USER MOD reduce.3.24.130724 H: found=0, std=0, add=336, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 337 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 371 ASN : amide:sc= 0 X(o=0,f=-0.18) USER MOD Set 1.2: A 375 MET CE :methyl -152:sc= 0 (180deg=0) USER MOD Set 2.1: A 350 MET CE :methyl -108:sc= -0.205 (180deg=0) USER MOD Set 2.2: A 364 LYS NZ :NH3+ 146:sc= -0.108 (180deg=0) USER MOD Single : A 349 SER OG : rot 168:sc= 0.527 USER MOD Single : A 355 THR OG1 : rot 180:sc= -0.675! USER MOD Single : A 357 THR OG1 : rot 180:sc= 0.019 USER MOD Single : A 361 MET CE :methyl -140:sc= -0.289 (180deg=-1.75!) USER MOD Single : A 363 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 368 GLN : amide:sc= 0 X(o=0,f=-0.0098) USER MOD Single : A 372 THR OG1 : rot 180:sc= 0 USER MOD Single : A 380 ASN : amide:sc= -0.366 K(o=-0.37,f=-2.7!) USER MOD Single : A 381 THR OG1 : rot 63:sc= -0.445 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 345 -2.083 8.339 4.762 1.00 0.00 N ATOM 2 CA GLY A 345 -3.007 9.492 4.968 1.00 0.00 C ATOM 3 C GLY A 345 -4.181 9.054 5.837 1.00 0.00 C ATOM 4 O GLY A 345 -4.050 8.912 7.052 1.00 0.00 O ATOM 0 HA2 GLY A 345 -2.476 10.317 5.444 1.00 0.00 H new ATOM 0 HA3 GLY A 345 -3.369 9.858 4.007 1.00 0.00 H new ATOM 8 N PRO A 346 -5.318 8.842 5.233 1.00 0.00 N ATOM 9 CA PRO A 346 -6.549 8.412 5.955 1.00 0.00 C ATOM 10 C PRO A 346 -6.279 7.250 6.909 1.00 0.00 C ATOM 11 O PRO A 346 -6.691 7.279 8.069 1.00 0.00 O ATOM 12 CB PRO A 346 -7.499 7.988 4.833 1.00 0.00 C ATOM 13 CG PRO A 346 -7.052 8.746 3.626 1.00 0.00 C ATOM 14 CD PRO A 346 -5.553 8.992 3.788 1.00 0.00 C ATOM 0 HA PRO A 346 -6.953 9.206 6.583 1.00 0.00 H new ATOM 0 HB2 PRO A 346 -7.450 6.913 4.662 1.00 0.00 H new ATOM 0 HB3 PRO A 346 -8.533 8.224 5.084 1.00 0.00 H new ATOM 0 HG2 PRO A 346 -7.255 8.179 2.717 1.00 0.00 H new ATOM 0 HG3 PRO A 346 -7.591 9.689 3.541 1.00 0.00 H new ATOM 0 HD2 PRO A 346 -4.967 8.275 3.212 1.00 0.00 H new ATOM 0 HD3 PRO A 346 -5.272 9.986 3.440 1.00 0.00 H new ATOM 22 N LEU A 347 -5.586 6.231 6.412 1.00 0.00 N ATOM 23 CA LEU A 347 -5.267 5.067 7.229 1.00 0.00 C ATOM 24 C LEU A 347 -6.543 4.408 7.743 1.00 0.00 C ATOM 25 O LEU A 347 -7.433 5.079 8.265 1.00 0.00 O ATOM 26 CB LEU A 347 -4.392 5.482 8.412 1.00 0.00 C ATOM 27 CG LEU A 347 -2.920 5.261 8.062 1.00 0.00 C ATOM 28 CD1 LEU A 347 -2.036 5.916 9.125 1.00 0.00 C ATOM 29 CD2 LEU A 347 -2.629 3.759 8.015 1.00 0.00 C ATOM 0 H LEU A 347 -5.237 6.187 5.455 1.00 0.00 H new ATOM 0 HA LEU A 347 -4.725 4.351 6.611 1.00 0.00 H new ATOM 0 HB2 LEU A 347 -4.565 6.530 8.656 1.00 0.00 H new ATOM 0 HB3 LEU A 347 -4.658 4.901 9.295 1.00 0.00 H new ATOM 0 HG LEU A 347 -2.708 5.706 7.090 1.00 0.00 H new ATOM 0 HD11 LEU A 347 -0.987 5.758 8.874 1.00 0.00 H new ATOM 0 HD12 LEU A 347 -2.243 6.986 9.162 1.00 0.00 H new ATOM 0 HD13 LEU A 347 -2.247 5.472 10.098 1.00 0.00 H new ATOM 0 HD21 LEU A 347 -1.580 3.599 7.766 1.00 0.00 H new ATOM 0 HD22 LEU A 347 -2.842 3.316 8.988 1.00 0.00 H new ATOM 0 HD23 LEU A 347 -3.257 3.290 7.258 1.00 0.00 H new ATOM 41 N GLY A 348 -6.625 3.089 7.593 1.00 0.00 N ATOM 42 CA GLY A 348 -7.797 2.351 8.048 1.00 0.00 C ATOM 43 C GLY A 348 -8.828 2.225 6.931 1.00 0.00 C ATOM 44 O GLY A 348 -9.800 2.979 6.882 1.00 0.00 O ATOM 0 H GLY A 348 -5.900 2.514 7.164 1.00 0.00 H new ATOM 0 HA2 GLY A 348 -7.498 1.359 8.386 1.00 0.00 H new ATOM 0 HA3 GLY A 348 -8.242 2.859 8.904 1.00 0.00 H new ATOM 48 N SER A 349 -8.608 1.268 6.034 1.00 0.00 N ATOM 49 CA SER A 349 -9.526 1.054 4.921 1.00 0.00 C ATOM 50 C SER A 349 -9.270 -0.301 4.270 1.00 0.00 C ATOM 51 O SER A 349 -9.025 -1.294 4.956 1.00 0.00 O ATOM 52 CB SER A 349 -9.354 2.161 3.882 1.00 0.00 C ATOM 53 OG SER A 349 -8.128 1.970 3.189 1.00 0.00 O ATOM 0 H SER A 349 -7.809 0.634 6.055 1.00 0.00 H new ATOM 0 HA SER A 349 -10.545 1.073 5.306 1.00 0.00 H new ATOM 0 HB2 SER A 349 -10.187 2.149 3.180 1.00 0.00 H new ATOM 0 HB3 SER A 349 -9.362 3.136 4.369 1.00 0.00 H new ATOM 0 HG SER A 349 -8.106 2.548 2.398 1.00 0.00 H new ATOM 59 N MET A 350 -9.330 -0.336 2.943 1.00 0.00 N ATOM 60 CA MET A 350 -9.103 -1.576 2.210 1.00 0.00 C ATOM 61 C MET A 350 -10.189 -2.596 2.533 1.00 0.00 C ATOM 62 O MET A 350 -9.901 -3.763 2.798 1.00 0.00 O ATOM 63 CB MET A 350 -7.732 -2.152 2.570 1.00 0.00 C ATOM 64 CG MET A 350 -6.781 -1.992 1.384 1.00 0.00 C ATOM 65 SD MET A 350 -5.194 -1.345 1.966 1.00 0.00 S ATOM 66 CE MET A 350 -4.140 -2.259 0.813 1.00 0.00 C ATOM 0 H MET A 350 -9.532 0.474 2.357 1.00 0.00 H new ATOM 0 HA MET A 350 -9.134 -1.357 1.143 1.00 0.00 H new ATOM 0 HB2 MET A 350 -7.329 -1.640 3.444 1.00 0.00 H new ATOM 0 HB3 MET A 350 -7.827 -3.205 2.834 1.00 0.00 H new ATOM 0 HG2 MET A 350 -6.635 -2.952 0.889 1.00 0.00 H new ATOM 0 HG3 MET A 350 -7.213 -1.316 0.646 1.00 0.00 H new ATOM 0 HE1 MET A 350 -3.607 -3.043 1.351 1.00 0.00 H new ATOM 0 HE2 MET A 350 -4.757 -2.708 0.034 1.00 0.00 H new ATOM 0 HE3 MET A 350 -3.421 -1.577 0.358 1.00 0.00 H new ATOM 76 N PRO A 351 -11.423 -2.172 2.516 1.00 0.00 N ATOM 77 CA PRO A 351 -12.585 -3.058 2.813 1.00 0.00 C ATOM 78 C PRO A 351 -12.864 -4.040 1.677 1.00 0.00 C ATOM 79 O PRO A 351 -12.071 -4.168 0.745 1.00 0.00 O ATOM 80 CB PRO A 351 -13.750 -2.083 2.989 1.00 0.00 C ATOM 81 CG PRO A 351 -13.372 -0.867 2.208 1.00 0.00 C ATOM 82 CD PRO A 351 -11.844 -0.798 2.209 1.00 0.00 C ATOM 0 HA PRO A 351 -12.410 -3.682 3.690 1.00 0.00 H new ATOM 0 HB2 PRO A 351 -14.681 -2.513 2.620 1.00 0.00 H new ATOM 0 HB3 PRO A 351 -13.905 -1.842 4.041 1.00 0.00 H new ATOM 0 HG2 PRO A 351 -13.756 -0.927 1.189 1.00 0.00 H new ATOM 0 HG3 PRO A 351 -13.800 0.029 2.657 1.00 0.00 H new ATOM 0 HD2 PRO A 351 -11.459 -0.470 1.243 1.00 0.00 H new ATOM 0 HD3 PRO A 351 -11.477 -0.093 2.955 1.00 0.00 H new ATOM 90 N LEU A 352 -13.997 -4.730 1.763 1.00 0.00 N ATOM 91 CA LEU A 352 -14.370 -5.698 0.737 1.00 0.00 C ATOM 92 C LEU A 352 -15.620 -5.236 -0.005 1.00 0.00 C ATOM 93 O LEU A 352 -16.711 -5.769 0.203 1.00 0.00 O ATOM 94 CB LEU A 352 -14.631 -7.063 1.376 1.00 0.00 C ATOM 95 CG LEU A 352 -14.363 -8.166 0.350 1.00 0.00 C ATOM 96 CD1 LEU A 352 -13.203 -9.039 0.830 1.00 0.00 C ATOM 97 CD2 LEU A 352 -15.618 -9.029 0.194 1.00 0.00 C ATOM 0 H LEU A 352 -14.668 -4.638 2.526 1.00 0.00 H new ATOM 0 HA LEU A 352 -13.548 -5.781 0.027 1.00 0.00 H new ATOM 0 HB2 LEU A 352 -13.989 -7.198 2.247 1.00 0.00 H new ATOM 0 HB3 LEU A 352 -15.661 -7.121 1.727 1.00 0.00 H new ATOM 0 HG LEU A 352 -14.106 -7.716 -0.609 1.00 0.00 H new ATOM 0 HD11 LEU A 352 -13.012 -9.825 0.099 1.00 0.00 H new ATOM 0 HD12 LEU A 352 -12.309 -8.426 0.945 1.00 0.00 H new ATOM 0 HD13 LEU A 352 -13.459 -9.490 1.789 1.00 0.00 H new ATOM 0 HD21 LEU A 352 -15.430 -9.816 -0.537 1.00 0.00 H new ATOM 0 HD22 LEU A 352 -15.872 -9.478 1.154 1.00 0.00 H new ATOM 0 HD23 LEU A 352 -16.447 -8.408 -0.147 1.00 0.00 H new ATOM 109 N LEU A 353 -15.454 -4.242 -0.872 1.00 0.00 N ATOM 110 CA LEU A 353 -16.572 -3.716 -1.642 1.00 0.00 C ATOM 111 C LEU A 353 -16.142 -2.484 -2.428 1.00 0.00 C ATOM 112 O LEU A 353 -15.614 -1.525 -1.867 1.00 0.00 O ATOM 113 CB LEU A 353 -17.727 -3.347 -0.714 1.00 0.00 C ATOM 114 CG LEU A 353 -19.056 -3.561 -1.441 1.00 0.00 C ATOM 115 CD1 LEU A 353 -20.074 -4.169 -0.475 1.00 0.00 C ATOM 116 CD2 LEU A 353 -19.578 -2.216 -1.951 1.00 0.00 C ATOM 0 H LEU A 353 -14.560 -3.787 -1.057 1.00 0.00 H new ATOM 0 HA LEU A 353 -16.901 -4.488 -2.337 1.00 0.00 H new ATOM 0 HB2 LEU A 353 -17.692 -3.958 0.188 1.00 0.00 H new ATOM 0 HB3 LEU A 353 -17.636 -2.307 -0.399 1.00 0.00 H new ATOM 0 HG LEU A 353 -18.906 -4.237 -2.283 1.00 0.00 H new ATOM 0 HD11 LEU A 353 -21.021 -4.321 -0.993 1.00 0.00 H new ATOM 0 HD12 LEU A 353 -19.702 -5.126 -0.109 1.00 0.00 H new ATOM 0 HD13 LEU A 353 -20.226 -3.493 0.367 1.00 0.00 H new ATOM 0 HD21 LEU A 353 -20.525 -2.366 -2.469 1.00 0.00 H new ATOM 0 HD22 LEU A 353 -19.729 -1.541 -1.108 1.00 0.00 H new ATOM 0 HD23 LEU A 353 -18.853 -1.781 -2.639 1.00 0.00 H new ATOM 128 N GLU A 354 -16.375 -2.523 -3.731 1.00 0.00 N ATOM 129 CA GLU A 354 -16.013 -1.410 -4.600 1.00 0.00 C ATOM 130 C GLU A 354 -14.539 -1.054 -4.429 1.00 0.00 C ATOM 131 O GLU A 354 -14.116 -0.624 -3.356 1.00 0.00 O ATOM 132 CB GLU A 354 -16.875 -0.189 -4.272 1.00 0.00 C ATOM 133 CG GLU A 354 -16.767 0.833 -5.405 1.00 0.00 C ATOM 134 CD GLU A 354 -16.949 2.243 -4.855 1.00 0.00 C ATOM 135 OE1 GLU A 354 -16.098 2.675 -4.095 1.00 0.00 O ATOM 136 OE2 GLU A 354 -17.935 2.872 -5.203 1.00 0.00 O ATOM 0 H GLU A 354 -16.812 -3.310 -4.210 1.00 0.00 H new ATOM 0 HA GLU A 354 -16.186 -1.710 -5.634 1.00 0.00 H new ATOM 0 HB2 GLU A 354 -17.914 -0.490 -4.138 1.00 0.00 H new ATOM 0 HB3 GLU A 354 -16.549 0.258 -3.333 1.00 0.00 H new ATOM 0 HG2 GLU A 354 -15.796 0.747 -5.892 1.00 0.00 H new ATOM 0 HG3 GLU A 354 -17.523 0.629 -6.163 1.00 0.00 H new ATOM 143 N THR A 355 -13.765 -1.238 -5.492 1.00 0.00 N ATOM 144 CA THR A 355 -12.339 -0.933 -5.447 1.00 0.00 C ATOM 145 C THR A 355 -12.101 0.423 -4.793 1.00 0.00 C ATOM 146 O THR A 355 -13.040 1.078 -4.342 1.00 0.00 O ATOM 147 CB THR A 355 -11.761 -0.927 -6.865 1.00 0.00 C ATOM 148 OG1 THR A 355 -10.476 -0.322 -6.847 1.00 0.00 O ATOM 149 CG2 THR A 355 -12.687 -0.136 -7.791 1.00 0.00 C ATOM 0 H THR A 355 -14.096 -1.594 -6.389 1.00 0.00 H new ATOM 0 HA THR A 355 -11.841 -1.701 -4.855 1.00 0.00 H new ATOM 0 HB THR A 355 -11.676 -1.951 -7.229 1.00 0.00 H new ATOM 0 HG1 THR A 355 -10.103 -0.318 -7.753 1.00 0.00 H new ATOM 0 HG21 THR A 355 -12.275 -0.132 -8.800 1.00 0.00 H new ATOM 0 HG22 THR A 355 -13.673 -0.601 -7.803 1.00 0.00 H new ATOM 0 HG23 THR A 355 -12.773 0.889 -7.430 1.00 0.00 H new ATOM 157 N LEU A 356 -10.839 0.838 -4.744 1.00 0.00 N ATOM 158 CA LEU A 356 -10.487 2.117 -4.143 1.00 0.00 C ATOM 159 C LEU A 356 -10.261 3.170 -5.219 1.00 0.00 C ATOM 160 O LEU A 356 -10.704 3.017 -6.358 1.00 0.00 O ATOM 161 CB LEU A 356 -9.223 1.971 -3.299 1.00 0.00 C ATOM 162 CG LEU A 356 -9.299 0.682 -2.478 1.00 0.00 C ATOM 163 CD1 LEU A 356 -10.692 0.550 -1.860 1.00 0.00 C ATOM 164 CD2 LEU A 356 -9.031 -0.519 -3.387 1.00 0.00 C ATOM 0 H LEU A 356 -10.048 0.310 -5.111 1.00 0.00 H new ATOM 0 HA LEU A 356 -11.313 2.434 -3.506 1.00 0.00 H new ATOM 0 HB2 LEU A 356 -8.344 1.952 -3.943 1.00 0.00 H new ATOM 0 HB3 LEU A 356 -9.115 2.830 -2.637 1.00 0.00 H new ATOM 0 HG LEU A 356 -8.551 0.714 -1.686 1.00 0.00 H new ATOM 0 HD11 LEU A 356 -10.745 -0.368 -1.275 1.00 0.00 H new ATOM 0 HD12 LEU A 356 -10.885 1.405 -1.211 1.00 0.00 H new ATOM 0 HD13 LEU A 356 -11.440 0.520 -2.652 1.00 0.00 H new ATOM 0 HD21 LEU A 356 -9.085 -1.437 -2.802 1.00 0.00 H new ATOM 0 HD22 LEU A 356 -9.778 -0.549 -4.180 1.00 0.00 H new ATOM 0 HD23 LEU A 356 -8.038 -0.427 -3.828 1.00 0.00 H new ATOM 176 N THR A 357 -9.567 4.238 -4.849 1.00 0.00 N ATOM 177 CA THR A 357 -9.282 5.317 -5.786 1.00 0.00 C ATOM 178 C THR A 357 -7.803 5.324 -6.159 1.00 0.00 C ATOM 179 O THR A 357 -7.087 4.354 -5.916 1.00 0.00 O ATOM 180 CB THR A 357 -9.659 6.664 -5.162 1.00 0.00 C ATOM 181 OG1 THR A 357 -9.374 6.635 -3.770 1.00 0.00 O ATOM 182 CG2 THR A 357 -11.151 6.925 -5.375 1.00 0.00 C ATOM 0 H THR A 357 -9.192 4.380 -3.911 1.00 0.00 H new ATOM 0 HA THR A 357 -9.873 5.156 -6.688 1.00 0.00 H new ATOM 0 HB THR A 357 -9.082 7.459 -5.634 1.00 0.00 H new ATOM 0 HG1 THR A 357 -9.613 7.497 -3.369 1.00 0.00 H new ATOM 0 HG21 THR A 357 -11.420 7.884 -4.931 1.00 0.00 H new ATOM 0 HG22 THR A 357 -11.368 6.946 -6.443 1.00 0.00 H new ATOM 0 HG23 THR A 357 -11.730 6.131 -4.903 1.00 0.00 H new ATOM 190 N ASP A 358 -7.353 6.424 -6.754 1.00 0.00 N ATOM 191 CA ASP A 358 -5.957 6.547 -7.159 1.00 0.00 C ATOM 192 C ASP A 358 -5.064 6.756 -5.943 1.00 0.00 C ATOM 193 O ASP A 358 -3.880 6.419 -5.960 1.00 0.00 O ATOM 194 CB ASP A 358 -5.793 7.720 -8.126 1.00 0.00 C ATOM 195 CG ASP A 358 -5.414 7.205 -9.510 1.00 0.00 C ATOM 196 OD1 ASP A 358 -6.147 6.384 -10.036 1.00 0.00 O ATOM 197 OD2 ASP A 358 -4.397 7.639 -10.024 1.00 0.00 O ATOM 0 H ASP A 358 -7.930 7.238 -6.965 1.00 0.00 H new ATOM 0 HA ASP A 358 -5.661 5.624 -7.658 1.00 0.00 H new ATOM 0 HB2 ASP A 358 -6.721 8.288 -8.182 1.00 0.00 H new ATOM 0 HB3 ASP A 358 -5.024 8.400 -7.759 1.00 0.00 H new ATOM 202 N ALA A 359 -5.641 7.317 -4.889 1.00 0.00 N ATOM 203 CA ALA A 359 -4.894 7.571 -3.662 1.00 0.00 C ATOM 204 C ALA A 359 -4.533 6.260 -2.973 1.00 0.00 C ATOM 205 O ALA A 359 -3.385 6.046 -2.585 1.00 0.00 O ATOM 206 CB ALA A 359 -5.726 8.437 -2.715 1.00 0.00 C ATOM 0 H ALA A 359 -6.619 7.604 -4.857 1.00 0.00 H new ATOM 0 HA ALA A 359 -3.974 8.096 -3.920 1.00 0.00 H new ATOM 0 HB1 ALA A 359 -5.162 8.622 -1.801 1.00 0.00 H new ATOM 0 HB2 ALA A 359 -5.956 9.387 -3.198 1.00 0.00 H new ATOM 0 HB3 ALA A 359 -6.654 7.920 -2.470 1.00 0.00 H new ATOM 212 N GLU A 360 -5.523 5.385 -2.823 1.00 0.00 N ATOM 213 CA GLU A 360 -5.299 4.098 -2.177 1.00 0.00 C ATOM 214 C GLU A 360 -4.307 3.260 -2.979 1.00 0.00 C ATOM 215 O GLU A 360 -3.382 2.671 -2.418 1.00 0.00 O ATOM 216 CB GLU A 360 -6.620 3.344 -2.051 1.00 0.00 C ATOM 217 CG GLU A 360 -7.315 3.749 -0.750 1.00 0.00 C ATOM 218 CD GLU A 360 -7.795 2.506 -0.006 1.00 0.00 C ATOM 219 OE1 GLU A 360 -7.265 1.441 -0.271 1.00 0.00 O ATOM 220 OE2 GLU A 360 -8.686 2.641 0.817 1.00 0.00 O ATOM 0 H GLU A 360 -6.480 5.543 -3.138 1.00 0.00 H new ATOM 0 HA GLU A 360 -4.885 4.277 -1.185 1.00 0.00 H new ATOM 0 HB2 GLU A 360 -7.261 3.567 -2.903 1.00 0.00 H new ATOM 0 HB3 GLU A 360 -6.440 2.269 -2.061 1.00 0.00 H new ATOM 0 HG2 GLU A 360 -6.628 4.316 -0.122 1.00 0.00 H new ATOM 0 HG3 GLU A 360 -8.160 4.402 -0.968 1.00 0.00 H new ATOM 227 N MET A 361 -4.505 3.213 -4.292 1.00 0.00 N ATOM 228 CA MET A 361 -3.621 2.445 -5.161 1.00 0.00 C ATOM 229 C MET A 361 -2.194 2.976 -5.076 1.00 0.00 C ATOM 230 O MET A 361 -1.242 2.207 -4.946 1.00 0.00 O ATOM 231 CB MET A 361 -4.113 2.525 -6.607 1.00 0.00 C ATOM 232 CG MET A 361 -3.332 3.608 -7.353 1.00 0.00 C ATOM 233 SD MET A 361 -3.849 3.639 -9.087 1.00 0.00 S ATOM 234 CE MET A 361 -3.277 1.979 -9.525 1.00 0.00 C ATOM 0 H MET A 361 -5.264 3.694 -4.775 1.00 0.00 H new ATOM 0 HA MET A 361 -3.630 1.406 -4.832 1.00 0.00 H new ATOM 0 HB2 MET A 361 -3.982 1.562 -7.101 1.00 0.00 H new ATOM 0 HB3 MET A 361 -5.179 2.751 -6.628 1.00 0.00 H new ATOM 0 HG2 MET A 361 -3.508 4.580 -6.893 1.00 0.00 H new ATOM 0 HG3 MET A 361 -2.262 3.412 -7.285 1.00 0.00 H new ATOM 0 HE1 MET A 361 -2.832 1.998 -10.520 1.00 0.00 H new ATOM 0 HE2 MET A 361 -2.533 1.648 -8.801 1.00 0.00 H new ATOM 0 HE3 MET A 361 -4.121 1.290 -9.518 1.00 0.00 H new ATOM 244 N GLU A 362 -2.054 4.296 -5.148 1.00 0.00 N ATOM 245 CA GLU A 362 -0.737 4.919 -5.078 1.00 0.00 C ATOM 246 C GLU A 362 -0.146 4.763 -3.680 1.00 0.00 C ATOM 247 O GLU A 362 1.072 4.694 -3.515 1.00 0.00 O ATOM 248 CB GLU A 362 -0.841 6.404 -5.428 1.00 0.00 C ATOM 249 CG GLU A 362 -0.650 6.588 -6.935 1.00 0.00 C ATOM 250 CD GLU A 362 -0.829 8.056 -7.306 1.00 0.00 C ATOM 251 OE1 GLU A 362 -1.219 8.319 -8.432 1.00 0.00 O ATOM 252 OE2 GLU A 362 -0.572 8.897 -6.460 1.00 0.00 O ATOM 0 H GLU A 362 -2.829 4.950 -5.254 1.00 0.00 H new ATOM 0 HA GLU A 362 -0.082 4.424 -5.795 1.00 0.00 H new ATOM 0 HB2 GLU A 362 -1.813 6.793 -5.124 1.00 0.00 H new ATOM 0 HB3 GLU A 362 -0.086 6.971 -4.883 1.00 0.00 H new ATOM 0 HG2 GLU A 362 0.343 6.248 -7.229 1.00 0.00 H new ATOM 0 HG3 GLU A 362 -1.370 5.976 -7.479 1.00 0.00 H new ATOM 259 N LYS A 363 -1.017 4.711 -2.678 1.00 0.00 N ATOM 260 CA LYS A 363 -0.571 4.564 -1.298 1.00 0.00 C ATOM 261 C LYS A 363 0.082 3.202 -1.087 1.00 0.00 C ATOM 262 O LYS A 363 1.180 3.106 -0.539 1.00 0.00 O ATOM 263 CB LYS A 363 -1.759 4.716 -0.347 1.00 0.00 C ATOM 264 CG LYS A 363 -1.439 5.777 0.708 1.00 0.00 C ATOM 265 CD LYS A 363 -1.008 5.093 2.008 1.00 0.00 C ATOM 266 CE LYS A 363 -1.981 5.465 3.127 1.00 0.00 C ATOM 267 NZ LYS A 363 -2.153 4.301 4.042 1.00 0.00 N ATOM 0 H LYS A 363 -2.029 4.768 -2.794 1.00 0.00 H new ATOM 0 HA LYS A 363 0.164 5.342 -1.089 1.00 0.00 H new ATOM 0 HB2 LYS A 363 -2.651 5.001 -0.905 1.00 0.00 H new ATOM 0 HB3 LYS A 363 -1.976 3.763 0.135 1.00 0.00 H new ATOM 0 HG2 LYS A 363 -0.646 6.433 0.350 1.00 0.00 H new ATOM 0 HG3 LYS A 363 -2.314 6.402 0.887 1.00 0.00 H new ATOM 0 HD2 LYS A 363 -0.989 4.012 1.873 1.00 0.00 H new ATOM 0 HD3 LYS A 363 0.004 5.399 2.274 1.00 0.00 H new ATOM 0 HE2 LYS A 363 -1.603 6.324 3.681 1.00 0.00 H new ATOM 0 HE3 LYS A 363 -2.943 5.755 2.705 1.00 0.00 H new ATOM 0 HZ1 LYS A 363 -2.815 4.553 4.804 1.00 0.00 H new ATOM 0 HZ2 LYS A 363 -2.531 3.493 3.508 1.00 0.00 H new ATOM 0 HZ3 LYS A 363 -1.233 4.044 4.454 1.00 0.00 H new ATOM 281 N LYS A 364 -0.603 2.151 -1.526 1.00 0.00 N ATOM 282 CA LYS A 364 -0.081 0.797 -1.380 1.00 0.00 C ATOM 283 C LYS A 364 1.152 0.601 -2.257 1.00 0.00 C ATOM 284 O LYS A 364 2.196 0.152 -1.786 1.00 0.00 O ATOM 285 CB LYS A 364 -1.154 -0.222 -1.769 1.00 0.00 C ATOM 286 CG LYS A 364 -1.669 0.091 -3.175 1.00 0.00 C ATOM 287 CD LYS A 364 -2.878 -0.795 -3.484 1.00 0.00 C ATOM 288 CE LYS A 364 -2.486 -2.266 -3.331 1.00 0.00 C ATOM 289 NZ LYS A 364 -3.212 -2.855 -2.171 1.00 0.00 N ATOM 0 H LYS A 364 -1.513 2.209 -1.982 1.00 0.00 H new ATOM 0 HA LYS A 364 0.201 0.647 -0.338 1.00 0.00 H new ATOM 0 HB2 LYS A 364 -0.741 -1.230 -1.737 1.00 0.00 H new ATOM 0 HB3 LYS A 364 -1.976 -0.191 -1.054 1.00 0.00 H new ATOM 0 HG2 LYS A 364 -1.947 1.142 -3.246 1.00 0.00 H new ATOM 0 HG3 LYS A 364 -0.882 -0.081 -3.909 1.00 0.00 H new ATOM 0 HD2 LYS A 364 -3.700 -0.555 -2.810 1.00 0.00 H new ATOM 0 HD3 LYS A 364 -3.231 -0.605 -4.498 1.00 0.00 H new ATOM 0 HE2 LYS A 364 -2.728 -2.814 -4.241 1.00 0.00 H new ATOM 0 HE3 LYS A 364 -1.410 -2.353 -3.182 1.00 0.00 H new ATOM 0 HZ1 LYS A 364 -3.433 -3.852 -2.369 1.00 0.00 H new ATOM 0 HZ2 LYS A 364 -2.615 -2.795 -1.321 1.00 0.00 H new ATOM 0 HZ3 LYS A 364 -4.095 -2.330 -2.012 1.00 0.00 H new ATOM 303 N ILE A 365 1.022 0.940 -3.536 1.00 0.00 N ATOM 304 CA ILE A 365 2.131 0.797 -4.470 1.00 0.00 C ATOM 305 C ILE A 365 3.342 1.592 -3.992 1.00 0.00 C ATOM 306 O ILE A 365 4.477 1.123 -4.072 1.00 0.00 O ATOM 307 CB ILE A 365 1.712 1.286 -5.856 1.00 0.00 C ATOM 308 CG1 ILE A 365 0.977 0.162 -6.590 1.00 0.00 C ATOM 309 CG2 ILE A 365 2.952 1.691 -6.654 1.00 0.00 C ATOM 310 CD1 ILE A 365 1.386 0.162 -8.064 1.00 0.00 C ATOM 0 H ILE A 365 0.166 1.313 -3.946 1.00 0.00 H new ATOM 0 HA ILE A 365 2.402 -0.257 -4.523 1.00 0.00 H new ATOM 0 HB ILE A 365 1.052 2.147 -5.753 1.00 0.00 H new ATOM 0 HG12 ILE A 365 1.215 -0.800 -6.136 1.00 0.00 H new ATOM 0 HG13 ILE A 365 -0.101 0.299 -6.501 1.00 0.00 H new ATOM 0 HG21 ILE A 365 2.651 2.039 -7.642 1.00 0.00 H new ATOM 0 HG22 ILE A 365 3.476 2.491 -6.131 1.00 0.00 H new ATOM 0 HG23 ILE A 365 3.614 0.832 -6.758 1.00 0.00 H new ATOM 0 HD11 ILE A 365 0.863 -0.639 -8.587 1.00 0.00 H new ATOM 0 HD12 ILE A 365 1.126 1.120 -8.514 1.00 0.00 H new ATOM 0 HD13 ILE A 365 2.462 0.004 -8.143 1.00 0.00 H new ATOM 322 N ARG A 366 3.089 2.798 -3.497 1.00 0.00 N ATOM 323 CA ARG A 366 4.168 3.652 -3.008 1.00 0.00 C ATOM 324 C ARG A 366 4.836 3.026 -1.789 1.00 0.00 C ATOM 325 O ARG A 366 6.063 2.995 -1.688 1.00 0.00 O ATOM 326 CB ARG A 366 3.615 5.031 -2.639 1.00 0.00 C ATOM 327 CG ARG A 366 3.314 5.820 -3.913 1.00 0.00 C ATOM 328 CD ARG A 366 4.458 6.796 -4.193 1.00 0.00 C ATOM 329 NE ARG A 366 5.521 6.129 -4.938 1.00 0.00 N ATOM 330 CZ ARG A 366 6.460 6.827 -5.568 1.00 0.00 C ATOM 331 NH1 ARG A 366 6.442 8.131 -5.527 1.00 0.00 N ATOM 332 NH2 ARG A 366 7.400 6.207 -6.228 1.00 0.00 N ATOM 0 H ARG A 366 2.156 3.205 -3.423 1.00 0.00 H new ATOM 0 HA ARG A 366 4.910 3.758 -3.799 1.00 0.00 H new ATOM 0 HB2 ARG A 366 2.709 4.923 -2.043 1.00 0.00 H new ATOM 0 HB3 ARG A 366 4.337 5.571 -2.026 1.00 0.00 H new ATOM 0 HG2 ARG A 366 3.190 5.138 -4.754 1.00 0.00 H new ATOM 0 HG3 ARG A 366 2.376 6.365 -3.803 1.00 0.00 H new ATOM 0 HD2 ARG A 366 4.087 7.649 -4.761 1.00 0.00 H new ATOM 0 HD3 ARG A 366 4.851 7.185 -3.254 1.00 0.00 H new ATOM 0 HE ARG A 366 5.544 5.110 -4.976 1.00 0.00 H new ATOM 0 HH11 ARG A 366 5.707 8.615 -5.011 1.00 0.00 H new ATOM 0 HH12 ARG A 366 7.163 8.666 -6.011 1.00 0.00 H new ATOM 0 HH21 ARG A 366 7.413 5.188 -6.260 1.00 0.00 H new ATOM 0 HH22 ARG A 366 8.121 6.742 -6.712 1.00 0.00 H new ATOM 346 N ASP A 367 4.021 2.527 -0.867 1.00 0.00 N ATOM 347 CA ASP A 367 4.544 1.901 0.343 1.00 0.00 C ATOM 348 C ASP A 367 5.338 0.648 -0.004 1.00 0.00 C ATOM 349 O ASP A 367 6.437 0.437 0.507 1.00 0.00 O ATOM 350 CB ASP A 367 3.392 1.536 1.281 1.00 0.00 C ATOM 351 CG ASP A 367 3.894 1.463 2.719 1.00 0.00 C ATOM 352 OD1 ASP A 367 3.107 1.112 3.584 1.00 0.00 O ATOM 353 OD2 ASP A 367 5.057 1.760 2.934 1.00 0.00 O ATOM 0 H ASP A 367 3.003 2.543 -0.932 1.00 0.00 H new ATOM 0 HA ASP A 367 5.206 2.610 0.841 1.00 0.00 H new ATOM 0 HB2 ASP A 367 2.598 2.279 1.201 1.00 0.00 H new ATOM 0 HB3 ASP A 367 2.963 0.578 0.988 1.00 0.00 H new ATOM 358 N GLN A 368 4.775 -0.181 -0.878 1.00 0.00 N ATOM 359 CA GLN A 368 5.442 -1.412 -1.286 1.00 0.00 C ATOM 360 C GLN A 368 6.678 -1.098 -2.118 1.00 0.00 C ATOM 361 O GLN A 368 7.632 -1.875 -2.154 1.00 0.00 O ATOM 362 CB GLN A 368 4.482 -2.283 -2.098 1.00 0.00 C ATOM 363 CG GLN A 368 3.577 -3.069 -1.147 1.00 0.00 C ATOM 364 CD GLN A 368 3.322 -4.466 -1.704 1.00 0.00 C ATOM 365 OE1 GLN A 368 4.227 -5.301 -1.724 1.00 0.00 O ATOM 366 NE2 GLN A 368 2.139 -4.770 -2.160 1.00 0.00 N ATOM 0 H GLN A 368 3.866 -0.025 -1.314 1.00 0.00 H new ATOM 0 HA GLN A 368 5.749 -1.952 -0.390 1.00 0.00 H new ATOM 0 HB2 GLN A 368 3.879 -1.660 -2.759 1.00 0.00 H new ATOM 0 HB3 GLN A 368 5.044 -2.969 -2.732 1.00 0.00 H new ATOM 0 HG2 GLN A 368 4.043 -3.140 -0.164 1.00 0.00 H new ATOM 0 HG3 GLN A 368 2.631 -2.543 -1.014 1.00 0.00 H new ATOM 0 HE21 GLN A 368 1.392 -4.076 -2.142 1.00 0.00 H new ATOM 0 HE22 GLN A 368 1.961 -5.702 -2.535 1.00 0.00 H new ATOM 375 N ASP A 369 6.652 0.048 -2.787 1.00 0.00 N ATOM 376 CA ASP A 369 7.774 0.463 -3.618 1.00 0.00 C ATOM 377 C ASP A 369 8.938 0.926 -2.751 1.00 0.00 C ATOM 378 O ASP A 369 10.099 0.648 -3.051 1.00 0.00 O ATOM 379 CB ASP A 369 7.344 1.600 -4.549 1.00 0.00 C ATOM 380 CG ASP A 369 7.221 1.084 -5.979 1.00 0.00 C ATOM 381 OD1 ASP A 369 8.189 0.535 -6.476 1.00 0.00 O ATOM 382 OD2 ASP A 369 6.158 1.249 -6.556 1.00 0.00 O ATOM 0 H ASP A 369 5.870 0.703 -2.771 1.00 0.00 H new ATOM 0 HA ASP A 369 8.096 -0.391 -4.214 1.00 0.00 H new ATOM 0 HB2 ASP A 369 6.390 2.011 -4.218 1.00 0.00 H new ATOM 0 HB3 ASP A 369 8.072 2.410 -4.507 1.00 0.00 H new ATOM 387 N ARG A 370 8.616 1.632 -1.675 1.00 0.00 N ATOM 388 CA ARG A 370 9.639 2.130 -0.763 1.00 0.00 C ATOM 389 C ARG A 370 10.199 0.991 0.083 1.00 0.00 C ATOM 390 O ARG A 370 11.392 0.960 0.388 1.00 0.00 O ATOM 391 CB ARG A 370 9.047 3.205 0.151 1.00 0.00 C ATOM 392 CG ARG A 370 9.471 4.588 -0.346 1.00 0.00 C ATOM 393 CD ARG A 370 10.804 4.976 0.297 1.00 0.00 C ATOM 394 NE ARG A 370 10.870 6.420 0.489 1.00 0.00 N ATOM 395 CZ ARG A 370 12.021 7.024 0.762 1.00 0.00 C ATOM 396 NH1 ARG A 370 13.118 6.324 0.863 1.00 0.00 N ATOM 397 NH2 ARG A 370 12.056 8.319 0.929 1.00 0.00 N ATOM 0 H ARG A 370 7.660 1.872 -1.413 1.00 0.00 H new ATOM 0 HA ARG A 370 10.447 2.562 -1.353 1.00 0.00 H new ATOM 0 HB2 ARG A 370 7.960 3.129 0.163 1.00 0.00 H new ATOM 0 HB3 ARG A 370 9.388 3.055 1.175 1.00 0.00 H new ATOM 0 HG2 ARG A 370 9.567 4.582 -1.432 1.00 0.00 H new ATOM 0 HG3 ARG A 370 8.707 5.325 -0.098 1.00 0.00 H new ATOM 0 HD2 ARG A 370 10.915 4.469 1.256 1.00 0.00 H new ATOM 0 HD3 ARG A 370 11.630 4.648 -0.334 1.00 0.00 H new ATOM 0 HE ARG A 370 10.018 6.976 0.412 1.00 0.00 H new ATOM 0 HH11 ARG A 370 13.092 5.313 0.732 1.00 0.00 H new ATOM 0 HH12 ARG A 370 14.002 6.788 1.073 1.00 0.00 H new ATOM 0 HH21 ARG A 370 11.199 8.867 0.850 1.00 0.00 H new ATOM 0 HH22 ARG A 370 12.940 8.782 1.139 1.00 0.00 H new ATOM 411 N ASN A 371 9.332 0.057 0.456 1.00 0.00 N ATOM 412 CA ASN A 371 9.750 -1.080 1.267 1.00 0.00 C ATOM 413 C ASN A 371 10.623 -2.028 0.448 1.00 0.00 C ATOM 414 O ASN A 371 11.682 -2.459 0.902 1.00 0.00 O ATOM 415 CB ASN A 371 8.522 -1.833 1.783 1.00 0.00 C ATOM 416 CG ASN A 371 8.730 -2.231 3.241 1.00 0.00 C ATOM 417 OD1 ASN A 371 9.219 -3.325 3.524 1.00 0.00 O ATOM 418 ND2 ASN A 371 8.387 -1.402 4.189 1.00 0.00 N ATOM 0 H ASN A 371 8.342 0.064 0.212 1.00 0.00 H new ATOM 0 HA ASN A 371 10.329 -0.707 2.112 1.00 0.00 H new ATOM 0 HB2 ASN A 371 7.635 -1.206 1.691 1.00 0.00 H new ATOM 0 HB3 ASN A 371 8.348 -2.721 1.176 1.00 0.00 H new ATOM 0 HD21 ASN A 371 8.524 -1.660 5.166 1.00 0.00 H new ATOM 0 HD22 ASN A 371 7.982 -0.496 3.953 1.00 0.00 H new ATOM 425 N THR A 372 10.169 -2.347 -0.760 1.00 0.00 N ATOM 426 CA THR A 372 10.918 -3.244 -1.632 1.00 0.00 C ATOM 427 C THR A 372 12.223 -2.593 -2.077 1.00 0.00 C ATOM 428 O THR A 372 13.284 -3.214 -2.036 1.00 0.00 O ATOM 429 CB THR A 372 10.078 -3.600 -2.861 1.00 0.00 C ATOM 430 OG1 THR A 372 9.671 -4.958 -2.776 1.00 0.00 O ATOM 431 CG2 THR A 372 10.909 -3.392 -4.128 1.00 0.00 C ATOM 0 H THR A 372 9.294 -2.001 -1.154 1.00 0.00 H new ATOM 0 HA THR A 372 11.150 -4.152 -1.075 1.00 0.00 H new ATOM 0 HB THR A 372 9.198 -2.958 -2.899 1.00 0.00 H new ATOM 0 HG1 THR A 372 9.131 -5.188 -3.561 1.00 0.00 H new ATOM 0 HG21 THR A 372 10.309 -3.646 -5.002 1.00 0.00 H new ATOM 0 HG22 THR A 372 11.220 -2.349 -4.192 1.00 0.00 H new ATOM 0 HG23 THR A 372 11.790 -4.032 -4.094 1.00 0.00 H new ATOM 439 N ARG A 373 12.137 -1.336 -2.504 1.00 0.00 N ATOM 440 CA ARG A 373 13.317 -0.610 -2.956 1.00 0.00 C ATOM 441 C ARG A 373 14.337 -0.492 -1.827 1.00 0.00 C ATOM 442 O ARG A 373 15.529 -0.722 -2.027 1.00 0.00 O ATOM 443 CB ARG A 373 12.920 0.786 -3.436 1.00 0.00 C ATOM 444 CG ARG A 373 12.523 0.725 -4.912 1.00 0.00 C ATOM 445 CD ARG A 373 13.424 1.658 -5.723 1.00 0.00 C ATOM 446 NE ARG A 373 12.617 2.582 -6.511 1.00 0.00 N ATOM 447 CZ ARG A 373 12.112 3.687 -5.969 1.00 0.00 C ATOM 448 NH1 ARG A 373 12.336 3.958 -4.713 1.00 0.00 N ATOM 449 NH2 ARG A 373 11.393 4.498 -6.694 1.00 0.00 N ATOM 0 H ARG A 373 11.268 -0.803 -2.546 1.00 0.00 H new ATOM 0 HA ARG A 373 13.767 -1.162 -3.781 1.00 0.00 H new ATOM 0 HB2 ARG A 373 12.089 1.164 -2.840 1.00 0.00 H new ATOM 0 HB3 ARG A 373 13.751 1.479 -3.300 1.00 0.00 H new ATOM 0 HG2 ARG A 373 12.613 -0.296 -5.282 1.00 0.00 H new ATOM 0 HG3 ARG A 373 11.479 1.016 -5.031 1.00 0.00 H new ATOM 0 HD2 ARG A 373 14.078 2.216 -5.053 1.00 0.00 H new ATOM 0 HD3 ARG A 373 14.066 1.073 -6.381 1.00 0.00 H new ATOM 0 HE ARG A 373 12.437 2.378 -7.494 1.00 0.00 H new ATOM 0 HH11 ARG A 373 12.898 3.323 -4.147 1.00 0.00 H new ATOM 0 HH12 ARG A 373 11.949 4.805 -4.297 1.00 0.00 H new ATOM 0 HH21 ARG A 373 11.218 4.285 -7.676 1.00 0.00 H new ATOM 0 HH22 ARG A 373 11.005 5.345 -6.279 1.00 0.00 H new ATOM 463 N ARG A 374 13.859 -0.131 -0.641 1.00 0.00 N ATOM 464 CA ARG A 374 14.738 0.017 0.514 1.00 0.00 C ATOM 465 C ARG A 374 15.389 -1.319 0.865 1.00 0.00 C ATOM 466 O ARG A 374 16.588 -1.384 1.133 1.00 0.00 O ATOM 467 CB ARG A 374 13.942 0.530 1.714 1.00 0.00 C ATOM 468 CG ARG A 374 14.074 2.053 1.801 1.00 0.00 C ATOM 469 CD ARG A 374 15.084 2.417 2.891 1.00 0.00 C ATOM 470 NE ARG A 374 14.935 3.818 3.267 1.00 0.00 N ATOM 471 CZ ARG A 374 15.283 4.794 2.436 1.00 0.00 C ATOM 472 NH1 ARG A 374 15.768 4.506 1.257 1.00 0.00 N ATOM 473 NH2 ARG A 374 15.142 6.041 2.794 1.00 0.00 N ATOM 0 H ARG A 374 12.875 0.063 -0.454 1.00 0.00 H new ATOM 0 HA ARG A 374 15.519 0.735 0.264 1.00 0.00 H new ATOM 0 HB2 ARG A 374 12.893 0.250 1.615 1.00 0.00 H new ATOM 0 HB3 ARG A 374 14.309 0.069 2.631 1.00 0.00 H new ATOM 0 HG2 ARG A 374 14.398 2.456 0.841 1.00 0.00 H new ATOM 0 HG3 ARG A 374 13.105 2.500 2.024 1.00 0.00 H new ATOM 0 HD2 ARG A 374 14.934 1.781 3.763 1.00 0.00 H new ATOM 0 HD3 ARG A 374 16.097 2.234 2.534 1.00 0.00 H new ATOM 0 HE ARG A 374 14.557 4.053 4.185 1.00 0.00 H new ATOM 0 HH11 ARG A 374 15.879 3.532 0.975 1.00 0.00 H new ATOM 0 HH12 ARG A 374 16.035 5.255 0.619 1.00 0.00 H new ATOM 0 HH21 ARG A 374 14.764 6.268 3.714 1.00 0.00 H new ATOM 0 HH22 ARG A 374 15.410 6.789 2.154 1.00 0.00 H new ATOM 487 N MET A 375 14.588 -2.378 0.861 1.00 0.00 N ATOM 488 CA MET A 375 15.096 -3.708 1.182 1.00 0.00 C ATOM 489 C MET A 375 15.891 -4.273 0.011 1.00 0.00 C ATOM 490 O MET A 375 16.708 -5.179 0.180 1.00 0.00 O ATOM 491 CB MET A 375 13.936 -4.647 1.515 1.00 0.00 C ATOM 492 CG MET A 375 13.554 -4.486 2.987 1.00 0.00 C ATOM 493 SD MET A 375 12.970 -6.071 3.637 1.00 0.00 S ATOM 494 CE MET A 375 11.656 -5.414 4.692 1.00 0.00 C ATOM 0 H MET A 375 13.593 -2.344 0.641 1.00 0.00 H new ATOM 0 HA MET A 375 15.753 -3.625 2.048 1.00 0.00 H new ATOM 0 HB2 MET A 375 13.079 -4.423 0.880 1.00 0.00 H new ATOM 0 HB3 MET A 375 14.221 -5.680 1.313 1.00 0.00 H new ATOM 0 HG2 MET A 375 14.414 -4.140 3.561 1.00 0.00 H new ATOM 0 HG3 MET A 375 12.776 -3.730 3.091 1.00 0.00 H new ATOM 0 HE1 MET A 375 11.492 -6.089 5.532 1.00 0.00 H new ATOM 0 HE2 MET A 375 11.947 -4.433 5.067 1.00 0.00 H new ATOM 0 HE3 MET A 375 10.736 -5.324 4.114 1.00 0.00 H new ATOM 504 N ARG A 376 15.646 -3.732 -1.174 1.00 0.00 N ATOM 505 CA ARG A 376 16.343 -4.187 -2.372 1.00 0.00 C ATOM 506 C ARG A 376 17.787 -3.696 -2.373 1.00 0.00 C ATOM 507 O ARG A 376 18.717 -4.470 -2.592 1.00 0.00 O ATOM 508 CB ARG A 376 15.626 -3.670 -3.622 1.00 0.00 C ATOM 509 CG ARG A 376 14.507 -4.641 -4.006 1.00 0.00 C ATOM 510 CD ARG A 376 15.045 -5.675 -4.995 1.00 0.00 C ATOM 511 NE ARG A 376 15.742 -5.012 -6.091 1.00 0.00 N ATOM 512 CZ ARG A 376 16.332 -5.713 -7.054 1.00 0.00 C ATOM 513 NH1 ARG A 376 16.294 -7.017 -7.030 1.00 0.00 N ATOM 514 NH2 ARG A 376 16.950 -5.096 -8.025 1.00 0.00 N ATOM 0 H ARG A 376 14.974 -2.981 -1.333 1.00 0.00 H new ATOM 0 HA ARG A 376 16.342 -5.277 -2.377 1.00 0.00 H new ATOM 0 HB2 ARG A 376 15.213 -2.679 -3.434 1.00 0.00 H new ATOM 0 HB3 ARG A 376 16.334 -3.570 -4.445 1.00 0.00 H new ATOM 0 HG2 ARG A 376 14.122 -5.139 -3.116 1.00 0.00 H new ATOM 0 HG3 ARG A 376 13.675 -4.096 -4.451 1.00 0.00 H new ATOM 0 HD2 ARG A 376 15.723 -6.358 -4.484 1.00 0.00 H new ATOM 0 HD3 ARG A 376 14.224 -6.275 -5.387 1.00 0.00 H new ATOM 0 HE ARG A 376 15.777 -3.993 -6.119 1.00 0.00 H new ATOM 0 HH11 ARG A 376 15.811 -7.499 -6.272 1.00 0.00 H new ATOM 0 HH12 ARG A 376 16.747 -7.554 -7.769 1.00 0.00 H new ATOM 0 HH21 ARG A 376 16.980 -4.077 -8.044 1.00 0.00 H new ATOM 0 HH22 ARG A 376 17.403 -5.633 -8.764 1.00 0.00 H new ATOM 528 N ARG A 377 17.966 -2.402 -2.123 1.00 0.00 N ATOM 529 CA ARG A 377 19.303 -1.818 -2.096 1.00 0.00 C ATOM 530 C ARG A 377 20.017 -2.176 -0.799 1.00 0.00 C ATOM 531 O ARG A 377 21.243 -2.119 -0.716 1.00 0.00 O ATOM 532 CB ARG A 377 19.211 -0.296 -2.230 1.00 0.00 C ATOM 533 CG ARG A 377 18.417 0.274 -1.053 1.00 0.00 C ATOM 534 CD ARG A 377 17.880 1.658 -1.423 1.00 0.00 C ATOM 535 NE ARG A 377 18.968 2.629 -1.455 1.00 0.00 N ATOM 536 CZ ARG A 377 19.414 3.197 -0.339 1.00 0.00 C ATOM 537 NH1 ARG A 377 18.878 2.888 0.810 1.00 0.00 N ATOM 538 NH2 ARG A 377 20.389 4.063 -0.392 1.00 0.00 N ATOM 0 H ARG A 377 17.210 -1.743 -1.938 1.00 0.00 H new ATOM 0 HA ARG A 377 19.873 -2.221 -2.933 1.00 0.00 H new ATOM 0 HB2 ARG A 377 20.210 0.139 -2.252 1.00 0.00 H new ATOM 0 HB3 ARG A 377 18.727 -0.032 -3.170 1.00 0.00 H new ATOM 0 HG2 ARG A 377 17.592 -0.392 -0.800 1.00 0.00 H new ATOM 0 HG3 ARG A 377 19.053 0.343 -0.171 1.00 0.00 H new ATOM 0 HD2 ARG A 377 17.390 1.618 -2.396 1.00 0.00 H new ATOM 0 HD3 ARG A 377 17.127 1.969 -0.699 1.00 0.00 H new ATOM 0 HE ARG A 377 19.394 2.876 -2.348 1.00 0.00 H new ATOM 0 HH11 ARG A 377 18.117 2.210 0.852 1.00 0.00 H new ATOM 0 HH12 ARG A 377 19.220 3.324 1.666 1.00 0.00 H new ATOM 0 HH21 ARG A 377 20.809 4.304 -1.290 1.00 0.00 H new ATOM 0 HH22 ARG A 377 20.731 4.499 0.464 1.00 0.00 H new ATOM 552 N LEU A 378 19.239 -2.545 0.207 1.00 0.00 N ATOM 553 CA LEU A 378 19.801 -2.914 1.503 1.00 0.00 C ATOM 554 C LEU A 378 19.932 -4.428 1.618 1.00 0.00 C ATOM 555 O LEU A 378 19.681 -5.004 2.677 1.00 0.00 O ATOM 556 CB LEU A 378 18.907 -2.390 2.628 1.00 0.00 C ATOM 557 CG LEU A 378 19.770 -2.020 3.836 1.00 0.00 C ATOM 558 CD1 LEU A 378 19.629 -0.524 4.125 1.00 0.00 C ATOM 559 CD2 LEU A 378 19.307 -2.819 5.054 1.00 0.00 C ATOM 0 H LEU A 378 18.222 -2.598 0.155 1.00 0.00 H new ATOM 0 HA LEU A 378 20.792 -2.468 1.589 1.00 0.00 H new ATOM 0 HB2 LEU A 378 18.348 -1.519 2.287 1.00 0.00 H new ATOM 0 HB3 LEU A 378 18.176 -3.148 2.909 1.00 0.00 H new ATOM 0 HG LEU A 378 20.813 -2.252 3.623 1.00 0.00 H new ATOM 0 HD11 LEU A 378 20.244 -0.260 4.986 1.00 0.00 H new ATOM 0 HD12 LEU A 378 19.957 0.047 3.256 1.00 0.00 H new ATOM 0 HD13 LEU A 378 18.586 -0.292 4.339 1.00 0.00 H new ATOM 0 HD21 LEU A 378 19.921 -2.557 5.916 1.00 0.00 H new ATOM 0 HD22 LEU A 378 18.264 -2.586 5.267 1.00 0.00 H new ATOM 0 HD23 LEU A 378 19.406 -3.885 4.849 1.00 0.00 H new ATOM 571 N ALA A 379 20.329 -5.069 0.522 1.00 0.00 N ATOM 572 CA ALA A 379 20.490 -6.518 0.513 1.00 0.00 C ATOM 573 C ALA A 379 21.504 -6.951 1.567 1.00 0.00 C ATOM 574 O ALA A 379 21.176 -7.062 2.749 1.00 0.00 O ATOM 575 CB ALA A 379 20.958 -6.982 -0.867 1.00 0.00 C ATOM 0 H ALA A 379 20.543 -4.612 -0.364 1.00 0.00 H new ATOM 0 HA ALA A 379 19.527 -6.973 0.743 1.00 0.00 H new ATOM 0 HB1 ALA A 379 21.076 -8.066 -0.866 1.00 0.00 H new ATOM 0 HB2 ALA A 379 20.219 -6.698 -1.616 1.00 0.00 H new ATOM 0 HB3 ALA A 379 21.913 -6.513 -1.104 1.00 0.00 H new ATOM 581 N ASN A 380 22.736 -7.194 1.133 1.00 0.00 N ATOM 582 CA ASN A 380 23.790 -7.615 2.048 1.00 0.00 C ATOM 583 C ASN A 380 24.136 -6.490 3.019 1.00 0.00 C ATOM 584 O ASN A 380 23.460 -6.298 4.029 1.00 0.00 O ATOM 585 CB ASN A 380 25.039 -8.013 1.260 1.00 0.00 C ATOM 586 CG ASN A 380 25.072 -9.525 1.064 1.00 0.00 C ATOM 587 OD1 ASN A 380 24.113 -10.217 1.406 1.00 0.00 O ATOM 588 ND2 ASN A 380 26.125 -10.083 0.531 1.00 0.00 N ATOM 0 H ASN A 380 23.028 -7.107 0.160 1.00 0.00 H new ATOM 0 HA ASN A 380 23.431 -8.473 2.616 1.00 0.00 H new ATOM 0 HB2 ASN A 380 25.043 -7.512 0.292 1.00 0.00 H new ATOM 0 HB3 ASN A 380 25.933 -7.687 1.791 1.00 0.00 H new ATOM 0 HD21 ASN A 380 26.154 -11.094 0.397 1.00 0.00 H new ATOM 0 HD22 ASN A 380 26.919 -9.508 0.248 1.00 0.00 H new ATOM 595 N THR A 381 25.194 -5.749 2.705 1.00 0.00 N ATOM 596 CA THR A 381 25.622 -4.646 3.558 1.00 0.00 C ATOM 597 C THR A 381 25.471 -5.016 5.029 1.00 0.00 C ATOM 598 O THR A 381 24.659 -4.432 5.746 1.00 0.00 O ATOM 599 CB THR A 381 24.788 -3.400 3.256 1.00 0.00 C ATOM 600 OG1 THR A 381 23.507 -3.792 2.781 1.00 0.00 O ATOM 601 CG2 THR A 381 25.493 -2.558 2.190 1.00 0.00 C ATOM 0 H THR A 381 25.767 -5.890 1.873 1.00 0.00 H new ATOM 0 HA THR A 381 26.673 -4.440 3.353 1.00 0.00 H new ATOM 0 HB THR A 381 24.674 -2.810 4.166 1.00 0.00 H new ATOM 0 HG1 THR A 381 23.040 -4.297 3.479 1.00 0.00 H new ATOM 0 HG21 THR A 381 24.898 -1.670 1.975 1.00 0.00 H new ATOM 0 HG22 THR A 381 26.475 -2.257 2.555 1.00 0.00 H new ATOM 0 HG23 THR A 381 25.609 -3.146 1.280 1.00 0.00 H new ATOM 609 N ALA A 382 26.259 -5.991 5.473 1.00 0.00 N ATOM 610 CA ALA A 382 26.204 -6.431 6.862 1.00 0.00 C ATOM 611 C ALA A 382 25.099 -7.464 7.054 1.00 0.00 C ATOM 612 O ALA A 382 23.920 -7.120 7.140 1.00 0.00 O ATOM 613 CB ALA A 382 25.951 -5.234 7.780 1.00 0.00 C ATOM 0 H ALA A 382 26.938 -6.488 4.896 1.00 0.00 H new ATOM 0 HA ALA A 382 27.161 -6.888 7.116 1.00 0.00 H new ATOM 0 HB1 ALA A 382 25.911 -5.572 8.816 1.00 0.00 H new ATOM 0 HB2 ALA A 382 26.758 -4.510 7.665 1.00 0.00 H new ATOM 0 HB3 ALA A 382 25.003 -4.766 7.515 1.00 0.00 H new ATOM 619 N PRO A 383 25.463 -8.716 7.122 1.00 0.00 N ATOM 620 CA PRO A 383 24.491 -9.831 7.307 1.00 0.00 C ATOM 621 C PRO A 383 23.929 -9.874 8.726 1.00 0.00 C ATOM 622 O PRO A 383 24.551 -9.378 9.667 1.00 0.00 O ATOM 623 CB PRO A 383 25.314 -11.083 7.007 1.00 0.00 C ATOM 624 CG PRO A 383 26.732 -10.705 7.287 1.00 0.00 C ATOM 625 CD PRO A 383 26.847 -9.202 7.029 1.00 0.00 C ATOM 0 HA PRO A 383 23.619 -9.725 6.662 1.00 0.00 H new ATOM 0 HB2 PRO A 383 25.000 -11.918 7.633 1.00 0.00 H new ATOM 0 HB3 PRO A 383 25.189 -11.396 5.970 1.00 0.00 H new ATOM 0 HG2 PRO A 383 26.999 -10.942 8.317 1.00 0.00 H new ATOM 0 HG3 PRO A 383 27.415 -11.261 6.644 1.00 0.00 H new ATOM 0 HD2 PRO A 383 27.489 -8.719 7.765 1.00 0.00 H new ATOM 0 HD3 PRO A 383 27.276 -8.997 6.048 1.00 0.00 H new ATOM 633 N ALA A 384 22.752 -10.471 8.873 1.00 0.00 N ATOM 634 CA ALA A 384 22.116 -10.573 10.182 1.00 0.00 C ATOM 635 C ALA A 384 21.383 -11.903 10.319 1.00 0.00 C ATOM 636 O ALA A 384 21.419 -12.740 9.417 1.00 0.00 O ATOM 637 CB ALA A 384 21.128 -9.422 10.375 1.00 0.00 C ATOM 0 H ALA A 384 22.222 -10.889 8.109 1.00 0.00 H new ATOM 0 HA ALA A 384 22.891 -10.517 10.946 1.00 0.00 H new ATOM 0 HB1 ALA A 384 20.658 -9.506 11.355 1.00 0.00 H new ATOM 0 HB2 ALA A 384 21.658 -8.472 10.307 1.00 0.00 H new ATOM 0 HB3 ALA A 384 20.362 -9.466 9.600 1.00 0.00 H new ATOM 643 N TRP A 385 20.717 -12.093 11.454 1.00 0.00 N ATOM 644 CA TRP A 385 19.979 -13.327 11.698 1.00 0.00 C ATOM 645 C TRP A 385 20.930 -14.448 12.103 1.00 0.00 C ATOM 646 O TRP A 385 21.207 -15.293 11.267 1.00 0.00 O ATOM 647 CB TRP A 385 19.211 -13.734 10.439 1.00 0.00 C ATOM 648 CG TRP A 385 18.194 -14.770 10.790 1.00 0.00 C ATOM 649 CD1 TRP A 385 18.274 -16.081 10.462 1.00 0.00 C ATOM 650 CD2 TRP A 385 16.948 -14.610 11.528 1.00 0.00 C ATOM 651 NE1 TRP A 385 17.156 -16.733 10.950 1.00 0.00 N ATOM 652 CE2 TRP A 385 16.310 -15.869 11.617 1.00 0.00 C ATOM 653 CE3 TRP A 385 16.316 -13.503 12.125 1.00 0.00 C ATOM 654 CZ2 TRP A 385 15.089 -16.026 12.272 1.00 0.00 C ATOM 655 CZ3 TRP A 385 15.086 -13.658 12.786 1.00 0.00 C ATOM 656 CH2 TRP A 385 14.474 -14.917 12.860 1.00 0.00 C ATOM 0 H TRP A 385 20.673 -11.414 12.214 1.00 0.00 H new ATOM 0 HA TRP A 385 19.274 -13.153 12.511 1.00 0.00 H new ATOM 0 HB2 TRP A 385 18.723 -12.864 10.000 1.00 0.00 H new ATOM 0 HB3 TRP A 385 19.900 -14.124 9.690 1.00 0.00 H new ATOM 0 HD1 TRP A 385 19.079 -16.542 9.910 1.00 0.00 H new ATOM 0 HE1 TRP A 385 16.978 -17.730 10.832 1.00 0.00 H new ATOM 0 HE3 TRP A 385 16.779 -12.529 12.075 1.00 0.00 H new ATOM 0 HZ2 TRP A 385 14.622 -16.998 12.325 1.00 0.00 H new ATOM 0 HZ3 TRP A 385 14.609 -12.802 13.240 1.00 0.00 H new ATOM 0 HH2 TRP A 385 13.529 -15.030 13.370 1.00 0.00 H new TER 667 TRP A 385