USER MOD reduce.3.24.130724 H: found=0, std=0, add=408, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 410 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 38 THR OG1 : rot -28:sc= 0.524 USER MOD Set 1.2: A 56 GLN : amide:sc= -1.75 K(o=-1.2,f=-3.1!) USER MOD Set 2.1: A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 36 THR OG1 : rot 180:sc= 0 USER MOD Set 3.1: A 15 MET CE :methyl -120:sc= -2.87! (180deg=-4.64!) USER MOD Set 3.2: A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 10 THR OG1 : rot 27:sc= 0.0562 USER MOD Single : A 25 ASN : amide:sc= 0 X(o=0,f=-0.044) USER MOD Single : A 28 THR OG1 : rot 180:sc= -0.241 USER MOD Single : A 30 THR OG1 : rot 180:sc= -0.176 USER MOD Single : A 39 ASN : amide:sc= -1.27 K(o=-1.3,f=-2.3!) USER MOD Single : A 41 ASN : amide:sc= 0 K(o=0,f=-0.76) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 ASN : amide:sc= -3.9! C(o=-3.9!,f=-19!) USER MOD Single : A 52 ASN : amide:sc= 0.0385 K(o=0.038,f=-0.91) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 THR OG1 : rot -73:sc= 0.196 USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 93 N THR A 10 1.100 12.837 -1.255 1.00 0.00 N ATOM 94 CA THR A 10 0.161 11.906 -0.643 1.00 0.00 C ATOM 95 C THR A 10 0.867 10.634 -0.185 1.00 0.00 C ATOM 96 O THR A 10 1.866 10.220 -0.775 1.00 0.00 O ATOM 97 CB THR A 10 -0.971 11.528 -1.616 1.00 0.00 C ATOM 98 OG1 THR A 10 -1.688 12.703 -2.012 1.00 0.00 O ATOM 99 CG2 THR A 10 -1.929 10.536 -0.974 1.00 0.00 C ATOM 0 HA THR A 10 -0.267 12.413 0.222 1.00 0.00 H new ATOM 0 HB THR A 10 -0.525 11.061 -2.494 1.00 0.00 H new ATOM 0 HG1 THR A 10 -1.096 13.482 -1.957 1.00 0.00 H new ATOM 0 HG21 THR A 10 -2.720 10.284 -1.681 1.00 0.00 H new ATOM 0 HG22 THR A 10 -1.386 9.631 -0.700 1.00 0.00 H new ATOM 0 HG23 THR A 10 -2.368 10.980 -0.081 1.00 0.00 H new ATOM 107 N LYS A 11 0.343 10.018 0.868 1.00 0.00 N ATOM 108 CA LYS A 11 0.921 8.792 1.405 1.00 0.00 C ATOM 109 C LYS A 11 -0.167 7.773 1.727 1.00 0.00 C ATOM 110 O LYS A 11 -1.236 8.128 2.223 1.00 0.00 O ATOM 111 CB LYS A 11 1.738 9.096 2.662 1.00 0.00 C ATOM 112 CG LYS A 11 2.929 10.005 2.409 1.00 0.00 C ATOM 113 CD LYS A 11 4.161 9.210 2.008 1.00 0.00 C ATOM 114 CE LYS A 11 5.249 10.114 1.449 1.00 0.00 C ATOM 115 NZ LYS A 11 6.525 9.377 1.232 1.00 0.00 N ATOM 0 H LYS A 11 -0.483 10.348 1.368 1.00 0.00 H new ATOM 0 HA LYS A 11 1.578 8.368 0.646 1.00 0.00 H new ATOM 0 HB2 LYS A 11 1.088 9.560 3.404 1.00 0.00 H new ATOM 0 HB3 LYS A 11 2.092 8.158 3.091 1.00 0.00 H new ATOM 0 HG2 LYS A 11 2.683 10.718 1.622 1.00 0.00 H new ATOM 0 HG3 LYS A 11 3.144 10.583 3.308 1.00 0.00 H new ATOM 0 HD2 LYS A 11 4.544 8.670 2.873 1.00 0.00 H new ATOM 0 HD3 LYS A 11 3.887 8.464 1.262 1.00 0.00 H new ATOM 0 HE2 LYS A 11 4.914 10.545 0.506 1.00 0.00 H new ATOM 0 HE3 LYS A 11 5.421 10.943 2.135 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 7.241 10.028 0.851 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 6.859 8.987 2.136 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 6.367 8.601 0.557 1.00 0.00 H new ATOM 129 N ALA A 12 0.113 6.505 1.443 1.00 0.00 N ATOM 130 CA ALA A 12 -0.840 5.434 1.706 1.00 0.00 C ATOM 131 C ALA A 12 -0.194 4.309 2.507 1.00 0.00 C ATOM 132 O ALA A 12 0.967 3.965 2.287 1.00 0.00 O ATOM 133 CB ALA A 12 -1.405 4.898 0.399 1.00 0.00 C ATOM 0 H ALA A 12 0.993 6.195 1.031 1.00 0.00 H new ATOM 0 HA ALA A 12 -1.656 5.845 2.300 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -2.115 4.099 0.610 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -1.912 5.702 -0.135 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -0.593 4.509 -0.216 1.00 0.00 H new ATOM 139 N ARG A 13 -0.954 3.739 3.437 1.00 0.00 N ATOM 140 CA ARG A 13 -0.455 2.653 4.272 1.00 0.00 C ATOM 141 C ARG A 13 -0.945 1.302 3.758 1.00 0.00 C ATOM 142 O ARG A 13 -2.110 1.153 3.389 1.00 0.00 O ATOM 143 CB ARG A 13 -0.899 2.851 5.722 1.00 0.00 C ATOM 144 CG ARG A 13 -0.044 2.098 6.729 1.00 0.00 C ATOM 145 CD ARG A 13 -0.611 2.211 8.136 1.00 0.00 C ATOM 146 NE ARG A 13 -0.157 3.423 8.813 1.00 0.00 N ATOM 147 CZ ARG A 13 1.014 3.524 9.432 1.00 0.00 C ATOM 148 NH1 ARG A 13 1.845 2.491 9.459 1.00 0.00 N ATOM 149 NH2 ARG A 13 1.356 4.660 10.026 1.00 0.00 N ATOM 0 H ARG A 13 -1.918 4.011 3.631 1.00 0.00 H new ATOM 0 HA ARG A 13 0.634 2.665 4.228 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -0.873 3.915 5.959 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -1.935 2.527 5.823 1.00 0.00 H new ATOM 0 HG2 ARG A 13 0.017 1.048 6.443 1.00 0.00 H new ATOM 0 HG3 ARG A 13 0.972 2.492 6.712 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -1.700 2.208 8.089 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -0.314 1.338 8.718 1.00 0.00 H new ATOM 0 HE ARG A 13 -0.773 4.236 8.810 1.00 0.00 H new ATOM 0 HH11 ARG A 13 1.586 1.616 9.004 1.00 0.00 H new ATOM 0 HH12 ARG A 13 2.743 2.572 9.935 1.00 0.00 H new ATOM 0 HH21 ARG A 13 0.720 5.457 10.008 1.00 0.00 H new ATOM 0 HH22 ARG A 13 2.255 4.736 10.501 1.00 0.00 H new ATOM 163 N VAL A 14 -0.048 0.322 3.737 1.00 0.00 N ATOM 164 CA VAL A 14 -0.389 -1.016 3.269 1.00 0.00 C ATOM 165 C VAL A 14 -1.112 -1.809 4.352 1.00 0.00 C ATOM 166 O VAL A 14 -0.664 -1.868 5.496 1.00 0.00 O ATOM 167 CB VAL A 14 0.866 -1.794 2.831 1.00 0.00 C ATOM 168 CG1 VAL A 14 0.490 -3.188 2.352 1.00 0.00 C ATOM 169 CG2 VAL A 14 1.612 -1.032 1.746 1.00 0.00 C ATOM 0 H VAL A 14 0.920 0.429 4.039 1.00 0.00 H new ATOM 0 HA VAL A 14 -1.049 -0.892 2.411 1.00 0.00 H new ATOM 0 HB VAL A 14 1.527 -1.898 3.691 1.00 0.00 H new ATOM 0 HG11 VAL A 14 1.389 -3.723 2.047 1.00 0.00 H new ATOM 0 HG12 VAL A 14 0.002 -3.731 3.161 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -0.191 -3.110 1.505 1.00 0.00 H new ATOM 0 HG21 VAL A 14 2.496 -1.596 1.448 1.00 0.00 H new ATOM 0 HG22 VAL A 14 0.960 -0.896 0.883 1.00 0.00 H new ATOM 0 HG23 VAL A 14 1.915 -0.057 2.129 1.00 0.00 H new ATOM 179 N MET A 15 -2.234 -2.418 3.982 1.00 0.00 N ATOM 180 CA MET A 15 -3.019 -3.210 4.922 1.00 0.00 C ATOM 181 C MET A 15 -2.667 -4.690 4.814 1.00 0.00 C ATOM 182 O MET A 15 -2.688 -5.417 5.807 1.00 0.00 O ATOM 183 CB MET A 15 -4.514 -3.010 4.666 1.00 0.00 C ATOM 184 CG MET A 15 -4.904 -1.557 4.448 1.00 0.00 C ATOM 185 SD MET A 15 -6.354 -1.378 3.392 1.00 0.00 S ATOM 186 CE MET A 15 -7.361 -2.744 3.964 1.00 0.00 C ATOM 0 H MET A 15 -2.620 -2.378 3.039 1.00 0.00 H new ATOM 0 HA MET A 15 -2.781 -2.871 5.930 1.00 0.00 H new ATOM 0 HB2 MET A 15 -4.805 -3.591 3.791 1.00 0.00 H new ATOM 0 HB3 MET A 15 -5.075 -3.405 5.513 1.00 0.00 H new ATOM 0 HG2 MET A 15 -5.102 -1.089 5.413 1.00 0.00 H new ATOM 0 HG3 MET A 15 -4.066 -1.023 4.001 1.00 0.00 H new ATOM 0 HE1 MET A 15 -7.554 -3.425 3.135 1.00 0.00 H new ATOM 0 HE2 MET A 15 -6.835 -3.277 4.757 1.00 0.00 H new ATOM 0 HE3 MET A 15 -8.307 -2.363 4.349 1.00 0.00 H new ATOM 196 N TYR A 16 -2.343 -5.129 3.603 1.00 0.00 N ATOM 197 CA TYR A 16 -1.988 -6.523 3.365 1.00 0.00 C ATOM 198 C TYR A 16 -0.794 -6.628 2.421 1.00 0.00 C ATOM 199 O TYR A 16 -0.768 -6.000 1.362 1.00 0.00 O ATOM 200 CB TYR A 16 -3.182 -7.282 2.782 1.00 0.00 C ATOM 201 CG TYR A 16 -4.506 -6.893 3.398 1.00 0.00 C ATOM 202 CD1 TYR A 16 -4.762 -7.118 4.745 1.00 0.00 C ATOM 203 CD2 TYR A 16 -5.502 -6.299 2.632 1.00 0.00 C ATOM 204 CE1 TYR A 16 -5.971 -6.764 5.311 1.00 0.00 C ATOM 205 CE2 TYR A 16 -6.714 -5.940 3.191 1.00 0.00 C ATOM 206 CZ TYR A 16 -6.944 -6.175 4.530 1.00 0.00 C ATOM 207 OH TYR A 16 -8.149 -5.820 5.091 1.00 0.00 O ATOM 0 H TYR A 16 -2.319 -4.540 2.771 1.00 0.00 H new ATOM 0 HA TYR A 16 -1.713 -6.970 4.320 1.00 0.00 H new ATOM 0 HB2 TYR A 16 -3.225 -7.105 1.707 1.00 0.00 H new ATOM 0 HB3 TYR A 16 -3.026 -8.352 2.923 1.00 0.00 H new ATOM 0 HD1 TYR A 16 -4.002 -7.578 5.360 1.00 0.00 H new ATOM 0 HD2 TYR A 16 -5.326 -6.115 1.582 1.00 0.00 H new ATOM 0 HE1 TYR A 16 -6.154 -6.947 6.360 1.00 0.00 H new ATOM 0 HE2 TYR A 16 -7.477 -5.478 2.582 1.00 0.00 H new ATOM 0 HH TYR A 16 -8.722 -5.417 4.406 1.00 0.00 H new ATOM 217 N ASP A 17 0.192 -7.427 2.812 1.00 0.00 N ATOM 218 CA ASP A 17 1.390 -7.617 2.001 1.00 0.00 C ATOM 219 C ASP A 17 1.022 -7.959 0.561 1.00 0.00 C ATOM 220 O ASP A 17 0.145 -8.787 0.313 1.00 0.00 O ATOM 221 CB ASP A 17 2.262 -8.724 2.594 1.00 0.00 C ATOM 222 CG ASP A 17 3.540 -8.938 1.807 1.00 0.00 C ATOM 223 OD1 ASP A 17 3.971 -7.997 1.109 1.00 0.00 O ATOM 224 OD2 ASP A 17 4.109 -10.047 1.889 1.00 0.00 O ATOM 0 H ASP A 17 0.186 -7.954 3.685 1.00 0.00 H new ATOM 0 HA ASP A 17 1.952 -6.683 2.002 1.00 0.00 H new ATOM 0 HB2 ASP A 17 2.511 -8.473 3.625 1.00 0.00 H new ATOM 0 HB3 ASP A 17 1.695 -9.654 2.620 1.00 0.00 H new ATOM 229 N PHE A 18 1.697 -7.315 -0.385 1.00 0.00 N ATOM 230 CA PHE A 18 1.440 -7.549 -1.802 1.00 0.00 C ATOM 231 C PHE A 18 2.747 -7.713 -2.572 1.00 0.00 C ATOM 232 O PHE A 18 3.617 -6.844 -2.530 1.00 0.00 O ATOM 233 CB PHE A 18 0.628 -6.394 -2.392 1.00 0.00 C ATOM 234 CG PHE A 18 0.192 -6.631 -3.810 1.00 0.00 C ATOM 235 CD1 PHE A 18 -0.854 -7.494 -4.092 1.00 0.00 C ATOM 236 CD2 PHE A 18 0.830 -5.991 -4.860 1.00 0.00 C ATOM 237 CE1 PHE A 18 -1.257 -7.714 -5.396 1.00 0.00 C ATOM 238 CE2 PHE A 18 0.430 -6.206 -6.166 1.00 0.00 C ATOM 239 CZ PHE A 18 -0.614 -7.070 -6.434 1.00 0.00 C ATOM 0 H PHE A 18 2.426 -6.627 -0.197 1.00 0.00 H new ATOM 0 HA PHE A 18 0.867 -8.471 -1.894 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -0.253 -6.226 -1.773 1.00 0.00 H new ATOM 0 HB3 PHE A 18 1.225 -5.483 -2.351 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -1.361 -8.001 -3.284 1.00 0.00 H new ATOM 0 HD2 PHE A 18 1.649 -5.317 -4.656 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -2.074 -8.389 -5.602 1.00 0.00 H new ATOM 0 HE2 PHE A 18 0.933 -5.699 -6.976 1.00 0.00 H new ATOM 0 HZ PHE A 18 -0.927 -7.241 -7.454 1.00 0.00 H new ATOM 249 N ALA A 19 2.876 -8.834 -3.274 1.00 0.00 N ATOM 250 CA ALA A 19 4.075 -9.112 -4.055 1.00 0.00 C ATOM 251 C ALA A 19 3.794 -9.006 -5.550 1.00 0.00 C ATOM 252 O ALA A 19 3.352 -9.968 -6.177 1.00 0.00 O ATOM 253 CB ALA A 19 4.618 -10.492 -3.714 1.00 0.00 C ATOM 0 H ALA A 19 2.165 -9.564 -3.318 1.00 0.00 H new ATOM 0 HA ALA A 19 4.826 -8.365 -3.800 1.00 0.00 H new ATOM 0 HB1 ALA A 19 5.513 -10.687 -4.304 1.00 0.00 H new ATOM 0 HB2 ALA A 19 4.866 -10.533 -2.654 1.00 0.00 H new ATOM 0 HB3 ALA A 19 3.864 -11.246 -3.940 1.00 0.00 H new ATOM 259 N ALA A 20 4.051 -7.831 -6.114 1.00 0.00 N ATOM 260 CA ALA A 20 3.827 -7.601 -7.536 1.00 0.00 C ATOM 261 C ALA A 20 4.116 -8.858 -8.348 1.00 0.00 C ATOM 262 O ALA A 20 5.202 -9.429 -8.259 1.00 0.00 O ATOM 263 CB ALA A 20 4.686 -6.444 -8.025 1.00 0.00 C ATOM 0 H ALA A 20 4.415 -7.023 -5.608 1.00 0.00 H new ATOM 0 HA ALA A 20 2.777 -7.344 -7.676 1.00 0.00 H new ATOM 0 HB1 ALA A 20 4.509 -6.283 -9.088 1.00 0.00 H new ATOM 0 HB2 ALA A 20 4.427 -5.540 -7.473 1.00 0.00 H new ATOM 0 HB3 ALA A 20 5.738 -6.679 -7.864 1.00 0.00 H new ATOM 319 N ASN A 25 3.549 -5.582 -14.837 1.00 0.00 N ATOM 320 CA ASN A 25 3.506 -4.148 -14.575 1.00 0.00 C ATOM 321 C ASN A 25 2.870 -3.861 -13.218 1.00 0.00 C ATOM 322 O ASN A 25 1.762 -3.333 -13.141 1.00 0.00 O ATOM 323 CB ASN A 25 2.725 -3.431 -15.679 1.00 0.00 C ATOM 324 CG ASN A 25 3.013 -4.001 -17.054 1.00 0.00 C ATOM 325 OD1 ASN A 25 4.166 -4.246 -17.408 1.00 0.00 O ATOM 326 ND2 ASN A 25 1.962 -4.215 -17.837 1.00 0.00 N ATOM 0 HA ASN A 25 4.530 -3.775 -14.562 1.00 0.00 H new ATOM 0 HB2 ASN A 25 1.657 -3.507 -15.473 1.00 0.00 H new ATOM 0 HB3 ASN A 25 2.977 -2.370 -15.668 1.00 0.00 H new ATOM 0 HD21 ASN A 25 2.093 -4.597 -18.773 1.00 0.00 H new ATOM 0 HD22 ASN A 25 1.024 -3.997 -17.502 1.00 0.00 H new ATOM 333 N GLU A 26 3.581 -4.213 -12.152 1.00 0.00 N ATOM 334 CA GLU A 26 3.086 -3.993 -10.798 1.00 0.00 C ATOM 335 C GLU A 26 4.231 -3.650 -9.849 1.00 0.00 C ATOM 336 O GLU A 26 5.401 -3.870 -10.164 1.00 0.00 O ATOM 337 CB GLU A 26 2.346 -5.234 -10.294 1.00 0.00 C ATOM 338 CG GLU A 26 1.019 -5.477 -10.993 1.00 0.00 C ATOM 339 CD GLU A 26 0.087 -6.359 -10.185 1.00 0.00 C ATOM 340 OE1 GLU A 26 0.553 -7.396 -9.668 1.00 0.00 O ATOM 341 OE2 GLU A 26 -1.107 -6.014 -10.070 1.00 0.00 O ATOM 0 H GLU A 26 4.501 -4.651 -12.199 1.00 0.00 H new ATOM 0 HA GLU A 26 2.394 -3.151 -10.824 1.00 0.00 H new ATOM 0 HB2 GLU A 26 2.984 -6.107 -10.430 1.00 0.00 H new ATOM 0 HB3 GLU A 26 2.170 -5.132 -9.223 1.00 0.00 H new ATOM 0 HG2 GLU A 26 0.533 -4.520 -11.184 1.00 0.00 H new ATOM 0 HG3 GLU A 26 1.203 -5.941 -11.962 1.00 0.00 H new ATOM 348 N LEU A 27 3.885 -3.108 -8.686 1.00 0.00 N ATOM 349 CA LEU A 27 4.882 -2.733 -7.690 1.00 0.00 C ATOM 350 C LEU A 27 4.823 -3.664 -6.483 1.00 0.00 C ATOM 351 O LEU A 27 3.745 -4.085 -6.062 1.00 0.00 O ATOM 352 CB LEU A 27 4.667 -1.286 -7.244 1.00 0.00 C ATOM 353 CG LEU A 27 5.440 -0.845 -6.001 1.00 0.00 C ATOM 354 CD1 LEU A 27 6.840 -0.384 -6.378 1.00 0.00 C ATOM 355 CD2 LEU A 27 4.691 0.260 -5.271 1.00 0.00 C ATOM 0 H LEU A 27 2.921 -2.919 -8.410 1.00 0.00 H new ATOM 0 HA LEU A 27 5.868 -2.823 -8.147 1.00 0.00 H new ATOM 0 HB2 LEU A 27 4.940 -0.628 -8.069 1.00 0.00 H new ATOM 0 HB3 LEU A 27 3.603 -1.139 -7.057 1.00 0.00 H new ATOM 0 HG LEU A 27 5.530 -1.700 -5.331 1.00 0.00 H new ATOM 0 HD11 LEU A 27 7.375 -0.074 -5.480 1.00 0.00 H new ATOM 0 HD12 LEU A 27 7.377 -1.204 -6.855 1.00 0.00 H new ATOM 0 HD13 LEU A 27 6.773 0.457 -7.069 1.00 0.00 H new ATOM 0 HD21 LEU A 27 5.256 0.561 -4.389 1.00 0.00 H new ATOM 0 HD22 LEU A 27 4.569 1.117 -5.934 1.00 0.00 H new ATOM 0 HD23 LEU A 27 3.710 -0.105 -4.966 1.00 0.00 H new ATOM 367 N THR A 28 5.989 -3.980 -5.928 1.00 0.00 N ATOM 368 CA THR A 28 6.070 -4.859 -4.768 1.00 0.00 C ATOM 369 C THR A 28 6.103 -4.058 -3.472 1.00 0.00 C ATOM 370 O THR A 28 6.956 -3.190 -3.288 1.00 0.00 O ATOM 371 CB THR A 28 7.317 -5.761 -4.833 1.00 0.00 C ATOM 372 OG1 THR A 28 7.302 -6.532 -6.039 1.00 0.00 O ATOM 373 CG2 THR A 28 7.376 -6.691 -3.631 1.00 0.00 C ATOM 0 H THR A 28 6.890 -3.640 -6.263 1.00 0.00 H new ATOM 0 HA THR A 28 5.177 -5.484 -4.782 1.00 0.00 H new ATOM 0 HB THR A 28 8.200 -5.123 -4.822 1.00 0.00 H new ATOM 0 HG1 THR A 28 8.099 -7.101 -6.073 1.00 0.00 H new ATOM 0 HG21 THR A 28 8.265 -7.318 -3.699 1.00 0.00 H new ATOM 0 HG22 THR A 28 7.418 -6.100 -2.716 1.00 0.00 H new ATOM 0 HG23 THR A 28 6.487 -7.322 -3.615 1.00 0.00 H new ATOM 381 N VAL A 29 5.169 -4.355 -2.574 1.00 0.00 N ATOM 382 CA VAL A 29 5.092 -3.663 -1.293 1.00 0.00 C ATOM 383 C VAL A 29 4.842 -4.644 -0.153 1.00 0.00 C ATOM 384 O VAL A 29 4.773 -5.856 -0.364 1.00 0.00 O ATOM 385 CB VAL A 29 3.977 -2.601 -1.295 1.00 0.00 C ATOM 386 CG1 VAL A 29 4.383 -1.402 -2.139 1.00 0.00 C ATOM 387 CG2 VAL A 29 2.672 -3.199 -1.797 1.00 0.00 C ATOM 0 H VAL A 29 4.455 -5.070 -2.710 1.00 0.00 H new ATOM 0 HA VAL A 29 6.052 -3.170 -1.141 1.00 0.00 H new ATOM 0 HB VAL A 29 3.823 -2.259 -0.271 1.00 0.00 H new ATOM 0 HG11 VAL A 29 3.583 -0.662 -2.129 1.00 0.00 H new ATOM 0 HG12 VAL A 29 5.291 -0.960 -1.730 1.00 0.00 H new ATOM 0 HG13 VAL A 29 4.566 -1.724 -3.164 1.00 0.00 H new ATOM 0 HG21 VAL A 29 1.895 -2.434 -1.792 1.00 0.00 H new ATOM 0 HG22 VAL A 29 2.809 -3.570 -2.813 1.00 0.00 H new ATOM 0 HG23 VAL A 29 2.375 -4.022 -1.147 1.00 0.00 H new ATOM 397 N THR A 30 4.706 -4.113 1.059 1.00 0.00 N ATOM 398 CA THR A 30 4.465 -4.941 2.233 1.00 0.00 C ATOM 399 C THR A 30 3.605 -4.207 3.256 1.00 0.00 C ATOM 400 O THR A 30 3.318 -3.021 3.101 1.00 0.00 O ATOM 401 CB THR A 30 5.786 -5.367 2.902 1.00 0.00 C ATOM 402 OG1 THR A 30 5.531 -6.361 3.901 1.00 0.00 O ATOM 403 CG2 THR A 30 6.482 -4.172 3.534 1.00 0.00 C ATOM 0 H THR A 30 4.759 -3.113 1.252 1.00 0.00 H new ATOM 0 HA THR A 30 3.937 -5.831 1.889 1.00 0.00 H new ATOM 0 HB THR A 30 6.439 -5.783 2.135 1.00 0.00 H new ATOM 0 HG1 THR A 30 6.376 -6.628 4.320 1.00 0.00 H new ATOM 0 HG21 THR A 30 7.412 -4.497 4.000 1.00 0.00 H new ATOM 0 HG22 THR A 30 6.701 -3.430 2.766 1.00 0.00 H new ATOM 0 HG23 THR A 30 5.832 -3.730 4.290 1.00 0.00 H new ATOM 411 N GLU A 31 3.197 -4.921 4.301 1.00 0.00 N ATOM 412 CA GLU A 31 2.370 -4.335 5.349 1.00 0.00 C ATOM 413 C GLU A 31 3.189 -3.396 6.229 1.00 0.00 C ATOM 414 O GLU A 31 4.292 -3.734 6.657 1.00 0.00 O ATOM 415 CB GLU A 31 1.740 -5.435 6.206 1.00 0.00 C ATOM 416 CG GLU A 31 0.893 -4.905 7.351 1.00 0.00 C ATOM 417 CD GLU A 31 0.634 -5.950 8.418 1.00 0.00 C ATOM 418 OE1 GLU A 31 0.362 -7.114 8.057 1.00 0.00 O ATOM 419 OE2 GLU A 31 0.705 -5.604 9.616 1.00 0.00 O ATOM 0 H GLU A 31 3.426 -5.905 4.444 1.00 0.00 H new ATOM 0 HA GLU A 31 1.579 -3.758 4.871 1.00 0.00 H new ATOM 0 HB2 GLU A 31 1.121 -6.069 5.571 1.00 0.00 H new ATOM 0 HB3 GLU A 31 2.531 -6.065 6.612 1.00 0.00 H new ATOM 0 HG2 GLU A 31 1.393 -4.048 7.801 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -0.059 -4.548 6.959 1.00 0.00 H new ATOM 426 N GLY A 32 2.641 -2.214 6.494 1.00 0.00 N ATOM 427 CA GLY A 32 3.335 -1.243 7.320 1.00 0.00 C ATOM 428 C GLY A 32 4.248 -0.342 6.513 1.00 0.00 C ATOM 429 O GLY A 32 4.628 0.736 6.970 1.00 0.00 O ATOM 0 H GLY A 32 1.729 -1.912 6.152 1.00 0.00 H new ATOM 0 HA2 GLY A 32 2.604 -0.633 7.850 1.00 0.00 H new ATOM 0 HA3 GLY A 32 3.921 -1.766 8.075 1.00 0.00 H new ATOM 433 N GLU A 33 4.602 -0.784 5.310 1.00 0.00 N ATOM 434 CA GLU A 33 5.479 -0.010 4.440 1.00 0.00 C ATOM 435 C GLU A 33 4.725 1.156 3.807 1.00 0.00 C ATOM 436 O GLU A 33 3.597 0.998 3.337 1.00 0.00 O ATOM 437 CB GLU A 33 6.068 -0.903 3.347 1.00 0.00 C ATOM 438 CG GLU A 33 6.682 -0.129 2.192 1.00 0.00 C ATOM 439 CD GLU A 33 7.728 -0.931 1.443 1.00 0.00 C ATOM 440 OE1 GLU A 33 8.230 -1.926 2.007 1.00 0.00 O ATOM 441 OE2 GLU A 33 8.045 -0.563 0.292 1.00 0.00 O ATOM 0 H GLU A 33 4.295 -1.673 4.916 1.00 0.00 H new ATOM 0 HA GLU A 33 6.290 0.390 5.048 1.00 0.00 H new ATOM 0 HB2 GLU A 33 6.829 -1.547 3.787 1.00 0.00 H new ATOM 0 HB3 GLU A 33 5.284 -1.554 2.961 1.00 0.00 H new ATOM 0 HG2 GLU A 33 5.894 0.170 1.500 1.00 0.00 H new ATOM 0 HG3 GLU A 33 7.135 0.786 2.573 1.00 0.00 H new ATOM 448 N ILE A 34 5.355 2.326 3.798 1.00 0.00 N ATOM 449 CA ILE A 34 4.744 3.518 3.223 1.00 0.00 C ATOM 450 C ILE A 34 5.293 3.798 1.828 1.00 0.00 C ATOM 451 O ILE A 34 6.478 3.590 1.563 1.00 0.00 O ATOM 452 CB ILE A 34 4.977 4.754 4.111 1.00 0.00 C ATOM 453 CG1 ILE A 34 4.415 4.514 5.514 1.00 0.00 C ATOM 454 CG2 ILE A 34 4.339 5.985 3.484 1.00 0.00 C ATOM 455 CD1 ILE A 34 2.955 4.119 5.521 1.00 0.00 C ATOM 0 H ILE A 34 6.288 2.474 4.182 1.00 0.00 H new ATOM 0 HA ILE A 34 3.673 3.324 3.158 1.00 0.00 H new ATOM 0 HB ILE A 34 6.050 4.926 4.193 1.00 0.00 H new ATOM 0 HG12 ILE A 34 4.997 3.731 6.001 1.00 0.00 H new ATOM 0 HG13 ILE A 34 4.541 5.420 6.107 1.00 0.00 H new ATOM 0 HG21 ILE A 34 4.512 6.850 4.124 1.00 0.00 H new ATOM 0 HG22 ILE A 34 4.780 6.164 2.504 1.00 0.00 H new ATOM 0 HG23 ILE A 34 3.267 5.823 3.375 1.00 0.00 H new ATOM 0 HD11 ILE A 34 2.625 3.965 6.548 1.00 0.00 H new ATOM 0 HD12 ILE A 34 2.362 4.911 5.064 1.00 0.00 H new ATOM 0 HD13 ILE A 34 2.825 3.196 4.956 1.00 0.00 H new ATOM 467 N ILE A 35 4.426 4.273 0.941 1.00 0.00 N ATOM 468 CA ILE A 35 4.824 4.585 -0.426 1.00 0.00 C ATOM 469 C ILE A 35 4.232 5.914 -0.882 1.00 0.00 C ATOM 470 O ILE A 35 3.348 6.470 -0.229 1.00 0.00 O ATOM 471 CB ILE A 35 4.389 3.479 -1.405 1.00 0.00 C ATOM 472 CG1 ILE A 35 2.866 3.331 -1.397 1.00 0.00 C ATOM 473 CG2 ILE A 35 5.057 2.160 -1.046 1.00 0.00 C ATOM 474 CD1 ILE A 35 2.309 2.746 -2.677 1.00 0.00 C ATOM 0 H ILE A 35 3.442 4.450 1.145 1.00 0.00 H new ATOM 0 HA ILE A 35 5.912 4.655 -0.429 1.00 0.00 H new ATOM 0 HB ILE A 35 4.703 3.760 -2.410 1.00 0.00 H new ATOM 0 HG12 ILE A 35 2.575 2.696 -0.560 1.00 0.00 H new ATOM 0 HG13 ILE A 35 2.415 4.309 -1.227 1.00 0.00 H new ATOM 0 HG21 ILE A 35 4.739 1.388 -1.747 1.00 0.00 H new ATOM 0 HG22 ILE A 35 6.140 2.274 -1.098 1.00 0.00 H new ATOM 0 HG23 ILE A 35 4.771 1.871 -0.035 1.00 0.00 H new ATOM 0 HD11 ILE A 35 1.224 2.670 -2.600 1.00 0.00 H new ATOM 0 HD12 ILE A 35 2.569 3.392 -3.516 1.00 0.00 H new ATOM 0 HD13 ILE A 35 2.732 1.754 -2.838 1.00 0.00 H new ATOM 486 N THR A 36 4.724 6.419 -2.009 1.00 0.00 N ATOM 487 CA THR A 36 4.244 7.683 -2.553 1.00 0.00 C ATOM 488 C THR A 36 3.157 7.454 -3.597 1.00 0.00 C ATOM 489 O THR A 36 3.372 6.761 -4.591 1.00 0.00 O ATOM 490 CB THR A 36 5.390 8.491 -3.191 1.00 0.00 C ATOM 491 OG1 THR A 36 6.414 8.738 -2.221 1.00 0.00 O ATOM 492 CG2 THR A 36 4.877 9.813 -3.743 1.00 0.00 C ATOM 0 H THR A 36 5.455 5.972 -2.563 1.00 0.00 H new ATOM 0 HA THR A 36 3.830 8.250 -1.719 1.00 0.00 H new ATOM 0 HB THR A 36 5.803 7.908 -4.014 1.00 0.00 H new ATOM 0 HG1 THR A 36 7.140 9.251 -2.635 1.00 0.00 H new ATOM 0 HG21 THR A 36 5.704 10.367 -4.189 1.00 0.00 H new ATOM 0 HG22 THR A 36 4.118 9.621 -4.502 1.00 0.00 H new ATOM 0 HG23 THR A 36 4.441 10.400 -2.935 1.00 0.00 H new ATOM 500 N VAL A 37 1.987 8.041 -3.365 1.00 0.00 N ATOM 501 CA VAL A 37 0.866 7.903 -4.286 1.00 0.00 C ATOM 502 C VAL A 37 0.895 8.990 -5.355 1.00 0.00 C ATOM 503 O VAL A 37 0.690 10.169 -5.063 1.00 0.00 O ATOM 504 CB VAL A 37 -0.482 7.965 -3.543 1.00 0.00 C ATOM 505 CG1 VAL A 37 -1.639 7.845 -4.524 1.00 0.00 C ATOM 506 CG2 VAL A 37 -0.556 6.876 -2.484 1.00 0.00 C ATOM 0 H VAL A 37 1.791 8.617 -2.546 1.00 0.00 H new ATOM 0 HA VAL A 37 0.966 6.927 -4.762 1.00 0.00 H new ATOM 0 HB VAL A 37 -0.558 8.931 -3.045 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -2.583 7.891 -3.981 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -1.594 8.664 -5.242 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -1.571 6.894 -5.053 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -1.515 6.934 -1.969 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -0.458 5.900 -2.959 1.00 0.00 H new ATOM 0 HG23 VAL A 37 0.251 7.013 -1.765 1.00 0.00 H new ATOM 516 N THR A 38 1.151 8.586 -6.595 1.00 0.00 N ATOM 517 CA THR A 38 1.208 9.525 -7.708 1.00 0.00 C ATOM 518 C THR A 38 -0.091 9.512 -8.506 1.00 0.00 C ATOM 519 O THR A 38 -0.673 10.561 -8.780 1.00 0.00 O ATOM 520 CB THR A 38 2.381 9.205 -8.654 1.00 0.00 C ATOM 521 OG1 THR A 38 2.283 7.853 -9.116 1.00 0.00 O ATOM 522 CG2 THR A 38 3.714 9.412 -7.951 1.00 0.00 C ATOM 0 H THR A 38 1.322 7.614 -6.854 1.00 0.00 H new ATOM 0 HA THR A 38 1.357 10.515 -7.278 1.00 0.00 H new ATOM 0 HB THR A 38 2.329 9.883 -9.506 1.00 0.00 H new ATOM 0 HG1 THR A 38 1.815 7.312 -8.446 1.00 0.00 H new ATOM 0 HG21 THR A 38 4.528 9.180 -8.638 1.00 0.00 H new ATOM 0 HG22 THR A 38 3.797 10.449 -7.627 1.00 0.00 H new ATOM 0 HG23 THR A 38 3.774 8.755 -7.083 1.00 0.00 H new ATOM 530 N ASN A 39 -0.541 8.317 -8.875 1.00 0.00 N ATOM 531 CA ASN A 39 -1.773 8.168 -9.641 1.00 0.00 C ATOM 532 C ASN A 39 -2.862 7.510 -8.799 1.00 0.00 C ATOM 533 O ASN A 39 -3.113 6.309 -8.892 1.00 0.00 O ATOM 534 CB ASN A 39 -1.517 7.338 -10.901 1.00 0.00 C ATOM 535 CG ASN A 39 -2.459 7.699 -12.033 1.00 0.00 C ATOM 536 OD1 ASN A 39 -2.980 8.813 -12.090 1.00 0.00 O ATOM 537 ND2 ASN A 39 -2.683 6.756 -12.941 1.00 0.00 N ATOM 0 H ASN A 39 -0.071 7.438 -8.656 1.00 0.00 H new ATOM 0 HA ASN A 39 -2.113 9.162 -9.931 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -0.488 7.486 -11.227 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -1.627 6.280 -10.664 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -3.308 6.941 -13.725 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -2.230 5.846 -12.854 1.00 0.00 H new ATOM 544 N PRO A 40 -3.526 8.316 -7.957 1.00 0.00 N ATOM 545 CA PRO A 40 -4.599 7.835 -7.082 1.00 0.00 C ATOM 546 C PRO A 40 -5.854 7.453 -7.860 1.00 0.00 C ATOM 547 O PRO A 40 -6.734 6.770 -7.339 1.00 0.00 O ATOM 548 CB PRO A 40 -4.879 9.034 -6.172 1.00 0.00 C ATOM 549 CG PRO A 40 -4.445 10.220 -6.963 1.00 0.00 C ATOM 550 CD PRO A 40 -3.280 9.759 -7.794 1.00 0.00 C ATOM 0 HA PRO A 40 -4.312 6.932 -6.544 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -5.936 9.096 -5.913 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -4.326 8.958 -5.236 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -5.255 10.585 -7.595 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -4.156 11.042 -6.308 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -3.245 10.272 -8.755 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -2.330 9.951 -7.295 1.00 0.00 H new ATOM 558 N ASN A 41 -5.927 7.898 -9.111 1.00 0.00 N ATOM 559 CA ASN A 41 -7.075 7.602 -9.961 1.00 0.00 C ATOM 560 C ASN A 41 -6.627 6.996 -11.288 1.00 0.00 C ATOM 561 O ASN A 41 -6.349 7.715 -12.248 1.00 0.00 O ATOM 562 CB ASN A 41 -7.888 8.872 -10.216 1.00 0.00 C ATOM 563 CG ASN A 41 -9.359 8.581 -10.444 1.00 0.00 C ATOM 564 OD1 ASN A 41 -9.714 7.661 -11.181 1.00 0.00 O ATOM 565 ND2 ASN A 41 -10.222 9.367 -9.812 1.00 0.00 N ATOM 0 H ASN A 41 -5.206 8.464 -9.558 1.00 0.00 H new ATOM 0 HA ASN A 41 -7.702 6.876 -9.443 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -7.781 9.545 -9.366 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -7.484 9.390 -11.086 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -11.225 9.220 -9.928 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -9.882 10.118 -9.211 1.00 0.00 H new ATOM 572 N VAL A 42 -6.560 5.669 -11.334 1.00 0.00 N ATOM 573 CA VAL A 42 -6.148 4.966 -12.543 1.00 0.00 C ATOM 574 C VAL A 42 -7.356 4.510 -13.352 1.00 0.00 C ATOM 575 O VAL A 42 -7.455 4.783 -14.548 1.00 0.00 O ATOM 576 CB VAL A 42 -5.275 3.742 -12.210 1.00 0.00 C ATOM 577 CG1 VAL A 42 -4.717 3.122 -13.482 1.00 0.00 C ATOM 578 CG2 VAL A 42 -4.152 4.131 -11.260 1.00 0.00 C ATOM 0 H VAL A 42 -6.786 5.059 -10.548 1.00 0.00 H new ATOM 0 HA VAL A 42 -5.563 5.670 -13.135 1.00 0.00 H new ATOM 0 HB VAL A 42 -5.898 2.998 -11.714 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -4.103 2.259 -13.227 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -5.539 2.805 -14.124 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -4.108 3.857 -14.009 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -3.545 3.254 -11.035 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -3.529 4.894 -11.727 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -4.577 4.524 -10.336 1.00 0.00 H new ATOM 588 N GLY A 43 -8.275 3.813 -12.691 1.00 0.00 N ATOM 589 CA GLY A 43 -9.467 3.330 -13.365 1.00 0.00 C ATOM 590 C GLY A 43 -9.861 1.936 -12.917 1.00 0.00 C ATOM 591 O GLY A 43 -9.113 0.979 -13.110 1.00 0.00 O ATOM 0 H GLY A 43 -8.216 3.574 -11.701 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -10.292 4.016 -13.174 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -9.296 3.328 -14.442 1.00 0.00 H new ATOM 595 N GLY A 44 -11.041 1.822 -12.315 1.00 0.00 N ATOM 596 CA GLY A 44 -11.513 0.532 -11.846 1.00 0.00 C ATOM 597 C GLY A 44 -11.312 0.349 -10.355 1.00 0.00 C ATOM 598 O GLY A 44 -12.214 -0.103 -9.650 1.00 0.00 O ATOM 0 H GLY A 44 -11.678 2.600 -12.144 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -12.572 0.428 -12.082 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -10.988 -0.260 -12.380 1.00 0.00 H new ATOM 602 N GLY A 45 -10.124 0.700 -9.871 1.00 0.00 N ATOM 603 CA GLY A 45 -9.828 0.562 -8.457 1.00 0.00 C ATOM 604 C GLY A 45 -8.356 0.311 -8.194 1.00 0.00 C ATOM 605 O GLY A 45 -8.001 -0.467 -7.309 1.00 0.00 O ATOM 0 H GLY A 45 -9.361 1.078 -10.433 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -10.138 1.467 -7.934 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -10.413 -0.260 -8.045 1.00 0.00 H new ATOM 609 N TRP A 46 -7.499 0.970 -8.965 1.00 0.00 N ATOM 610 CA TRP A 46 -6.057 0.813 -8.812 1.00 0.00 C ATOM 611 C TRP A 46 -5.368 2.170 -8.724 1.00 0.00 C ATOM 612 O TRP A 46 -5.903 3.180 -9.183 1.00 0.00 O ATOM 613 CB TRP A 46 -5.484 0.011 -9.981 1.00 0.00 C ATOM 614 CG TRP A 46 -6.068 -1.364 -10.102 1.00 0.00 C ATOM 615 CD1 TRP A 46 -7.374 -1.681 -10.348 1.00 0.00 C ATOM 616 CD2 TRP A 46 -5.368 -2.606 -9.980 1.00 0.00 C ATOM 617 NE1 TRP A 46 -7.527 -3.046 -10.386 1.00 0.00 N ATOM 618 CE2 TRP A 46 -6.311 -3.636 -10.165 1.00 0.00 C ATOM 619 CE3 TRP A 46 -4.035 -2.950 -9.736 1.00 0.00 C ATOM 620 CZ2 TRP A 46 -5.962 -4.983 -10.110 1.00 0.00 C ATOM 621 CZ3 TRP A 46 -3.691 -4.287 -9.682 1.00 0.00 C ATOM 622 CH2 TRP A 46 -4.651 -5.290 -9.869 1.00 0.00 C ATOM 0 H TRP A 46 -7.777 1.618 -9.702 1.00 0.00 H new ATOM 0 HA TRP A 46 -5.872 0.272 -7.884 1.00 0.00 H new ATOM 0 HB2 TRP A 46 -5.662 0.556 -10.908 1.00 0.00 H new ATOM 0 HB3 TRP A 46 -4.404 -0.070 -9.861 1.00 0.00 H new ATOM 0 HD1 TRP A 46 -8.169 -0.964 -10.491 1.00 0.00 H new ATOM 0 HE1 TRP A 46 -8.404 -3.540 -10.552 1.00 0.00 H new ATOM 0 HE3 TRP A 46 -3.287 -2.184 -9.592 1.00 0.00 H new ATOM 0 HZ2 TRP A 46 -6.700 -5.758 -10.253 1.00 0.00 H new ATOM 0 HZ3 TRP A 46 -2.664 -4.564 -9.492 1.00 0.00 H new ATOM 0 HH2 TRP A 46 -4.350 -6.326 -9.822 1.00 0.00 H new ATOM 633 N LEU A 47 -4.179 2.188 -8.132 1.00 0.00 N ATOM 634 CA LEU A 47 -3.416 3.423 -7.984 1.00 0.00 C ATOM 635 C LEU A 47 -1.949 3.202 -8.338 1.00 0.00 C ATOM 636 O LEU A 47 -1.420 2.103 -8.175 1.00 0.00 O ATOM 637 CB LEU A 47 -3.533 3.949 -6.552 1.00 0.00 C ATOM 638 CG LEU A 47 -3.070 2.999 -5.447 1.00 0.00 C ATOM 639 CD1 LEU A 47 -1.557 3.043 -5.305 1.00 0.00 C ATOM 640 CD2 LEU A 47 -3.742 3.348 -4.128 1.00 0.00 C ATOM 0 H LEU A 47 -3.722 1.362 -7.747 1.00 0.00 H new ATOM 0 HA LEU A 47 -3.829 4.161 -8.671 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -2.956 4.870 -6.477 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -4.575 4.210 -6.366 1.00 0.00 H new ATOM 0 HG LEU A 47 -3.359 1.984 -5.721 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -1.246 2.361 -4.514 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -1.094 2.743 -6.245 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -1.244 4.057 -5.054 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -3.401 2.662 -3.353 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -3.484 4.369 -3.847 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -4.823 3.264 -4.237 1.00 0.00 H new ATOM 652 N GLU A 48 -1.298 4.255 -8.822 1.00 0.00 N ATOM 653 CA GLU A 48 0.109 4.175 -9.197 1.00 0.00 C ATOM 654 C GLU A 48 0.992 4.837 -8.143 1.00 0.00 C ATOM 655 O GLU A 48 0.797 6.001 -7.796 1.00 0.00 O ATOM 656 CB GLU A 48 0.335 4.840 -10.557 1.00 0.00 C ATOM 657 CG GLU A 48 1.613 4.393 -11.248 1.00 0.00 C ATOM 658 CD GLU A 48 1.763 4.985 -12.636 1.00 0.00 C ATOM 659 OE1 GLU A 48 1.671 6.223 -12.767 1.00 0.00 O ATOM 660 OE2 GLU A 48 1.972 4.208 -13.592 1.00 0.00 O ATOM 0 H GLU A 48 -1.722 5.172 -8.963 1.00 0.00 H new ATOM 0 HA GLU A 48 0.381 3.122 -9.265 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -0.514 4.621 -11.205 1.00 0.00 H new ATOM 0 HB3 GLU A 48 0.363 5.921 -10.423 1.00 0.00 H new ATOM 0 HG2 GLU A 48 2.470 4.681 -10.640 1.00 0.00 H new ATOM 0 HG3 GLU A 48 1.623 3.305 -11.318 1.00 0.00 H new ATOM 667 N GLY A 49 1.964 4.084 -7.637 1.00 0.00 N ATOM 668 CA GLY A 49 2.862 4.613 -6.627 1.00 0.00 C ATOM 669 C GLY A 49 4.312 4.267 -6.902 1.00 0.00 C ATOM 670 O GLY A 49 4.605 3.356 -7.677 1.00 0.00 O ATOM 0 H GLY A 49 2.146 3.118 -7.908 1.00 0.00 H new ATOM 0 HA2 GLY A 49 2.753 5.696 -6.580 1.00 0.00 H new ATOM 0 HA3 GLY A 49 2.577 4.221 -5.651 1.00 0.00 H new ATOM 674 N LYS A 50 5.224 4.996 -6.267 1.00 0.00 N ATOM 675 CA LYS A 50 6.652 4.763 -6.447 1.00 0.00 C ATOM 676 C LYS A 50 7.331 4.488 -5.109 1.00 0.00 C ATOM 677 O LYS A 50 7.139 5.223 -4.142 1.00 0.00 O ATOM 678 CB LYS A 50 7.305 5.971 -7.124 1.00 0.00 C ATOM 679 CG LYS A 50 8.787 5.785 -7.399 1.00 0.00 C ATOM 680 CD LYS A 50 9.319 6.856 -8.337 1.00 0.00 C ATOM 681 CE LYS A 50 8.937 6.570 -9.782 1.00 0.00 C ATOM 682 NZ LYS A 50 9.608 7.504 -10.728 1.00 0.00 N ATOM 0 H LYS A 50 4.999 5.754 -5.623 1.00 0.00 H new ATOM 0 HA LYS A 50 6.775 3.887 -7.084 1.00 0.00 H new ATOM 0 HB2 LYS A 50 6.792 6.172 -8.064 1.00 0.00 H new ATOM 0 HB3 LYS A 50 7.168 6.849 -6.493 1.00 0.00 H new ATOM 0 HG2 LYS A 50 9.339 5.816 -6.460 1.00 0.00 H new ATOM 0 HG3 LYS A 50 8.956 4.801 -7.836 1.00 0.00 H new ATOM 0 HD2 LYS A 50 8.926 7.829 -8.041 1.00 0.00 H new ATOM 0 HD3 LYS A 50 10.404 6.911 -8.250 1.00 0.00 H new ATOM 0 HE2 LYS A 50 9.206 5.544 -10.033 1.00 0.00 H new ATOM 0 HE3 LYS A 50 7.856 6.653 -9.895 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 9.322 7.277 -11.702 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 9.332 8.482 -10.505 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 10.640 7.407 -10.639 1.00 0.00 H new ATOM 696 N ASN A 51 8.127 3.424 -5.063 1.00 0.00 N ATOM 697 CA ASN A 51 8.835 3.053 -3.843 1.00 0.00 C ATOM 698 C ASN A 51 10.133 3.843 -3.706 1.00 0.00 C ATOM 699 O ASN A 51 10.509 4.599 -4.601 1.00 0.00 O ATOM 700 CB ASN A 51 9.136 1.553 -3.840 1.00 0.00 C ATOM 701 CG ASN A 51 10.198 1.174 -4.854 1.00 0.00 C ATOM 702 OD1 ASN A 51 11.063 1.981 -5.194 1.00 0.00 O ATOM 703 ND2 ASN A 51 10.137 -0.060 -5.342 1.00 0.00 N ATOM 0 H ASN A 51 8.298 2.805 -5.855 1.00 0.00 H new ATOM 0 HA ASN A 51 8.194 3.290 -2.994 1.00 0.00 H new ATOM 0 HB2 ASN A 51 9.464 1.253 -2.845 1.00 0.00 H new ATOM 0 HB3 ASN A 51 8.221 1.001 -4.053 1.00 0.00 H new ATOM 0 HD21 ASN A 51 10.825 -0.372 -6.027 1.00 0.00 H new ATOM 0 HD22 ASN A 51 9.402 -0.696 -5.031 1.00 0.00 H new ATOM 710 N ASN A 52 10.813 3.662 -2.578 1.00 0.00 N ATOM 711 CA ASN A 52 12.069 4.358 -2.323 1.00 0.00 C ATOM 712 C ASN A 52 13.056 4.134 -3.465 1.00 0.00 C ATOM 713 O ASN A 52 13.649 5.081 -3.983 1.00 0.00 O ATOM 714 CB ASN A 52 12.681 3.883 -1.004 1.00 0.00 C ATOM 715 CG ASN A 52 11.703 3.972 0.152 1.00 0.00 C ATOM 716 OD1 ASN A 52 10.878 3.080 0.351 1.00 0.00 O ATOM 717 ND2 ASN A 52 11.792 5.051 0.920 1.00 0.00 N ATOM 0 H ASN A 52 10.515 3.040 -1.827 1.00 0.00 H new ATOM 0 HA ASN A 52 11.857 5.425 -2.253 1.00 0.00 H new ATOM 0 HB2 ASN A 52 13.018 2.852 -1.113 1.00 0.00 H new ATOM 0 HB3 ASN A 52 13.562 4.484 -0.778 1.00 0.00 H new ATOM 0 HD21 ASN A 52 11.161 5.166 1.713 1.00 0.00 H new ATOM 0 HD22 ASN A 52 12.492 5.765 0.717 1.00 0.00 H new ATOM 724 N LYS A 53 13.229 2.875 -3.852 1.00 0.00 N ATOM 725 CA LYS A 53 14.142 2.525 -4.933 1.00 0.00 C ATOM 726 C LYS A 53 13.860 3.362 -6.177 1.00 0.00 C ATOM 727 O LYS A 53 14.742 3.575 -7.007 1.00 0.00 O ATOM 728 CB LYS A 53 14.021 1.037 -5.269 1.00 0.00 C ATOM 729 CG LYS A 53 14.192 0.126 -4.065 1.00 0.00 C ATOM 730 CD LYS A 53 15.647 -0.262 -3.862 1.00 0.00 C ATOM 731 CE LYS A 53 16.364 0.720 -2.949 1.00 0.00 C ATOM 732 NZ LYS A 53 16.272 0.318 -1.519 1.00 0.00 N ATOM 0 H LYS A 53 12.748 2.079 -3.432 1.00 0.00 H new ATOM 0 HA LYS A 53 15.158 2.735 -4.598 1.00 0.00 H new ATOM 0 HB2 LYS A 53 13.045 0.853 -5.718 1.00 0.00 H new ATOM 0 HB3 LYS A 53 14.770 0.780 -6.018 1.00 0.00 H new ATOM 0 HG2 LYS A 53 13.820 0.628 -3.172 1.00 0.00 H new ATOM 0 HG3 LYS A 53 13.590 -0.773 -4.199 1.00 0.00 H new ATOM 0 HD2 LYS A 53 15.701 -1.263 -3.435 1.00 0.00 H new ATOM 0 HD3 LYS A 53 16.153 -0.299 -4.827 1.00 0.00 H new ATOM 0 HE2 LYS A 53 17.412 0.787 -3.240 1.00 0.00 H new ATOM 0 HE3 LYS A 53 15.934 1.713 -3.075 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 16.773 1.013 -0.930 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 15.273 0.278 -1.233 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 16.706 -0.619 -1.393 1.00 0.00 H new ATOM 746 N GLY A 54 12.623 3.836 -6.298 1.00 0.00 N ATOM 747 CA GLY A 54 12.248 4.645 -7.442 1.00 0.00 C ATOM 748 C GLY A 54 11.480 3.856 -8.484 1.00 0.00 C ATOM 749 O GLY A 54 11.327 4.302 -9.620 1.00 0.00 O ATOM 0 H GLY A 54 11.875 3.674 -5.624 1.00 0.00 H new ATOM 0 HA2 GLY A 54 11.640 5.485 -7.106 1.00 0.00 H new ATOM 0 HA3 GLY A 54 13.146 5.064 -7.897 1.00 0.00 H new ATOM 753 N GLU A 55 10.997 2.680 -8.096 1.00 0.00 N ATOM 754 CA GLU A 55 10.244 1.826 -9.006 1.00 0.00 C ATOM 755 C GLU A 55 8.746 2.091 -8.885 1.00 0.00 C ATOM 756 O GLU A 55 8.193 2.096 -7.786 1.00 0.00 O ATOM 757 CB GLU A 55 10.537 0.352 -8.719 1.00 0.00 C ATOM 758 CG GLU A 55 12.018 0.015 -8.716 1.00 0.00 C ATOM 759 CD GLU A 55 12.595 -0.090 -10.115 1.00 0.00 C ATOM 760 OE1 GLU A 55 11.831 -0.406 -11.050 1.00 0.00 O ATOM 761 OE2 GLU A 55 13.812 0.145 -10.273 1.00 0.00 O ATOM 0 H GLU A 55 11.114 2.297 -7.158 1.00 0.00 H new ATOM 0 HA GLU A 55 10.556 2.059 -10.024 1.00 0.00 H new ATOM 0 HB2 GLU A 55 10.111 0.087 -7.751 1.00 0.00 H new ATOM 0 HB3 GLU A 55 10.035 -0.262 -9.467 1.00 0.00 H new ATOM 0 HG2 GLU A 55 12.560 0.780 -8.160 1.00 0.00 H new ATOM 0 HG3 GLU A 55 12.171 -0.928 -8.192 1.00 0.00 H new ATOM 768 N GLN A 56 8.096 2.310 -10.024 1.00 0.00 N ATOM 769 CA GLN A 56 6.663 2.577 -10.046 1.00 0.00 C ATOM 770 C GLN A 56 5.896 1.388 -10.616 1.00 0.00 C ATOM 771 O GLN A 56 6.431 0.614 -11.409 1.00 0.00 O ATOM 772 CB GLN A 56 6.369 3.832 -10.870 1.00 0.00 C ATOM 773 CG GLN A 56 5.130 4.584 -10.412 1.00 0.00 C ATOM 774 CD GLN A 56 4.820 5.785 -11.285 1.00 0.00 C ATOM 775 OE1 GLN A 56 4.417 5.640 -12.439 1.00 0.00 O ATOM 776 NE2 GLN A 56 5.007 6.979 -10.736 1.00 0.00 N ATOM 0 H GLN A 56 8.539 2.308 -10.943 1.00 0.00 H new ATOM 0 HA GLN A 56 6.334 2.740 -9.020 1.00 0.00 H new ATOM 0 HB2 GLN A 56 7.229 4.500 -10.819 1.00 0.00 H new ATOM 0 HB3 GLN A 56 6.247 3.550 -11.916 1.00 0.00 H new ATOM 0 HG2 GLN A 56 4.276 3.906 -10.416 1.00 0.00 H new ATOM 0 HG3 GLN A 56 5.270 4.914 -9.383 1.00 0.00 H new ATOM 0 HE21 GLN A 56 5.343 7.052 -9.776 1.00 0.00 H new ATOM 0 HE22 GLN A 56 4.815 7.824 -11.275 1.00 0.00 H new ATOM 785 N GLY A 57 4.639 1.249 -10.206 1.00 0.00 N ATOM 786 CA GLY A 57 3.819 0.152 -10.686 1.00 0.00 C ATOM 787 C GLY A 57 2.369 0.285 -10.268 1.00 0.00 C ATOM 788 O GLY A 57 2.013 1.194 -9.516 1.00 0.00 O ATOM 0 H GLY A 57 4.174 1.876 -9.550 1.00 0.00 H new ATOM 0 HA2 GLY A 57 3.878 0.108 -11.774 1.00 0.00 H new ATOM 0 HA3 GLY A 57 4.218 -0.789 -10.307 1.00 0.00 H new ATOM 792 N LEU A 58 1.528 -0.620 -10.755 1.00 0.00 N ATOM 793 CA LEU A 58 0.106 -0.599 -10.429 1.00 0.00 C ATOM 794 C LEU A 58 -0.168 -1.367 -9.140 1.00 0.00 C ATOM 795 O LEU A 58 0.373 -2.452 -8.924 1.00 0.00 O ATOM 796 CB LEU A 58 -0.710 -1.198 -11.576 1.00 0.00 C ATOM 797 CG LEU A 58 -0.836 -0.334 -12.831 1.00 0.00 C ATOM 798 CD1 LEU A 58 -1.572 -1.090 -13.927 1.00 0.00 C ATOM 799 CD2 LEU A 58 -1.549 0.972 -12.511 1.00 0.00 C ATOM 0 H LEU A 58 1.806 -1.378 -11.378 1.00 0.00 H new ATOM 0 HA LEU A 58 -0.193 0.439 -10.283 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -0.259 -2.150 -11.858 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -1.712 -1.417 -11.207 1.00 0.00 H new ATOM 0 HG LEU A 58 0.166 -0.099 -13.189 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -1.652 -0.460 -14.813 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -1.021 -1.997 -14.176 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -2.570 -1.355 -13.579 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -1.629 1.574 -13.416 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -2.547 0.757 -12.128 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -0.982 1.521 -11.759 1.00 0.00 H new ATOM 811 N VAL A 59 -1.013 -0.798 -8.286 1.00 0.00 N ATOM 812 CA VAL A 59 -1.363 -1.431 -7.020 1.00 0.00 C ATOM 813 C VAL A 59 -2.843 -1.250 -6.705 1.00 0.00 C ATOM 814 O VAL A 59 -3.422 -0.183 -6.912 1.00 0.00 O ATOM 815 CB VAL A 59 -0.529 -0.858 -5.858 1.00 0.00 C ATOM 816 CG1 VAL A 59 -0.966 -1.469 -4.535 1.00 0.00 C ATOM 817 CG2 VAL A 59 0.954 -1.096 -6.100 1.00 0.00 C ATOM 0 H VAL A 59 -1.468 0.100 -8.448 1.00 0.00 H new ATOM 0 HA VAL A 59 -1.145 -2.494 -7.126 1.00 0.00 H new ATOM 0 HB VAL A 59 -0.698 0.218 -5.808 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -0.366 -1.052 -3.726 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -2.018 -1.243 -4.360 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -0.828 -2.550 -4.570 1.00 0.00 H new ATOM 0 HG21 VAL A 59 1.529 -0.685 -5.270 1.00 0.00 H new ATOM 0 HG22 VAL A 59 1.143 -2.167 -6.177 1.00 0.00 H new ATOM 0 HG23 VAL A 59 1.255 -0.607 -7.027 1.00 0.00 H new ATOM 827 N PRO A 60 -3.474 -2.317 -6.193 1.00 0.00 N ATOM 828 CA PRO A 60 -4.896 -2.302 -5.837 1.00 0.00 C ATOM 829 C PRO A 60 -5.179 -1.427 -4.621 1.00 0.00 C ATOM 830 O PRO A 60 -4.447 -1.463 -3.632 1.00 0.00 O ATOM 831 CB PRO A 60 -5.199 -3.769 -5.523 1.00 0.00 C ATOM 832 CG PRO A 60 -3.888 -4.348 -5.115 1.00 0.00 C ATOM 833 CD PRO A 60 -2.846 -3.621 -5.920 1.00 0.00 C ATOM 0 HA PRO A 60 -5.512 -1.887 -6.635 1.00 0.00 H new ATOM 0 HB2 PRO A 60 -5.937 -3.859 -4.726 1.00 0.00 H new ATOM 0 HB3 PRO A 60 -5.606 -4.284 -6.393 1.00 0.00 H new ATOM 0 HG2 PRO A 60 -3.718 -4.215 -4.046 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -3.856 -5.420 -5.312 1.00 0.00 H new ATOM 0 HD2 PRO A 60 -1.915 -3.510 -5.365 1.00 0.00 H new ATOM 0 HD3 PRO A 60 -2.607 -4.152 -6.841 1.00 0.00 H new ATOM 841 N THR A 61 -6.248 -0.640 -4.700 1.00 0.00 N ATOM 842 CA THR A 61 -6.629 0.244 -3.606 1.00 0.00 C ATOM 843 C THR A 61 -7.295 -0.533 -2.476 1.00 0.00 C ATOM 844 O THR A 61 -7.567 0.016 -1.408 1.00 0.00 O ATOM 845 CB THR A 61 -7.586 1.352 -4.086 1.00 0.00 C ATOM 846 OG1 THR A 61 -8.808 0.773 -4.556 1.00 0.00 O ATOM 847 CG2 THR A 61 -6.948 2.175 -5.195 1.00 0.00 C ATOM 0 H THR A 61 -6.865 -0.597 -5.511 1.00 0.00 H new ATOM 0 HA THR A 61 -5.711 0.702 -3.236 1.00 0.00 H new ATOM 0 HB THR A 61 -7.797 2.010 -3.243 1.00 0.00 H new ATOM 0 HG1 THR A 61 -8.653 0.340 -5.421 1.00 0.00 H new ATOM 0 HG21 THR A 61 -7.642 2.951 -5.518 1.00 0.00 H new ATOM 0 HG22 THR A 61 -6.033 2.638 -4.824 1.00 0.00 H new ATOM 0 HG23 THR A 61 -6.711 1.527 -6.039 1.00 0.00 H new ATOM 855 N ASP A 62 -7.556 -1.813 -2.719 1.00 0.00 N ATOM 856 CA ASP A 62 -8.189 -2.667 -1.721 1.00 0.00 C ATOM 857 C ASP A 62 -7.159 -3.201 -0.730 1.00 0.00 C ATOM 858 O ASP A 62 -7.488 -3.516 0.414 1.00 0.00 O ATOM 859 CB ASP A 62 -8.913 -3.830 -2.399 1.00 0.00 C ATOM 860 CG ASP A 62 -7.974 -4.961 -2.769 1.00 0.00 C ATOM 861 OD1 ASP A 62 -7.468 -5.638 -1.848 1.00 0.00 O ATOM 862 OD2 ASP A 62 -7.744 -5.170 -3.978 1.00 0.00 O ATOM 0 H ASP A 62 -7.339 -2.282 -3.599 1.00 0.00 H new ATOM 0 HA ASP A 62 -8.916 -2.067 -1.174 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -9.688 -4.209 -1.733 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -9.413 -3.468 -3.298 1.00 0.00 H new ATOM 867 N TYR A 63 -5.912 -3.300 -1.177 1.00 0.00 N ATOM 868 CA TYR A 63 -4.835 -3.800 -0.331 1.00 0.00 C ATOM 869 C TYR A 63 -4.285 -2.692 0.562 1.00 0.00 C ATOM 870 O TYR A 63 -3.780 -2.952 1.654 1.00 0.00 O ATOM 871 CB TYR A 63 -3.711 -4.381 -1.191 1.00 0.00 C ATOM 872 CG TYR A 63 -3.976 -5.795 -1.658 1.00 0.00 C ATOM 873 CD1 TYR A 63 -4.879 -6.051 -2.682 1.00 0.00 C ATOM 874 CD2 TYR A 63 -3.323 -6.874 -1.075 1.00 0.00 C ATOM 875 CE1 TYR A 63 -5.125 -7.341 -3.111 1.00 0.00 C ATOM 876 CE2 TYR A 63 -3.561 -8.167 -1.499 1.00 0.00 C ATOM 877 CZ TYR A 63 -4.463 -8.395 -2.517 1.00 0.00 C ATOM 878 OH TYR A 63 -4.704 -9.682 -2.941 1.00 0.00 O ATOM 0 H TYR A 63 -5.622 -3.041 -2.120 1.00 0.00 H new ATOM 0 HA TYR A 63 -5.242 -4.587 0.305 1.00 0.00 H new ATOM 0 HB2 TYR A 63 -3.563 -3.742 -2.061 1.00 0.00 H new ATOM 0 HB3 TYR A 63 -2.782 -4.364 -0.621 1.00 0.00 H new ATOM 0 HD1 TYR A 63 -5.398 -5.228 -3.151 1.00 0.00 H new ATOM 0 HD2 TYR A 63 -2.617 -6.699 -0.277 1.00 0.00 H new ATOM 0 HE1 TYR A 63 -5.832 -7.523 -3.907 1.00 0.00 H new ATOM 0 HE2 TYR A 63 -3.044 -8.994 -1.036 1.00 0.00 H new ATOM 0 HH TYR A 63 -4.156 -10.306 -2.420 1.00 0.00 H new ATOM 888 N VAL A 64 -4.389 -1.454 0.090 1.00 0.00 N ATOM 889 CA VAL A 64 -3.905 -0.304 0.845 1.00 0.00 C ATOM 890 C VAL A 64 -5.013 0.721 1.056 1.00 0.00 C ATOM 891 O VAL A 64 -6.067 0.648 0.426 1.00 0.00 O ATOM 892 CB VAL A 64 -2.720 0.376 0.133 1.00 0.00 C ATOM 893 CG1 VAL A 64 -1.755 -0.666 -0.413 1.00 0.00 C ATOM 894 CG2 VAL A 64 -3.218 1.288 -0.978 1.00 0.00 C ATOM 0 H VAL A 64 -4.804 -1.221 -0.812 1.00 0.00 H new ATOM 0 HA VAL A 64 -3.572 -0.678 1.813 1.00 0.00 H new ATOM 0 HB VAL A 64 -2.184 0.986 0.860 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -0.925 -0.167 -0.912 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -1.373 -1.273 0.408 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -2.275 -1.306 -1.126 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -2.368 1.760 -1.470 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -3.779 0.702 -1.706 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -3.865 2.057 -0.555 1.00 0.00 H new ATOM 904 N GLU A 65 -4.766 1.677 1.946 1.00 0.00 N ATOM 905 CA GLU A 65 -5.744 2.718 2.240 1.00 0.00 C ATOM 906 C GLU A 65 -5.071 4.083 2.343 1.00 0.00 C ATOM 907 O GLU A 65 -4.188 4.290 3.177 1.00 0.00 O ATOM 908 CB GLU A 65 -6.483 2.401 3.542 1.00 0.00 C ATOM 909 CG GLU A 65 -7.215 3.595 4.132 1.00 0.00 C ATOM 910 CD GLU A 65 -8.436 3.988 3.324 1.00 0.00 C ATOM 911 OE1 GLU A 65 -9.521 3.425 3.576 1.00 0.00 O ATOM 912 OE2 GLU A 65 -8.305 4.860 2.440 1.00 0.00 O ATOM 0 H GLU A 65 -3.898 1.752 2.476 1.00 0.00 H new ATOM 0 HA GLU A 65 -6.463 2.748 1.421 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -7.200 1.601 3.358 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -5.768 2.026 4.274 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -7.519 3.362 5.153 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -6.533 4.443 4.188 1.00 0.00 H new ATOM 919 N ILE A 66 -5.494 5.011 1.491 1.00 0.00 N ATOM 920 CA ILE A 66 -4.933 6.356 1.487 1.00 0.00 C ATOM 921 C ILE A 66 -5.230 7.080 2.796 1.00 0.00 C ATOM 922 O ILE A 66 -6.362 7.068 3.282 1.00 0.00 O ATOM 923 CB ILE A 66 -5.483 7.191 0.315 1.00 0.00 C ATOM 924 CG1 ILE A 66 -5.128 6.533 -1.020 1.00 0.00 C ATOM 925 CG2 ILE A 66 -4.938 8.610 0.375 1.00 0.00 C ATOM 926 CD1 ILE A 66 -5.466 7.386 -2.223 1.00 0.00 C ATOM 0 H ILE A 66 -6.223 4.856 0.795 1.00 0.00 H new ATOM 0 HA ILE A 66 -3.855 6.248 1.372 1.00 0.00 H new ATOM 0 HB ILE A 66 -6.569 7.236 0.398 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -4.062 6.308 -1.033 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -5.656 5.582 -1.099 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -5.335 9.188 -0.459 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -5.237 9.075 1.314 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -3.850 8.585 0.313 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -5.187 6.857 -3.134 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -6.537 7.590 -2.235 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -4.918 8.327 -2.168 1.00 0.00 H new ATOM 938 N LEU A 67 -4.208 7.711 3.361 1.00 0.00 N ATOM 939 CA LEU A 67 -4.359 8.443 4.614 1.00 0.00 C ATOM 940 C LEU A 67 -4.624 9.922 4.352 1.00 0.00 C ATOM 941 O LEU A 67 -4.115 10.510 3.397 1.00 0.00 O ATOM 942 CB LEU A 67 -3.105 8.283 5.475 1.00 0.00 C ATOM 943 CG LEU A 67 -2.604 6.852 5.673 1.00 0.00 C ATOM 944 CD1 LEU A 67 -1.221 6.853 6.306 1.00 0.00 C ATOM 945 CD2 LEU A 67 -3.582 6.058 6.527 1.00 0.00 C ATOM 0 H LEU A 67 -3.265 7.731 2.972 1.00 0.00 H new ATOM 0 HA LEU A 67 -5.214 8.028 5.148 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -2.303 8.868 5.025 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -3.304 8.716 6.455 1.00 0.00 H new ATOM 0 HG LEU A 67 -2.534 6.374 4.696 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -0.881 5.826 6.439 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -0.524 7.385 5.658 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -1.265 7.349 7.276 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -3.209 5.042 6.658 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -3.684 6.535 7.502 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -4.554 6.028 6.034 1.00 0.00 H new ATOM 957 N PRO A 68 -5.439 10.540 5.220 1.00 0.00 N ATOM 958 CA PRO A 68 -5.789 11.959 5.105 1.00 0.00 C ATOM 959 C PRO A 68 -4.608 12.874 5.411 1.00 0.00 C ATOM 960 O PRO A 68 -3.514 12.406 5.724 1.00 0.00 O ATOM 961 CB PRO A 68 -6.890 12.139 6.152 1.00 0.00 C ATOM 962 CG PRO A 68 -6.641 11.064 7.153 1.00 0.00 C ATOM 963 CD PRO A 68 -6.081 9.901 6.381 1.00 0.00 C ATOM 0 HA PRO A 68 -6.097 12.222 4.093 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -6.842 13.126 6.611 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -7.880 12.043 5.706 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -5.940 11.398 7.918 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -7.563 10.786 7.664 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -5.365 9.333 6.974 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -6.864 9.207 6.076 1.00 0.00 H new