.00 H new ATOM 0 HB2 SER A 26 9.330 0.304 -12.137 1.00 0.00 H new ATOM 0 HB3 SER A 26 10.106 1.842 -11.812 1.00 0.00 H new ATOM 0 HG SER A 26 11.664 -0.506 -11.548 1.00 0.00 H new ATOM 346 N PHE A 27 8.918 -1.556 -9.528 1.00 0.00 N ATOM 347 CA PHE A 27 8.834 -2.981 -9.231 1.00 0.00 C ATOM 348 C PHE A 27 7.792 -3.660 -10.116 1.00 0.00 C ATOM 349 O PHE A 27 6.812 -3.050 -10.544 1.00 0.00 O ATOM 350 CB PHE A 27 8.486 -3.197 -7.757 1.00 0.00 C ATOM 351 CG PHE A 27 7.438 -2.251 -7.243 1.00 0.00 C ATOM 352 CD1 PHE A 27 6.105 -2.422 -7.582 1.00 0.00 C ATOM 353 CD2 PHE A 27 7.786 -1.191 -6.423 1.00 0.00 C ATOM 354 CE1 PHE A 27 5.139 -1.554 -7.111 1.00 0.00 C ATOM 355 CE2 PHE A 27 6.824 -0.319 -5.948 1.00 0.00 C ATOM 356 CZ PHE A 27 5.499 -0.501 -6.294 1.00 0.00 C ATOM 0 H PHE A 27 8.025 -1.064 -9.493 1.00 0.00 H new ATOM 0 HA PHE A 27 9.807 -3.428 -9.436 1.00 0.00 H new ATOM 0 HB2 PHE A 27 8.138 -4.221 -7.620 1.00 0.00 H new ATOM 0 HB3 PHE A 27 9.390 -3.085 -7.158 1.00 0.00 H new ATOM 0 HD1 PHE A 27 5.818 -3.243 -8.222 1.00 0.00 H new ATOM 0 HD2 PHE A 27 8.821 -1.044 -6.151 1.00 0.00 H new ATOM 0 HE1 PHE A 27 4.104 -1.699 -7.382 1.00 0.00 H new ATOM 0 HE2 PHE A 27 7.108 0.503 -5.308 1.00 0.00 H new ATOM 0 HZ PHE A 27 4.746 0.180 -5.926 1.00 0.00 H new ATOM 366 N PRO A 28 8.008 -4.953 -10.398 1.00 0.00 N ATOM 367 CA PRO A 28 7.100 -5.743 -11.234 1.00 0.00 C ATOM 368 C PRO A 28 5.767 -6.015 -10.546 1.00 0.00 C ATOM 369 O PRO A 28 5.618 -5.782 -9.347 1.00 0.00 O ATOM 370 CB PRO A 28 7.866 -7.051 -11.452 1.00 0.00 C ATOM 371 CG PRO A 28 8.779 -7.155 -10.280 1.00 0.00 C ATOM 372 CD PRO A 28 9.156 -5.743 -9.922 1.00 0.00 C ATOM 0 HA PRO A 28 6.842 -5.225 -12.158 1.00 0.00 H new ATOM 0 HB2 PRO A 28 7.188 -7.903 -11.503 1.00 0.00 H new ATOM 0 HB3 PRO A 28 8.424 -7.032 -12.388 1.00 0.00 H new ATOM 0 HG2 PRO A 28 8.286 -7.651 -9.444 1.00 0.00 H new ATOM 0 HG3 PRO A 28 9.662 -7.745 -10.525 1.00 0.00 H new ATOM 0 HD2 PRO A 28 9.306 -5.627 -8.849 1.00 0.00 H new ATOM 0 HD3 PRO A 28 10.083 -5.439 -10.408 1.00 0.00 H new ATOM 380 N ALA A 29 4.801 -6.510 -11.312 1.00 0.00 N ATOM 381 CA ALA A 29 3.481 -6.816 -10.775 1.00 0.00 C ATOM 382 C ALA A 29 3.412 -8.254 -10.272 1.00 0.00 C ATOM 383 O ALA A 29 3.226 -9.187 -11.053 1.00 0.00 O ATOM 384 CB ALA A 29 2.412 -6.572 -11.829 1.00 0.00 C ATOM 0 H ALA A 29 4.908 -6.708 -12.307 1.00 0.00 H new ATOM 0 HA ALA A 29 3.299 -6.154 -9.929 1.00 0.00 H new ATOM 0 HB1 ALA A 29 1.432 -6.805 -11.414 1.00 0.00 H new ATOM 0 HB2 ALA A 29 2.437 -5.527 -12.137 1.00 0.00 H new ATOM 0 HB3 ALA A 29 2.601 -7.209 -12.693 1.00 0.00 H new ATOM 390 N GLY A 30 3.565 -8.427 -8.962 1.00 0.00 N ATOM 391 CA GLY A 30 3.518 -9.754 -8.379 1.00 0.00 C ATOM 392 C GLY A 30 4.583 -9.960 -7.320 1.00 0.00 C ATOM 393 O GLY A 30 5.077 -11.073 -7.133 1.00 0.00 O ATOM 0 H GLY A 30 3.721 -7.671 -8.295 1.00 0.00 H new ATOM 0 HA2 GLY A 30 2.535 -9.919 -7.938 1.00 0.00 H new ATOM 0 HA3 GLY A 30 3.644 -10.498 -9.166 1.00 0.00 H new ATOM 397 N VAL A 31 4.941 -8.885 -6.626 1.00 0.00 N ATOM 398 CA VAL A 31 5.955 -8.952 -5.580 1.00 0.00 C ATOM 399 C VAL A 31 5.476 -8.268 -4.305 1.00 0.00 C ATOM 400 O VAL A 31 4.447 -7.593 -4.300 1.00 0.00 O ATOM 401 CB VAL A 31 7.274 -8.299 -6.035 1.00 0.00 C ATOM 402 CG1 VAL A 31 8.011 -9.206 -7.009 1.00 0.00 C ATOM 403 CG2 VAL A 31 7.006 -6.938 -6.659 1.00 0.00 C ATOM 0 H VAL A 31 4.544 -7.956 -6.769 1.00 0.00 H new ATOM 0 HA VAL A 31 6.131 -10.008 -5.378 1.00 0.00 H new ATOM 0 HB VAL A 31 7.908 -8.154 -5.161 1.00 0.00 H new ATOM 0 HG11 VAL A 31 8.940 -8.728 -7.319 1.00 0.00 H new ATOM 0 HG12 VAL A 31 8.236 -10.155 -6.523 1.00 0.00 H new ATOM 0 HG13 VAL A 31 7.386 -9.385 -7.884 1.00 0.00 H new ATOM 0 HG21 VAL A 31 7.948 -6.491 -6.975 1.00 0.00 H new ATOM 0 HG22 VAL A 31 6.353 -7.056 -7.523 1.00 0.00 H new ATOM 0 HG23 VAL A 31 6.524 -6.290 -5.926 1.00 0.00 H new ATOM 413 N GLU A 32 6.229 -8.449 -3.224 1.00 0.00 N ATOM 414 CA GLU A 32 5.880 -7.849 -1.942 1.00 0.00 C ATOM 415 C GLU A 32 6.840 -6.715 -1.592 1.00 0.00 C ATOM 416 O GLU A 32 8.017 -6.751 -1.950 1.00 0.00 O ATOM 417 CB GLU A 32 5.899 -8.907 -0.837 1.00 0.00 C ATOM 418 CG GLU A 32 5.981 -8.323 0.564 1.00 0.00 C ATOM 419 CD GLU A 32 7.411 -8.137 1.034 1.00 0.00 C ATOM 420 OE1 GLU A 32 8.288 -7.883 0.183 1.00 0.00 O ATOM 421 OE2 GLU A 32 7.651 -8.244 2.255 1.00 0.00 O ATOM 0 H GLU A 32 7.084 -9.006 -3.211 1.00 0.00 H new ATOM 0 HA GLU A 32 4.874 -7.438 -2.024 1.00 0.00 H new ATOM 0 HB2 GLU A 32 4.999 -9.518 -0.915 1.00 0.00 H new ATOM 0 HB3 GLU A 32 6.749 -9.570 -0.995 1.00 0.00 H new ATOM 0 HG2 GLU A 32 5.468 -7.362 0.584 1.00 0.00 H new ATOM 0 HG3 GLU A 32 5.456 -8.979 1.259 1.00 0.00 H new ATOM 428 N VAL A 33 6.328 -5.710 -0.890 1.00 0.00 N ATOM 429 CA VAL A 33 7.138 -4.565 -0.490 1.00 0.00 C ATOM 430 C VAL A 33 6.798 -4.119 0.927 1.00 0.00 C ATOM 431 O VAL A 33 5.679 -4.319 1.399 1.00 0.00 O ATOM 432 CB VAL A 33 6.944 -3.377 -1.451 1.00 0.00 C ATOM 433 CG1 VAL A 33 7.557 -3.683 -2.809 1.00 0.00 C ATOM 434 CG2 VAL A 33 5.467 -3.039 -1.588 1.00 0.00 C ATOM 0 H VAL A 33 5.355 -5.665 -0.586 1.00 0.00 H new ATOM 0 HA VAL A 33 8.179 -4.886 -0.526 1.00 0.00 H new ATOM 0 HB VAL A 33 7.455 -2.509 -1.036 1.00 0.00 H new ATOM 0 HG11 VAL A 33 7.410 -2.832 -3.475 1.00 0.00 H new ATOM 0 HG12 VAL A 33 8.624 -3.872 -2.692 1.00 0.00 H new ATOM 0 HG13 VAL A 33 7.077 -4.564 -3.235 1.00 0.00 H new ATOM 0 HG21 VAL A 33 5.348 -2.197 -2.270 1.00 0.00 H new ATOM 0 HG22 VAL A 33 4.931 -3.903 -1.981 1.00 0.00 H new ATOM 0 HG23 VAL A 33 5.062 -2.774 -0.611 1.00 0.00 H new ATOM 444 N GLN A 34 7.771 -3.513 1.600 1.00 0.00 N ATOM 445 CA GLN A 34 7.574 -3.038 2.965 1.00 0.00 C ATOM 446 C GLN A 34 7.435 -1.520 2.998 1.00 0.00 C ATOM 447 O GLN A 34 8.320 -0.795 2.544 1.00 0.00 O ATOM 448 CB GLN A 34 8.741 -3.475 3.853 1.00 0.00 C ATOM 449 CG GLN A 34 8.401 -3.501 5.334 1.00 0.00 C ATOM 450 CD GLN A 34 9.528 -4.057 6.181 1.00 0.00 C ATOM 451 OE1 GLN A 34 10.118 -3.345 6.995 1.00 0.00 O ATOM 452 NE2 GLN A 34 9.834 -5.335 5.995 1.00 0.00 N ATOM 0 H GLN A 34 8.703 -3.339 1.223 1.00 0.00 H new ATOM 0 HA GLN A 34 6.652 -3.477 3.346 1.00 0.00 H new ATOM 0 HB2 GLN A 34 9.068 -4.468 3.546 1.00 0.00 H new ATOM 0 HB3 GLN A 34 9.581 -2.799 3.693 1.00 0.00 H new ATOM 0 HG2 GLN A 34 8.166 -2.490 5.667 1.00 0.00 H new ATOM 0 HG3 GLN A 34 7.505 -4.103 5.487 1.00 0.00 H new ATOM 0 HE21 GLN A 34 9.319 -5.888 5.310 1.00 0.00 H new ATOM 0 HE22 GLN A 34 10.584 -5.764 6.537 1.00 0.00 H new ATOM 461 N VAL A 35 6.317 -1.044 3.538 1.00 0.00 N ATOM 462 CA VAL A 35 6.062 0.388 3.631 1.00 0.00 C ATOM 463 C VAL A 35 6.742 0.989 4.857 1.00 0.00 C ATOM 464 O VAL A 35 6.256 0.850 5.980 1.00 0.00 O ATOM 465 CB VAL A 35 4.552 0.687 3.697 1.00 0.00 C ATOM 466 CG1 VAL A 35 4.310 2.122 4.137 1.00 0.00 C ATOM 467 CG2 VAL A 35 3.897 0.415 2.352 1.00 0.00 C ATOM 0 H VAL A 35 5.573 -1.630 3.918 1.00 0.00 H new ATOM 0 HA VAL A 35 6.475 0.842 2.730 1.00 0.00 H new ATOM 0 HB VAL A 35 4.100 0.026 4.436 1.00 0.00 H new ATOM 0 HG11 VAL A 35 3.238 2.314 4.178 1.00 0.00 H new ATOM 0 HG12 VAL A 35 4.744 2.278 5.125 1.00 0.00 H new ATOM 0 HG13 VAL A 35 4.774 2.804 3.425 1.00 0.00 H new ATOM 0 HG21 VAL A 35 2.831 0.631 2.416 1.00 0.00 H new ATOM 0 HG22 VAL A 35 4.351 1.050 1.591 1.00 0.00 H new ATOM 0 HG23 VAL A 35 4.039 -0.632 2.083 1.00 0.00 H new ATOM 477 N LEU A 36 7.868 1.657 4.634 1.00 0.00 N ATOM 478 CA LEU A 36 8.616 2.281 5.720 1.00 0.00 C ATOM 479 C LEU A 36 7.891 3.518 6.240 1.00 0.00 C ATOM 480 O LEU A 36 7.496 3.574 7.404 1.00 0.00 O ATOM 481 CB LEU A 36 10.020 2.659 5.247 1.00 0.00 C ATOM 482 CG LEU A 36 10.847 1.531 4.630 1.00 0.00 C ATOM 483 CD1 LEU A 36 12.081 2.090 3.939 1.00 0.00 C ATOM 484 CD2 LEU A 36 11.243 0.516 5.693 1.00 0.00 C ATOM 0 H LEU A 36 8.283 1.781 3.711 1.00 0.00 H new ATOM 0 HA LEU A 36 8.696 1.561 6.534 1.00 0.00 H new ATOM 0 HB2 LEU A 36 9.931 3.460 4.513 1.00 0.00 H new ATOM 0 HB3 LEU A 36 10.571 3.064 6.096 1.00 0.00 H new ATOM 0 HG LEU A 36 10.235 1.025 3.883 1.00 0.00 H new ATOM 0 HD11 LEU A 36 12.657 1.272 3.506 1.00 0.00 H new ATOM 0 HD12 LEU A 36 11.776 2.777 3.150 1.00 0.00 H new ATOM 0 HD13 LEU A 36 12.695 2.622 4.666 1.00 0.00 H new ATOM 0 HD21 LEU A 36 11.831 -0.280 5.235 1.00 0.00 H new ATOM 0 HD22 LEU A 36 11.836 1.009 6.463 1.00 0.00 H new ATOM 0 HD23 LEU A 36 10.346 0.091 6.143 1.00 0.00 H new ATOM 496 N GLU A 37 7.718 4.507 5.368 1.00 0.00 N ATOM 497 CA GLU A 37 7.040 5.742 5.739 1.00 0.00 C ATOM 498 C GLU A 37 5.717 5.883 4.990 1.00 0.00 C ATOM 499 O GLU A 37 5.359 5.034 4.174 1.00 0.00 O ATOM 500 CB GLU A 37 7.934 6.949 5.448 1.00 0.00 C ATOM 501 CG GLU A 37 8.844 7.325 6.606 1.00 0.00 C ATOM 502 CD GLU A 37 10.114 6.498 6.642 1.00 0.00 C ATOM 503 OE1 GLU A 37 11.107 6.905 6.003 1.00 0.00 O ATOM 504 OE2 GLU A 37 10.115 5.443 7.310 1.00 0.00 O ATOM 0 H GLU A 37 8.038 4.476 4.400 1.00 0.00 H new ATOM 0 HA GLU A 37 6.831 5.704 6.808 1.00 0.00 H new ATOM 0 HB2 GLU A 37 8.545 6.735 4.571 1.00 0.00 H new ATOM 0 HB3 GLU A 37 7.306 7.804 5.198 1.00 0.00 H new ATOM 0 HG2 GLU A 37 9.104 8.381 6.531 1.00 0.00 H new ATOM 0 HG3 GLU A 37 8.304 7.196 7.544 1.00 0.00 H new ATOM 511 N LYS A 38 4.996 6.962 5.274 1.00 0.00 N ATOM 512 CA LYS A 38 3.713 7.217 4.629 1.00 0.00 C ATOM 513 C LYS A 38 3.429 8.714 4.555 1.00 0.00 C ATOM 514 O LYS A 38 3.419 9.403 5.575 1.00 0.00 O ATOM 515 CB LYS A 38 2.588 6.510 5.387 1.00 0.00 C ATOM 516 CG LYS A 38 2.641 4.996 5.281 1.00 0.00 C ATOM 517 CD LYS A 38 1.392 4.352 5.860 1.00 0.00 C ATOM 518 CE LYS A 38 1.283 2.889 5.462 1.00 0.00 C ATOM 519 NZ LYS A 38 -0.023 2.299 5.865 1.00 0.00 N ATOM 0 H LYS A 38 5.278 7.675 5.947 1.00 0.00 H new ATOM 0 HA LYS A 38 3.761 6.824 3.614 1.00 0.00 H new ATOM 0 HB2 LYS A 38 2.635 6.794 6.438 1.00 0.00 H new ATOM 0 HB3 LYS A 38 1.629 6.859 5.005 1.00 0.00 H new ATOM 0 HG2 LYS A 38 2.749 4.707 4.236 1.00 0.00 H new ATOM 0 HG3 LYS A 38 3.520 4.624 5.807 1.00 0.00 H new ATOM 0 HD2 LYS A 38 1.410 4.434 6.947 1.00 0.00 H new ATOM 0 HD3 LYS A 38 0.510 4.891 5.514 1.00 0.00 H new ATOM 0 HE2 LYS A 38 1.405 2.796 4.383 1.00 0.00 H new ATOM 0 HE3 LYS A 38 2.094 2.326 5.924 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -0.229 1.472 5.269 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 0.022 2.005 6.862 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -0.775 3.007 5.746 1.00 0.00 H new ATOM 533 N GLN A 39 3.198 9.209 3.344 1.00 0.00 N ATOM 534 CA GLN A 39 2.913 10.624 3.139 1.00 0.00 C ATOM 535 C GLN A 39 1.411 10.888 3.176 1.00 0.00 C ATOM 536 O GLN A 39 0.608 9.991 2.923 1.00 0.00 O ATOM 537 CB GLN A 39 3.493 11.095 1.804 1.00 0.00 C ATOM 538 CG GLN A 39 5.012 11.089 1.764 1.00 0.00 C ATOM 539 CD GLN A 39 5.575 12.099 0.784 1.00 0.00 C ATOM 540 OE1 GLN A 39 5.158 13.258 0.762 1.00 0.00 O ATOM 541 NE2 GLN A 39 6.527 11.665 -0.033 1.00 0.00 N ATOM 0 H GLN A 39 3.203 8.651 2.490 1.00 0.00 H new ATOM 0 HA GLN A 39 3.382 11.184 3.948 1.00 0.00 H new ATOM 0 HB2 GLN A 39 3.114 10.455 1.007 1.00 0.00 H new ATOM 0 HB3 GLN A 39 3.137 12.104 1.599 1.00 0.00 H new ATOM 0 HG2 GLN A 39 5.399 11.302 2.761 1.00 0.00 H new ATOM 0 HG3 GLN A 39 5.360 10.092 1.493 1.00 0.00 H new ATOM 0 HE21 GLN A 39 6.842 10.696 0.020 1.00 0.00 H new ATOM 0 HE22 GLN A 39 6.943 12.300 -0.714 1.00 0.00 H new ATOM 550 N GLU A 40 1.040 12.125 3.493 1.00 0.00 N ATOM 551 CA GLU A 40 -0.366 12.505 3.565 1.00 0.00 C ATOM 552 C GLU A 40 -0.921 12.800 2.174 1.00 0.00 C ATOM 553 O GLU A 40 -2.061 13.241 2.030 1.00 0.00 O ATOM 554 CB GLU A 40 -0.541 13.729 4.466 1.00 0.00 C ATOM 555 CG GLU A 40 -0.544 13.397 5.949 1.00 0.00 C ATOM 556 CD GLU A 40 -1.493 12.266 6.292 1.00 0.00 C ATOM 557 OE1 GLU A 40 -2.697 12.387 5.984 1.00 0.00 O ATOM 558 OE2 GLU A 40 -1.032 11.259 6.869 1.00 0.00 O ATOM 0 H GLU A 40 1.693 12.880 3.704 1.00 0.00 H new ATOM 0 HA GLU A 40 -0.921 11.668 3.989 1.00 0.00 H new ATOM 0 HB2 GLU A 40 0.262 14.437 4.262 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -1.477 14.226 4.212 1.00 0.00 H new ATOM 0 HG2 GLU A 40 0.465 13.126 6.259 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -0.824 14.285 6.516 1.00 0.00 H new ATOM 565 N SER A 41 -0.105 12.554 1.154 1.00 0.00 N ATOM 566 CA SER A 41 -0.512 12.797 -0.225 1.00 0.00 C ATOM 567 C SER A 41 -0.924 11.496 -0.908 1.00 0.00 C ATOM 568 O SER A 41 -1.665 11.505 -1.890 1.00 0.00 O ATOM 569 CB SER A 41 0.626 13.457 -1.006 1.00 0.00 C ATOM 570 OG SER A 41 0.754 14.826 -0.662 1.00 0.00 O ATOM 0 H SER A 41 0.841 12.187 1.256 1.00 0.00 H new ATOM 0 HA SER A 41 -1.371 13.468 -0.211 1.00 0.00 H new ATOM 0 HB2 SER A 41 1.562 12.938 -0.799 1.00 0.00 H new ATOM 0 HB3 SER A 41 0.439 13.364 -2.076 1.00 0.00 H new ATOM 0 HG SER A 41 1.489 15.224 -1.173 1.00 0.00 H new ATOM 576 N GLY A 42 -0.438 10.377 -0.378 1.00 0.00 N ATOM 577 CA GLY A 42 -0.766 9.084 -0.948 1.00 0.00 C ATOM 578 C GLY A 42 0.466 8.300 -1.354 1.00 0.00 C ATOM 579 O GLY A 42 0.378 7.114 -1.673 1.00 0.00 O ATOM 0 H GLY A 42 0.177 10.344 0.435 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -1.338 8.505 -0.223 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -1.406 9.226 -1.819 1.00 0.00 H new ATOM 583 N TRP A 43 1.616 8.963 -1.345 1.00 0.00 N ATOM 584 CA TRP A 43 2.872 8.321 -1.717 1.00 0.00 C ATOM 585 C TRP A 43 3.585 7.767 -0.489 1.00 0.00 C ATOM 586 O TRP A 43 3.997 8.520 0.393 1.00 0.00 O ATOM 587 CB TRP A 43 3.780 9.313 -2.445 1.00 0.00 C ATOM 588 CG TRP A 43 3.274 9.696 -3.802 1.00 0.00 C ATOM 589 CD1 TRP A 43 2.306 10.616 -4.087 1.00 0.00 C ATOM 590 CD2 TRP A 43 3.710 9.168 -5.060 1.00 0.00 C ATOM 591 NE1 TRP A 43 2.113 10.692 -5.445 1.00 0.00 N ATOM 592 CE2 TRP A 43 2.963 9.814 -6.064 1.00 0.00 C ATOM 593 CE3 TRP A 43 4.659 8.214 -5.435 1.00 0.00 C ATOM 594 CZ2 TRP A 43 3.137 9.534 -7.417 1.00 0.00 C ATOM 595 CZ3 TRP A 43 4.831 7.937 -6.778 1.00 0.00 C ATOM 596 CH2 TRP A 43 4.073 8.595 -7.756 1.00 0.00 C ATOM 0 H TRP A 43 1.705 9.945 -1.084 1.00 0.00 H new ATOM 0 HA TRP A 43 2.643 7.491 -2.386 1.00 0.00 H new ATOM 0 HB2 TRP A 43 3.885 10.212 -1.837 1.00 0.00 H new ATOM 0 HB3 TRP A 43 4.774 8.878 -2.545 1.00 0.00 H new ATOM 0 HD1 TRP A 43 1.770 11.199 -3.352 1.00 0.00 H new ATOM 0 HE1 TRP A 43 1.445 11.303 -5.916 1.00 0.00 H new ATOM 0 HE3 TRP A 43 5.248 7.702 -4.689 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 2.554 10.040 -8.172 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 5.562 7.201 -7.079 1.00 0.00 H new ATOM 0 HH2 TRP A 43 4.231 8.356 -8.797 1.00 0.00 H new ATOM 607 N TRP A 44 3.727 6.447 -0.438 1.00 0.00 N ATOM 608 CA TRP A 44 4.391 5.793 0.684 1.00 0.00 C ATOM 609 C TRP A 44 5.769 5.282 0.278 1.00 0.00 C ATOM 610 O TRP A 44 5.983 4.892 -0.871 1.00 0.00 O ATOM 611 CB TRP A 44 3.537 4.635 1.204 1.00 0.00 C ATOM 612 CG TRP A 44 2.135 5.039 1.548 1.00 0.00 C ATOM 613 CD1 TRP A 44 1.673 6.309 1.746 1.00 0.00 C ATOM 614 CD2 TRP A 44 1.014 4.168 1.735 1.00 0.00 C ATOM 615 NE1 TRP A 44 0.333 6.280 2.046 1.00 0.00 N ATOM 616 CE2 TRP A 44 -0.096 4.979 2.045 1.00 0.00 C ATOM 617 CE3 TRP A 44 0.839 2.783 1.671 1.00 0.00 C ATOM 618 CZ2 TRP A 44 -1.359 4.448 2.289 1.00 0.00 C ATOM 619 CZ3 TRP A 44 -0.415 2.258 1.913 1.00 0.00 C ATOM 620 CH2 TRP A 44 -1.502 3.089 2.219 1.00 0.00 C ATOM 0 H TRP A 44 3.392 5.809 -1.160 1.00 0.00 H new ATOM 0 HA TRP A 44 4.516 6.528 1.479 1.00 0.00 H new ATOM 0 HB2 TRP A 44 3.506 3.848 0.450 1.00 0.00 H new ATOM 0 HB3 TRP A 44 4.013 4.211 2.088 1.00 0.00 H new ATOM 0 HD1 TRP A 44 2.273 7.204 1.677 1.00 0.00 H new ATOM 0 HE1 TRP A 44 -0.249 7.095 2.238 1.00 0.00 H new ATOM 0 HE3 TRP A 44 1.670 2.135 1.436 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 -2.197 5.087 2.525 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 -0.561 1.189 1.866 1.00 0.00 H new ATOM 0 HH2 TRP A 44 -2.471 2.648 2.403 1.00 0.00 H new ATOM 631 N TYR A 45 6.699 5.286 1.225 1.00 0.00 N ATOM 632 CA TYR A 45 8.058 4.824 0.965 1.00 0.00 C ATOM 633 C TYR A 45 8.165 3.313 1.149 1.00 0.00 C ATOM 634 O TYR A 45 8.155 2.811 2.273 1.00 0.00 O ATOM 635 CB TYR A 45 9.046 5.533 1.892 1.00 0.00 C ATOM 636 CG TYR A 45 10.473 5.503 1.392 1.00 0.00 C ATOM 637 CD1 TYR A 45 10.780 5.860 0.085 1.00 0.00 C ATOM 638 CD2 TYR A 45 11.514 5.116 2.227 1.00 0.00 C ATOM 639 CE1 TYR A 45 12.082 5.834 -0.376 1.00 0.00 C ATOM 640 CE2 TYR A 45 12.819 5.088 1.775 1.00 0.00 C ATOM 641 CZ TYR A 45 13.098 5.447 0.473 1.00 0.00 C ATOM 642 OH TYR A 45 14.397 5.419 0.018 1.00 0.00 O ATOM 0 H TYR A 45 6.538 5.604 2.181 1.00 0.00 H new ATOM 0 HA TYR A 45 8.304 5.064 -0.069 1.00 0.00 H new ATOM 0 HB2 TYR A 45 8.735 6.570 2.016 1.00 0.00 H new ATOM 0 HB3 TYR A 45 9.005 5.068 2.877 1.00 0.00 H new ATOM 0 HD1 TYR A 45 9.987 6.163 -0.582 1.00 0.00 H new ATOM 0 HD2 TYR A 45 11.299 4.832 3.247 1.00 0.00 H new ATOM 0 HE1 TYR A 45 12.303 6.115 -1.395 1.00 0.00 H new ATOM 0 HE2 TYR A 45 13.617 4.787 2.438 1.00 0.00 H new ATOM 0 HH TYR A 45 14.427 4.981 -0.858 1.00 0.00 H new ATOM 652 N VAL A 46 8.268 2.594 0.036 1.00 0.00 N ATOM 653 CA VAL A 46 8.379 1.141 0.073 1.00 0.00 C ATOM 654 C VAL A 46 9.819 0.694 -0.148 1.00 0.00 C ATOM 655 O VAL A 46 10.651 1.462 -0.631 1.00 0.00 O ATOM 656 CB VAL A 46 7.480 0.482 -0.991 1.00 0.00 C ATOM 657 CG1 VAL A 46 6.060 0.327 -0.468 1.00 0.00 C ATOM 658 CG2 VAL A 46 7.497 1.292 -2.278 1.00 0.00 C ATOM 0 H VAL A 46 8.277 2.994 -0.902 1.00 0.00 H new ATOM 0 HA VAL A 46 8.051 0.824 1.063 1.00 0.00 H new ATOM 0 HB VAL A 46 7.872 -0.511 -1.209 1.00 0.00 H new ATOM 0 HG11 VAL A 46 5.440 -0.140 -1.233 1.00 0.00 H new ATOM 0 HG12 VAL A 46 6.067 -0.298 0.425 1.00 0.00 H new ATOM 0 HG13 VAL A 46 5.654 1.308 -0.221 1.00 0.00 H new ATOM 0 HG21 VAL A 46 6.857 0.812 -3.018 1.00 0.00 H new ATOM 0 HG22 VAL A 46 7.130 2.299 -2.079 1.00 0.00 H new ATOM 0 HG23 VAL A 46 8.516 1.346 -2.660 1.00 0.00 H new ATOM 668 N ARG A 47 10.107 -0.554 0.208 1.00 0.00 N ATOM 669 CA ARG A 47 11.448 -1.104 0.049 1.00 0.00 C ATOM 670 C ARG A 47 11.409 -2.417 -0.727 1.00 0.00 C ATOM 671 O ARG A 47 10.731 -3.365 -0.329 1.00 0.00 O ATOM 672 CB ARG A 47 12.096 -1.326 1.417 1.00 0.00 C ATOM 673 CG ARG A 47 13.447 -2.021 1.345 1.00 0.00 C ATOM 674 CD ARG A 47 14.125 -2.062 2.706 1.00 0.00 C ATOM 675 NE ARG A 47 15.533 -2.436 2.604 1.00 0.00 N ATOM 676 CZ ARG A 47 15.952 -3.689 2.469 1.00 0.00 C ATOM 677 NH1 ARG A 47 15.076 -4.683 2.419 1.00 0.00 N ATOM 678 NH2 ARG A 47 17.250 -3.950 2.383 1.00 0.00 N ATOM 0 H ARG A 47 9.430 -1.203 0.608 1.00 0.00 H new ATOM 0 HA ARG A 47 12.044 -0.387 -0.516 1.00 0.00 H new ATOM 0 HB2 ARG A 47 12.218 -0.363 1.912 1.00 0.00 H new ATOM 0 HB3 ARG A 47 11.424 -1.920 2.036 1.00 0.00 H new ATOM 0 HG2 ARG A 47 13.316 -3.037 0.972 1.00 0.00 H new ATOM 0 HG3 ARG A 47 14.088 -1.500 0.633 1.00 0.00 H new ATOM 0 HD2 ARG A 47 14.043 -1.085 3.182 1.00 0.00 H new ATOM 0 HD3 ARG A 47 13.606 -2.774 3.348 1.00 0.00 H new ATOM 0 HE ARG A 47 16.233 -1.695 2.638 1.00 0.00 H new ATOM 0 HH11 ARG A 47 14.077 -4.486 2.484 1.00 0.00 H new ATOM 0 HH12 ARG A 47 15.401 -5.644 2.315 1.00 0.00 H new ATOM 0 HH21 ARG A 47 17.927 -3.188 2.421 1.00 0.00 H new ATOM 0 HH22 ARG A 47 17.571 -4.913 2.279 1.00 0.00 H new ATOM 692 N PHE A 48 12.140 -2.465 -1.836 1.00 0.00 N ATOM 693 CA PHE A 48 12.187 -3.661 -2.668 1.00 0.00 C ATOM 694 C PHE A 48 13.596 -4.248 -2.698 1.00 0.00 C ATOM 695 O PHE A 48 14.426 -3.855 -3.516 1.00 0.00 O ATOM 696 CB PHE A 48 11.728 -3.337 -4.091 1.00 0.00 C ATOM 697 CG PHE A 48 11.576 -4.550 -4.964 1.00 0.00 C ATOM 698 CD1 PHE A 48 10.886 -5.663 -4.510 1.00 0.00 C ATOM 699 CD2 PHE A 48 12.121 -4.577 -6.237 1.00 0.00 C ATOM 700 CE1 PHE A 48 10.745 -6.781 -5.311 1.00 0.00 C ATOM 701 CE2 PHE A 48 11.983 -5.692 -7.042 1.00 0.00 C ATOM 702 CZ PHE A 48 11.293 -6.795 -6.578 1.00 0.00 C ATOM 0 H PHE A 48 12.707 -1.690 -2.179 1.00 0.00 H new ATOM 0 HA PHE A 48 11.513 -4.400 -2.235 1.00 0.00 H new ATOM 0 HB2 PHE A 48 10.775 -2.811 -4.045 1.00 0.00 H new ATOM 0 HB3 PHE A 48 12.446 -2.657 -4.550 1.00 0.00 H new ATOM 0 HD1 PHE A 48 10.454 -5.657 -3.520 1.00 0.00 H new ATOM 0 HD2 PHE A 48 12.660 -3.717 -6.605 1.00 0.00 H new ATOM 0 HE1 PHE A 48 10.206 -7.643 -4.946 1.00 0.00 H new ATOM 0 HE2 PHE A 48 12.414 -5.701 -8.032 1.00 0.00 H new ATOM 0 HZ PHE A 48 11.182 -7.667 -7.205 1.00 0.00 H new ATOM 712 N GLY A 49 13.857 -5.190 -1.797 1.00 0.00 N ATOM 713 CA GLY A 49 15.166 -5.815 -1.736 1.00 0.00 C ATOM 714 C GLY A 49 16.209 -4.915 -1.105 1.00 0.00 C ATOM 715 O GLY A 49 16.249 -4.761 0.116 1.00 0.00 O ATOM 0 H GLY A 49 13.186 -5.531 -1.109 1.00 0.00 H new ATOM 0 HA2 GLY A 49 15.097 -6.741 -1.166 1.00 0.00 H new ATOM 0 HA3 GLY A 49 15.484 -6.084 -2.743 1.00 0.00 H new ATOM 719 N GLU A 50 17.057 -4.320 -1.938 1.00 0.00 N ATOM 720 CA GLU A 50 18.108 -3.433 -1.453 1.00 0.00 C ATOM 721 C GLU A 50 17.878 -2.003 -1.934 1.00 0.00 C ATOM 722 O GLU A 50 18.819 -1.217 -2.052 1.00 0.00 O ATOM 723 CB GLU A 50 19.479 -3.926 -1.920 1.00 0.00 C ATOM 724 CG GLU A 50 20.641 -3.279 -1.186 1.00 0.00 C ATOM 725 CD GLU A 50 21.963 -3.970 -1.461 1.00 0.00 C ATOM 726 OE1 GLU A 50 22.078 -5.175 -1.155 1.00 0.00 O ATOM 727 OE2 GLU A 50 22.881 -3.304 -1.984 1.00 0.00 O ATOM 0 H GLU A 50 17.037 -4.436 -2.951 1.00 0.00 H new ATOM 0 HA GLU A 50 18.080 -3.440 -0.363 1.00 0.00 H new ATOM 0 HB2 GLU A 50 19.532 -5.006 -1.786 1.00 0.00 H new ATOM 0 HB3 GLU A 50 19.581 -3.732 -2.988 1.00 0.00 H new ATOM 0 HG2 GLU A 50 20.714 -2.232 -1.481 1.00 0.00 H new ATOM 0 HG3 GLU A 50 20.443 -3.295 -0.114 1.00 0.00 H new ATOM 734 N LEU A 51 16.621 -1.674 -2.212 1.00 0.00 N ATOM 735 CA LEU A 51 16.266 -0.340 -2.682 1.00 0.00 C ATOM 736 C LEU A 51 14.975 0.142 -2.029 1.00 0.00 C ATOM 737 O LEU A 51 14.126 -0.661 -1.645 1.00 0.00 O ATOM 738 CB LEU A 51 16.113 -0.337 -4.204 1.00 0.00 C ATOM 739 CG LEU A 51 17.320 -0.832 -5.001 1.00 0.00 C ATOM 740 CD1 LEU A 51 16.914 -1.178 -6.425 1.00 0.00 C ATOM 741 CD2 LEU A 51 18.425 0.214 -5.000 1.00 0.00 C ATOM 0 H LEU A 51 15.831 -2.313 -2.120 1.00 0.00 H new ATOM 0 HA LEU A 51 17.069 0.342 -2.403 1.00 0.00 H new ATOM 0 HB2 LEU A 51 15.253 -0.955 -4.464 1.00 0.00 H new ATOM 0 HB3 LEU A 51 15.884 0.679 -4.524 1.00 0.00 H new ATOM 0 HG LEU A 51 17.701 -1.735 -4.523 1.00 0.00 H new ATOM 0 HD11 LEU A 51 17.786 -1.528 -6.977 1.00 0.00 H new ATOM 0 HD12 LEU A 51 16.157 -1.962 -6.407 1.00 0.00 H new ATOM 0 HD13 LEU A 51 16.508 -0.292 -6.913 1.00 0.00 H new ATOM 0 HD21 LEU A 51 19.276 -0.155 -5.572 1.00 0.00 H new ATOM 0 HD22 LEU A 51 18.055 1.134 -5.453 1.00 0.00 H new ATOM 0 HD23 LEU A 51 18.736 0.414 -3.975 1.00 0.00 H new ATOM 753 N GLU A 52 14.834 1.459 -1.907 1.00 0.00 N ATOM 754 CA GLU A 52 13.645 2.046 -1.301 1.00 0.00 C ATOM 755 C GLU A 52 13.139 3.225 -2.129 1.00 0.00 C ATOM 756 O GLU A 52 13.872 4.180 -2.382 1.00 0.00 O ATOM 757 CB GLU A 52 13.947 2.504 0.127 1.00 0.00 C ATOM 758 CG GLU A 52 14.267 1.363 1.077 1.00 0.00 C ATOM 759 CD GLU A 52 15.746 1.030 1.113 1.00 0.00 C ATOM 760 OE1 GLU A 52 16.540 1.896 1.539 1.00 0.00 O ATOM 761 OE2 GLU A 52 16.110 -0.096 0.714 1.00 0.00 O ATOM 0 H GLU A 52 15.528 2.138 -2.220 1.00 0.00 H new ATOM 0 HA GLU A 52 12.867 1.283 -1.273 1.00 0.00 H new ATOM 0 HB2 GLU A 52 14.789 3.196 0.107 1.00 0.00 H new ATOM 0 HB3 GLU A 52 13.089 3.056 0.512 1.00 0.00 H new ATOM 0 HG2 GLU A 52 13.933 1.627 2.081 1.00 0.00 H new ATOM 0 HG3 GLU A 52 13.706 0.478 0.777 1.00 0.00 H new ATOM 768 N GLY A 53 11.879 3.149 -2.547 1.00 0.00 N ATOM 769 CA GLY A 53 11.296 4.214 -3.342 1.00 0.00 C ATOM 770 C GLY A 53 9.903 4.588 -2.876 1.00 0.00 C ATOM 771 O GLY A 53 9.249 3.819 -2.172 1.00 0.00 O ATOM 0 H GLY A 53 11.252 2.369 -2.349 1.00 0.00 H new ATOM 0 HA2 GLY A 53 11.940 5.092 -3.295 1.00 0.00 H new ATOM 0 HA3 GLY A 53 11.256 3.904 -4.386 1.00 0.00 H new ATOM 775 N TRP A 54 9.448 5.772 -3.269 1.00 0.00 N ATOM 776 CA TRP A 54 8.124 6.248 -2.885 1.00 0.00 C ATOM 777 C TRP A 54 7.077 5.831 -3.913 1.00 0.00 C ATOM 778 O TRP A 54 7.041 6.357 -5.024 1.00 0.00 O ATOM 779 CB TRP A 54 8.130 7.770 -2.734 1.00 0.00 C ATOM 780 CG TRP A 54 9.047 8.256 -1.653 1.00 0.00 C ATOM 781 CD1 TRP A 54 10.372 8.563 -1.779 1.00 0.00 C ATOM 782 CD2 TRP A 54 8.708 8.488 -0.281 1.00 0.00 C ATOM 783 NE1 TRP A 54 10.877 8.972 -0.568 1.00 0.00 N ATOM 784 CE2 TRP A 54 9.876 8.936 0.366 1.00 0.00 C ATOM 785 CE3 TRP A 54 7.532 8.363 0.462 1.00 0.00 C ATOM 786 CZ2 TRP A 54 9.899 9.257 1.721 1.00 0.00 C ATOM 787 CZ3 TRP A 54 7.556 8.681 1.807 1.00 0.00 C ATOM 788 CH2 TRP A 54 8.733 9.125 2.425 1.00 0.00 C ATOM 0 H TRP A 54 9.976 6.420 -3.853 1.00 0.00 H new ATOM 0 HA TRP A 54 7.866 5.796 -1.927 1.00 0.00 H new ATOM 0 HB2 TRP A 54 8.426 8.221 -3.681 1.00 0.00 H new ATOM 0 HB3 TRP A 54 7.117 8.111 -2.521 1.00 0.00 H new ATOM 0 HD1 TRP A 54 10.939 8.494 -2.695 1.00 0.00 H new ATOM 0 HE1 TRP A 54 11.841 9.256 -0.393 1.00 0.00 H new ATOM 0 HE3 TRP A 54 6.620 8.024 -0.006 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 10.805 9.598 2.199 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 6.653 8.586 2.391 1.00 0.00 H new ATOM 0 HH2 TRP A 54 8.719 9.368 3.477 1.00 0.00 H new ATOM 799 N ALA A 55 6.227 4.883 -3.533 1.00 0.00 N ATOM 800 CA ALA A 55 5.178 4.397 -4.422 1.00 0.00 C ATOM 801 C ALA A 55 3.797 4.785 -3.904 1.00 0.00 C ATOM 802 O ALA A 55 3.554 4.845 -2.699 1.00 0.00 O ATOM 803 CB ALA A 55 5.279 2.888 -4.582 1.00 0.00 C ATOM 0 H ALA A 55 6.244 4.436 -2.616 1.00 0.00 H new ATOM 0 HA ALA A 55 5.316 4.864 -5.397 1.00 0.00 H new ATOM 0 HB1 ALA A 55 4.490 2.539 -5.248 1.00 0.00 H new ATOM 0 HB2 ALA A 55 6.250 2.631 -5.004 1.00 0.00 H new ATOM 0 HB3 ALA A 55 5.169 2.411 -3.608 1.00 0.00 H new ATOM 809 N PRO A 56 2.870 5.056 -4.835 1.00 0.00 N ATOM 810 CA PRO A 56 1.497 5.443 -4.496 1.00 0.00 C ATOM 811 C PRO A 56 0.701 4.289 -3.897 1.00 0.00 C ATOM 812 O PRO A 56 0.782 3.155 -4.369 1.00 0.00 O ATOM 813 CB PRO A 56 0.903 5.860 -5.843 1.00 0.00 C ATOM 814 CG PRO A 56 1.701 5.115 -6.856 1.00 0.00 C ATOM 815 CD PRO A 56 3.090 5.004 -6.290 1.00 0.00 C ATOM 0 HA PRO A 56 1.470 6.229 -3.741 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -0.155 5.604 -5.906 1.00 0.00 H new ATOM 0 HB3 PRO A 56 0.979 6.937 -5.993 1.00 0.00 H new ATOM 0 HG2 PRO A 56 1.275 4.129 -7.040 1.00 0.00 H new ATOM 0 HG3 PRO A 56 1.709 5.642 -7.810 1.00 0.00 H new ATOM 0 HD2 PRO A 56 3.573 4.074 -6.590 1.00 0.00 H new ATOM 0 HD3 PRO A 56 3.729 5.819 -6.629 1.00 0.00 H new ATOM 823 N SER A 57 -0.069 4.585 -2.855 1.00 0.00 N ATOM 824 CA SER A 57 -0.879 3.571 -2.189 1.00 0.00 C ATOM 825 C SER A 57 -1.919 2.994 -3.144 1.00 0.00 C ATOM 826 O SER A 57 -2.595 2.015 -2.826 1.00 0.00 O ATOM 827 CB SER A 57 -1.571 4.166 -0.961 1.00 0.00 C ATOM 828 OG SER A 57 -2.625 5.034 -1.341 1.00 0.00 O ATOM 0 H SER A 57 -0.149 5.519 -2.453 1.00 0.00 H new ATOM 0 HA SER A 57 -0.218 2.765 -1.869 1.00 0.00 H new ATOM 0 HB2 SER A 57 -1.964 3.364 -0.336 1.00 0.00 H new ATOM 0 HB3 SER A 57 -0.845 4.712 -0.359 1.00 0.00 H new ATOM 0 HG SER A 57 -3.053 5.400 -0.539 1.00 0.00 H new ATOM 834 N HIS A 58 -2.042 3.607 -4.317 1.00 0.00 N ATOM 835 CA HIS A 58 -3.000 3.155 -5.320 1.00 0.00 C ATOM 836 C HIS A 58 -2.532 1.857 -5.970 1.00 0.00 C ATOM 837 O HIS A 58 -3.335 0.963 -6.242 1.00 0.00 O ATOM 838 CB HIS A 58 -3.199 4.231 -6.387 1.00 0.00 C ATOM 839 CG HIS A 58 -3.545 5.576 -5.825 1.00 0.00 C ATOM 840 ND1 HIS A 58 -2.718 6.674 -5.938 1.00 0.00 N ATOM 841 CD2 HIS A 58 -4.636 5.997 -5.144 1.00 0.00 C ATOM 842 CE1 HIS A 58 -3.286 7.712 -5.350 1.00 0.00 C ATOM 843 NE2 HIS A 58 -4.451 7.327 -4.860 1.00 0.00 N ATOM 0 H HIS A 58 -1.490 4.418 -4.596 1.00 0.00 H new ATOM 0 HA HIS A 58 -3.951 2.969 -4.821 1.00 0.00 H new ATOM 0 HB2 HIS A 58 -2.288 4.317 -6.979 1.00 0.00 H new ATOM 0 HB3 HIS A 58 -3.991 3.915 -7.066 1.00 0.00 H new ATOM 0 HD2 HIS A 58 -5.493 5.398 -4.874 1.00 0.00 H new ATOM 0 HE1 HIS A 58 -2.869 8.706 -5.282 1.00 0.00 H new ATOM 0 HE2 HIS A 58 -5.107 7.922 -4.353 1.00 0.00 H new ATOM 852 N TYR A 59 -1.231 1.759 -6.217 1.00 0.00 N ATOM 853 CA TYR A 59 -0.658 0.572 -6.839 1.00 0.00 C ATOM 854 C TYR A 59 -0.552 -0.572 -5.834 1.00 0.00 C ATOM 855 O TYR A 59 -0.521 -1.744 -6.211 1.00 0.00 O ATOM 856 CB TYR A 59 0.723 0.888 -7.415 1.00 0.00 C ATOM 857 CG TYR A 59 0.680 1.778 -8.637 1.00 0.00 C ATOM 858 CD1 TYR A 59 -0.005 2.987 -8.617 1.00 0.00 C ATOM 859 CD2 TYR A 59 1.323 1.409 -9.812 1.00 0.00 C ATOM 860 CE1 TYR A 59 -0.048 3.802 -9.731 1.00 0.00 C ATOM 861 CE2 TYR A 59 1.286 2.219 -10.931 1.00 0.00 C ATOM 862 CZ TYR A 59 0.599 3.414 -10.885 1.00 0.00 C ATOM 863 OH TYR A 59 0.559 4.224 -11.998 1.00 0.00 O ATOM 0 H TYR A 59 -0.553 2.488 -5.996 1.00 0.00 H new ATOM 0 HA TYR A 59 -1.319 0.262 -7.648 1.00 0.00 H new ATOM 0 HB2 TYR A 59 1.327 1.370 -6.646 1.00 0.00 H new ATOM 0 HB3 TYR A 59 1.222 -0.046 -7.673 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -0.512 3.295 -7.715 1.00 0.00 H new ATOM 0 HD2 TYR A 59 1.861 0.473 -9.852 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -0.585 4.738 -9.698 1.00 0.00 H new ATOM 0 HE2 TYR A 59 1.792 1.918 -11.836 1.00 0.00 H new ATOM 0 HH TYR A 59 1.065 3.806 -12.725 1.00 0.00 H new ATOM 873 N LEU A 60 -0.496 -0.222 -4.554 1.00 0.00 N ATOM 874 CA LEU A 60 -0.394 -1.218 -3.492 1.00 0.00 C ATOM 875 C LEU A 60 -1.778 -1.664 -3.030 1.00 0.00 C ATOM 876 O LEU A 60 -2.710 -0.863 -2.962 1.00 0.00 O ATOM 877 CB LEU A 60 0.393 -0.652 -2.309 1.00 0.00 C ATOM 878 CG LEU A 60 1.766 -0.063 -2.637 1.00 0.00 C ATOM 879 CD1 LEU A 60 2.277 0.776 -1.476 1.00 0.00 C ATOM 880 CD2 LEU A 60 2.754 -1.169 -2.974 1.00 0.00 C ATOM 0 H LEU A 60 -0.519 0.743 -4.226 1.00 0.00 H new ATOM 0 HA LEU A 60 0.133 -2.085 -3.890 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -0.209 0.123 -1.835 1.00 0.00 H new ATOM 0 HB3 LEU A 60 0.526 -1.446 -1.574 1.00 0.00 H new ATOM 0 HG LEU A 60 1.665 0.583 -3.509 1.00 0.00 H new ATOM 0 HD11 LEU A 60 3.255 1.187 -1.727 1.00 0.00 H new ATOM 0 HD12 LEU A 60 1.580 1.591 -1.281 1.00 0.00 H new ATOM 0 HD13 LEU A 60 2.363 0.152 -0.586 1.00 0.00 H new ATOM 0 HD21 LEU A 60 3.725 -0.731 -3.205 1.00 0.00 H new ATOM 0 HD22 LEU A 60 2.852 -1.841 -2.122 1.00 0.00 H new ATOM 0 HD23 LEU A 60 2.394 -1.728 -3.838 1.00 0.00 H new ATOM 892 N VAL A 61 -1.903 -2.949 -2.712 1.00 0.00 N ATOM 893 CA VAL A 61 -3.172 -3.502 -2.253 1.00 0.00 C ATOM 894 C VAL A 61 -3.282 -3.436 -0.734 1.00 0.00 C ATOM 895 O VAL A 61 -2.374 -3.855 -0.016 1.00 0.00 O ATOM 896 CB VAL A 61 -3.343 -4.964 -2.706 1.00 0.00 C ATOM 897 CG1 VAL A 61 -3.286 -5.064 -4.223 1.00 0.00 C ATOM 898 CG2 VAL A 61 -2.284 -5.848 -2.066 1.00 0.00 C ATOM 0 H VAL A 61 -1.142 -3.626 -2.764 1.00 0.00 H new ATOM 0 HA VAL A 61 -3.961 -2.897 -2.698 1.00 0.00 H new ATOM 0 HB VAL A 61 -4.322 -5.314 -2.379 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -3.409 -6.104 -4.524 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -4.086 -4.464 -4.657 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -2.323 -4.695 -4.576 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -2.420 -6.877 -2.398 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -1.294 -5.500 -2.360 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -2.378 -5.801 -0.981 1.00 0.00 H new