USER MOD reduce.3.24.130724 H: found=0, std=0, add=336, rem=0, adj=6 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 380 ASN : amide:sc= -1.82! C(o=-2!,f=-2.2!) USER MOD Set 1.2: A 381 THR OG1 : rot 23:sc= -0.134! USER MOD Single : A 349 SER OG : rot 180:sc= 0 USER MOD Single : A 350 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 355 THR OG1 : rot 180:sc= 0 USER MOD Single : A 357 THR OG1 : rot 180:sc= 0 USER MOD Single : A 361 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 363 LYS NZ :NH3+ 152:sc= 0 (180deg=-0.384) USER MOD Single : A 364 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 368 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 371 ASN : amide:sc= -2.51! C(o=-2.5!,f=-1.7!) USER MOD Single : A 372 THR OG1 : rot 180:sc= 0 USER MOD Single : A 375 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 345 -30.262 8.305 -5.932 1.00 0.00 N ATOM 2 CA GLY A 345 -28.816 8.145 -5.603 1.00 0.00 C ATOM 3 C GLY A 345 -28.638 6.969 -4.650 1.00 0.00 C ATOM 4 O GLY A 345 -28.421 5.835 -5.078 1.00 0.00 O ATOM 0 HA2 GLY A 345 -28.241 7.979 -6.514 1.00 0.00 H new ATOM 0 HA3 GLY A 345 -28.433 9.058 -5.147 1.00 0.00 H new ATOM 8 N PRO A 346 -28.727 7.222 -3.373 1.00 0.00 N ATOM 9 CA PRO A 346 -28.574 6.170 -2.327 1.00 0.00 C ATOM 10 C PRO A 346 -29.783 5.241 -2.266 1.00 0.00 C ATOM 11 O PRO A 346 -30.561 5.281 -1.313 1.00 0.00 O ATOM 12 CB PRO A 346 -28.431 6.967 -1.029 1.00 0.00 C ATOM 13 CG PRO A 346 -29.106 8.274 -1.286 1.00 0.00 C ATOM 14 CD PRO A 346 -28.982 8.547 -2.788 1.00 0.00 C ATOM 0 HA PRO A 346 -27.725 5.516 -2.525 1.00 0.00 H new ATOM 0 HB2 PRO A 346 -28.896 6.443 -0.194 1.00 0.00 H new ATOM 0 HB3 PRO A 346 -27.382 7.111 -0.771 1.00 0.00 H new ATOM 0 HG2 PRO A 346 -30.153 8.234 -0.985 1.00 0.00 H new ATOM 0 HG3 PRO A 346 -28.638 9.071 -0.708 1.00 0.00 H new ATOM 0 HD2 PRO A 346 -29.893 8.991 -3.189 1.00 0.00 H new ATOM 0 HD3 PRO A 346 -28.168 9.240 -3.001 1.00 0.00 H new ATOM 22 N LEU A 347 -29.932 4.404 -3.287 1.00 0.00 N ATOM 23 CA LEU A 347 -31.050 3.469 -3.341 1.00 0.00 C ATOM 24 C LEU A 347 -30.593 2.120 -3.886 1.00 0.00 C ATOM 25 O LEU A 347 -30.649 1.875 -5.092 1.00 0.00 O ATOM 26 CB LEU A 347 -32.162 4.032 -4.228 1.00 0.00 C ATOM 27 CG LEU A 347 -33.505 3.897 -3.511 1.00 0.00 C ATOM 28 CD1 LEU A 347 -33.736 2.435 -3.128 1.00 0.00 C ATOM 29 CD2 LEU A 347 -33.495 4.759 -2.247 1.00 0.00 C ATOM 0 H LEU A 347 -29.297 4.354 -4.084 1.00 0.00 H new ATOM 0 HA LEU A 347 -31.431 3.329 -2.330 1.00 0.00 H new ATOM 0 HB2 LEU A 347 -31.964 5.079 -4.457 1.00 0.00 H new ATOM 0 HB3 LEU A 347 -32.190 3.498 -5.178 1.00 0.00 H new ATOM 0 HG LEU A 347 -34.305 4.229 -4.173 1.00 0.00 H new ATOM 0 HD11 LEU A 347 -34.694 2.340 -2.617 1.00 0.00 H new ATOM 0 HD12 LEU A 347 -33.742 1.820 -4.028 1.00 0.00 H new ATOM 0 HD13 LEU A 347 -32.937 2.102 -2.466 1.00 0.00 H new ATOM 0 HD21 LEU A 347 -34.452 4.664 -1.734 1.00 0.00 H new ATOM 0 HD22 LEU A 347 -32.695 4.426 -1.586 1.00 0.00 H new ATOM 0 HD23 LEU A 347 -33.331 5.802 -2.519 1.00 0.00 H new ATOM 41 N GLY A 348 -30.143 1.247 -2.991 1.00 0.00 N ATOM 42 CA GLY A 348 -29.680 -0.077 -3.394 1.00 0.00 C ATOM 43 C GLY A 348 -28.446 -0.487 -2.599 1.00 0.00 C ATOM 44 O GLY A 348 -27.407 0.169 -2.663 1.00 0.00 O ATOM 0 H GLY A 348 -30.089 1.430 -1.989 1.00 0.00 H new ATOM 0 HA2 GLY A 348 -30.475 -0.807 -3.241 1.00 0.00 H new ATOM 0 HA3 GLY A 348 -29.448 -0.077 -4.459 1.00 0.00 H new ATOM 48 N SER A 349 -28.567 -1.578 -1.850 1.00 0.00 N ATOM 49 CA SER A 349 -27.454 -2.068 -1.046 1.00 0.00 C ATOM 50 C SER A 349 -27.175 -3.536 -1.355 1.00 0.00 C ATOM 51 O SER A 349 -27.959 -4.415 -0.996 1.00 0.00 O ATOM 52 CB SER A 349 -27.774 -1.911 0.441 1.00 0.00 C ATOM 53 OG SER A 349 -26.925 -0.918 1.000 1.00 0.00 O ATOM 0 H SER A 349 -29.418 -2.136 -1.783 1.00 0.00 H new ATOM 0 HA SER A 349 -26.569 -1.481 -1.291 1.00 0.00 H new ATOM 0 HB2 SER A 349 -28.819 -1.629 0.573 1.00 0.00 H new ATOM 0 HB3 SER A 349 -27.632 -2.860 0.958 1.00 0.00 H new ATOM 0 HG SER A 349 -27.128 -0.813 1.953 1.00 0.00 H new ATOM 59 N MET A 350 -26.055 -3.793 -2.022 1.00 0.00 N ATOM 60 CA MET A 350 -25.683 -5.158 -2.374 1.00 0.00 C ATOM 61 C MET A 350 -24.617 -5.159 -3.465 1.00 0.00 C ATOM 62 O MET A 350 -23.580 -5.810 -3.335 1.00 0.00 O ATOM 63 CB MET A 350 -26.914 -5.927 -2.859 1.00 0.00 C ATOM 64 CG MET A 350 -27.357 -6.915 -1.780 1.00 0.00 C ATOM 65 SD MET A 350 -27.329 -8.595 -2.453 1.00 0.00 S ATOM 66 CE MET A 350 -25.631 -9.001 -1.976 1.00 0.00 C ATOM 0 H MET A 350 -25.393 -3.080 -2.328 1.00 0.00 H new ATOM 0 HA MET A 350 -25.278 -5.644 -1.486 1.00 0.00 H new ATOM 0 HB2 MET A 350 -27.723 -5.233 -3.086 1.00 0.00 H new ATOM 0 HB3 MET A 350 -26.683 -6.459 -3.782 1.00 0.00 H new ATOM 0 HG2 MET A 350 -26.696 -6.847 -0.916 1.00 0.00 H new ATOM 0 HG3 MET A 350 -28.360 -6.667 -1.434 1.00 0.00 H new ATOM 0 HE1 MET A 350 -25.395 -10.015 -2.299 1.00 0.00 H new ATOM 0 HE2 MET A 350 -24.943 -8.300 -2.448 1.00 0.00 H new ATOM 0 HE3 MET A 350 -25.531 -8.933 -0.893 1.00 0.00 H new ATOM 76 N PRO A 351 -24.858 -4.442 -4.529 1.00 0.00 N ATOM 77 CA PRO A 351 -23.906 -4.349 -5.673 1.00 0.00 C ATOM 78 C PRO A 351 -22.477 -4.075 -5.210 1.00 0.00 C ATOM 79 O PRO A 351 -22.196 -4.049 -4.012 1.00 0.00 O ATOM 80 CB PRO A 351 -24.447 -3.183 -6.501 1.00 0.00 C ATOM 81 CG PRO A 351 -25.902 -3.106 -6.179 1.00 0.00 C ATOM 82 CD PRO A 351 -26.070 -3.641 -4.754 1.00 0.00 C ATOM 0 HA PRO A 351 -23.846 -5.282 -6.234 1.00 0.00 H new ATOM 0 HB2 PRO A 351 -23.939 -2.253 -6.247 1.00 0.00 H new ATOM 0 HB3 PRO A 351 -24.289 -3.352 -7.566 1.00 0.00 H new ATOM 0 HG2 PRO A 351 -26.260 -2.079 -6.251 1.00 0.00 H new ATOM 0 HG3 PRO A 351 -26.486 -3.697 -6.885 1.00 0.00 H new ATOM 0 HD2 PRO A 351 -26.152 -2.830 -4.030 1.00 0.00 H new ATOM 0 HD3 PRO A 351 -26.972 -4.246 -4.659 1.00 0.00 H new ATOM 90 N LEU A 352 -21.579 -3.870 -6.169 1.00 0.00 N ATOM 91 CA LEU A 352 -20.183 -3.599 -5.850 1.00 0.00 C ATOM 92 C LEU A 352 -19.946 -2.097 -5.722 1.00 0.00 C ATOM 93 O LEU A 352 -19.213 -1.506 -6.515 1.00 0.00 O ATOM 94 CB LEU A 352 -19.276 -4.171 -6.941 1.00 0.00 C ATOM 95 CG LEU A 352 -19.797 -3.741 -8.315 1.00 0.00 C ATOM 96 CD1 LEU A 352 -18.626 -3.277 -9.182 1.00 0.00 C ATOM 97 CD2 LEU A 352 -20.491 -4.926 -8.988 1.00 0.00 C ATOM 0 H LEU A 352 -21.792 -3.886 -7.166 1.00 0.00 H new ATOM 0 HA LEU A 352 -19.948 -4.075 -4.898 1.00 0.00 H new ATOM 0 HB2 LEU A 352 -18.254 -3.819 -6.801 1.00 0.00 H new ATOM 0 HB3 LEU A 352 -19.250 -5.259 -6.874 1.00 0.00 H new ATOM 0 HG LEU A 352 -20.507 -2.922 -8.196 1.00 0.00 H new ATOM 0 HD11 LEU A 352 -18.997 -2.971 -10.160 1.00 0.00 H new ATOM 0 HD12 LEU A 352 -18.129 -2.434 -8.702 1.00 0.00 H new ATOM 0 HD13 LEU A 352 -17.916 -4.095 -9.303 1.00 0.00 H new ATOM 0 HD21 LEU A 352 -20.863 -4.622 -9.967 1.00 0.00 H new ATOM 0 HD22 LEU A 352 -19.780 -5.744 -9.108 1.00 0.00 H new ATOM 0 HD23 LEU A 352 -21.325 -5.258 -8.370 1.00 0.00 H new ATOM 109 N LEU A 353 -20.570 -1.488 -4.720 1.00 0.00 N ATOM 110 CA LEU A 353 -20.419 -0.054 -4.498 1.00 0.00 C ATOM 111 C LEU A 353 -19.227 0.223 -3.593 1.00 0.00 C ATOM 112 O LEU A 353 -19.169 1.248 -2.915 1.00 0.00 O ATOM 113 CB LEU A 353 -21.685 0.511 -3.859 1.00 0.00 C ATOM 114 CG LEU A 353 -22.304 1.559 -4.786 1.00 0.00 C ATOM 115 CD1 LEU A 353 -23.031 0.860 -5.936 1.00 0.00 C ATOM 116 CD2 LEU A 353 -23.300 2.411 -3.996 1.00 0.00 C ATOM 0 H LEU A 353 -21.181 -1.960 -4.053 1.00 0.00 H new ATOM 0 HA LEU A 353 -20.252 0.428 -5.461 1.00 0.00 H new ATOM 0 HB2 LEU A 353 -22.399 -0.291 -3.672 1.00 0.00 H new ATOM 0 HB3 LEU A 353 -21.449 0.959 -2.894 1.00 0.00 H new ATOM 0 HG LEU A 353 -21.518 2.197 -5.190 1.00 0.00 H new ATOM 0 HD11 LEU A 353 -23.472 1.607 -6.596 1.00 0.00 H new ATOM 0 HD12 LEU A 353 -22.322 0.252 -6.498 1.00 0.00 H new ATOM 0 HD13 LEU A 353 -23.818 0.222 -5.534 1.00 0.00 H new ATOM 0 HD21 LEU A 353 -23.742 3.158 -4.655 1.00 0.00 H new ATOM 0 HD22 LEU A 353 -24.086 1.772 -3.593 1.00 0.00 H new ATOM 0 HD23 LEU A 353 -22.782 2.910 -3.177 1.00 0.00 H new ATOM 128 N GLU A 354 -18.277 -0.701 -3.591 1.00 0.00 N ATOM 129 CA GLU A 354 -17.084 -0.559 -2.768 1.00 0.00 C ATOM 130 C GLU A 354 -15.894 -0.131 -3.623 1.00 0.00 C ATOM 131 O GLU A 354 -16.014 0.749 -4.474 1.00 0.00 O ATOM 132 CB GLU A 354 -16.768 -1.885 -2.075 1.00 0.00 C ATOM 133 CG GLU A 354 -17.951 -2.296 -1.197 1.00 0.00 C ATOM 134 CD GLU A 354 -17.457 -2.691 0.191 1.00 0.00 C ATOM 135 OE1 GLU A 354 -16.688 -3.634 0.280 1.00 0.00 O ATOM 136 OE2 GLU A 354 -17.855 -2.044 1.146 1.00 0.00 O ATOM 0 H GLU A 354 -18.308 -1.555 -4.148 1.00 0.00 H new ATOM 0 HA GLU A 354 -17.271 0.207 -2.016 1.00 0.00 H new ATOM 0 HB2 GLU A 354 -16.567 -2.657 -2.818 1.00 0.00 H new ATOM 0 HB3 GLU A 354 -15.868 -1.785 -1.468 1.00 0.00 H new ATOM 0 HG2 GLU A 354 -18.660 -1.472 -1.119 1.00 0.00 H new ATOM 0 HG3 GLU A 354 -18.482 -3.131 -1.655 1.00 0.00 H new ATOM 143 N THR A 355 -14.748 -0.760 -3.389 1.00 0.00 N ATOM 144 CA THR A 355 -13.542 -0.437 -4.142 1.00 0.00 C ATOM 145 C THR A 355 -12.843 0.778 -3.539 1.00 0.00 C ATOM 146 O THR A 355 -13.390 1.451 -2.666 1.00 0.00 O ATOM 147 CB THR A 355 -13.900 -0.152 -5.603 1.00 0.00 C ATOM 148 OG1 THR A 355 -12.980 -0.822 -6.453 1.00 0.00 O ATOM 149 CG2 THR A 355 -13.833 1.355 -5.861 1.00 0.00 C ATOM 0 H THR A 355 -14.629 -1.492 -2.689 1.00 0.00 H new ATOM 0 HA THR A 355 -12.866 -1.290 -4.094 1.00 0.00 H new ATOM 0 HB THR A 355 -14.910 -0.509 -5.807 1.00 0.00 H new ATOM 0 HG1 THR A 355 -13.209 -0.642 -7.389 1.00 0.00 H new ATOM 0 HG21 THR A 355 -14.088 1.558 -6.901 1.00 0.00 H new ATOM 0 HG22 THR A 355 -14.539 1.868 -5.208 1.00 0.00 H new ATOM 0 HG23 THR A 355 -12.824 1.714 -5.658 1.00 0.00 H new ATOM 157 N LEU A 356 -11.633 1.052 -4.013 1.00 0.00 N ATOM 158 CA LEU A 356 -10.867 2.187 -3.515 1.00 0.00 C ATOM 159 C LEU A 356 -10.731 3.254 -4.593 1.00 0.00 C ATOM 160 O LEU A 356 -11.480 3.268 -5.569 1.00 0.00 O ATOM 161 CB LEU A 356 -9.480 1.725 -3.075 1.00 0.00 C ATOM 162 CG LEU A 356 -9.598 0.411 -2.302 1.00 0.00 C ATOM 163 CD1 LEU A 356 -8.203 -0.094 -1.934 1.00 0.00 C ATOM 164 CD2 LEU A 356 -10.410 0.643 -1.026 1.00 0.00 C ATOM 0 H LEU A 356 -11.164 0.507 -4.737 1.00 0.00 H new ATOM 0 HA LEU A 356 -11.396 2.613 -2.662 1.00 0.00 H new ATOM 0 HB2 LEU A 356 -8.838 1.590 -3.945 1.00 0.00 H new ATOM 0 HB3 LEU A 356 -9.014 2.486 -2.449 1.00 0.00 H new ATOM 0 HG LEU A 356 -10.099 -0.332 -2.923 1.00 0.00 H new ATOM 0 HD11 LEU A 356 -8.289 -1.031 -1.383 1.00 0.00 H new ATOM 0 HD12 LEU A 356 -7.624 -0.259 -2.843 1.00 0.00 H new ATOM 0 HD13 LEU A 356 -7.700 0.647 -1.313 1.00 0.00 H new ATOM 0 HD21 LEU A 356 -10.495 -0.293 -0.474 1.00 0.00 H new ATOM 0 HD22 LEU A 356 -9.909 1.386 -0.406 1.00 0.00 H new ATOM 0 HD23 LEU A 356 -11.405 1.001 -1.288 1.00 0.00 H new ATOM 176 N THR A 357 -9.767 4.148 -4.408 1.00 0.00 N ATOM 177 CA THR A 357 -9.534 5.220 -5.368 1.00 0.00 C ATOM 178 C THR A 357 -8.085 5.210 -5.844 1.00 0.00 C ATOM 179 O THR A 357 -7.360 4.239 -5.631 1.00 0.00 O ATOM 180 CB THR A 357 -9.854 6.573 -4.726 1.00 0.00 C ATOM 181 OG1 THR A 357 -9.542 6.524 -3.341 1.00 0.00 O ATOM 182 CG2 THR A 357 -11.340 6.888 -4.907 1.00 0.00 C ATOM 0 H THR A 357 -9.137 4.152 -3.606 1.00 0.00 H new ATOM 0 HA THR A 357 -10.186 5.061 -6.227 1.00 0.00 H new ATOM 0 HB THR A 357 -9.260 7.352 -5.204 1.00 0.00 H new ATOM 0 HG1 THR A 357 -9.745 7.390 -2.929 1.00 0.00 H new ATOM 0 HG21 THR A 357 -11.566 7.851 -4.450 1.00 0.00 H new ATOM 0 HG22 THR A 357 -11.577 6.927 -5.970 1.00 0.00 H new ATOM 0 HG23 THR A 357 -11.937 6.111 -4.430 1.00 0.00 H new ATOM 190 N ASP A 358 -7.672 6.295 -6.488 1.00 0.00 N ATOM 191 CA ASP A 358 -6.307 6.399 -6.989 1.00 0.00 C ATOM 192 C ASP A 358 -5.330 6.625 -5.842 1.00 0.00 C ATOM 193 O ASP A 358 -4.152 6.279 -5.937 1.00 0.00 O ATOM 194 CB ASP A 358 -6.203 7.554 -7.989 1.00 0.00 C ATOM 195 CG ASP A 358 -6.311 7.021 -9.414 1.00 0.00 C ATOM 196 OD1 ASP A 358 -6.852 5.942 -9.582 1.00 0.00 O ATOM 197 OD2 ASP A 358 -5.849 7.702 -10.316 1.00 0.00 O ATOM 0 H ASP A 358 -8.257 7.109 -6.675 1.00 0.00 H new ATOM 0 HA ASP A 358 -6.051 5.464 -7.488 1.00 0.00 H new ATOM 0 HB2 ASP A 358 -6.994 8.280 -7.802 1.00 0.00 H new ATOM 0 HB3 ASP A 358 -5.255 8.075 -7.858 1.00 0.00 H new ATOM 202 N ALA A 359 -5.831 7.208 -4.763 1.00 0.00 N ATOM 203 CA ALA A 359 -5.000 7.481 -3.596 1.00 0.00 C ATOM 204 C ALA A 359 -4.576 6.180 -2.924 1.00 0.00 C ATOM 205 O ALA A 359 -3.399 5.979 -2.620 1.00 0.00 O ATOM 206 CB ALA A 359 -5.769 8.347 -2.597 1.00 0.00 C ATOM 0 H ALA A 359 -6.804 7.501 -4.670 1.00 0.00 H new ATOM 0 HA ALA A 359 -4.108 8.014 -3.926 1.00 0.00 H new ATOM 0 HB1 ALA A 359 -5.141 8.546 -1.729 1.00 0.00 H new ATOM 0 HB2 ALA A 359 -6.044 9.290 -3.069 1.00 0.00 H new ATOM 0 HB3 ALA A 359 -6.671 7.823 -2.280 1.00 0.00 H new ATOM 212 N GLU A 360 -5.542 5.295 -2.696 1.00 0.00 N ATOM 213 CA GLU A 360 -5.259 4.016 -2.059 1.00 0.00 C ATOM 214 C GLU A 360 -4.278 3.203 -2.896 1.00 0.00 C ATOM 215 O GLU A 360 -3.317 2.640 -2.371 1.00 0.00 O ATOM 216 CB GLU A 360 -6.554 3.229 -1.879 1.00 0.00 C ATOM 217 CG GLU A 360 -7.198 3.601 -0.541 1.00 0.00 C ATOM 218 CD GLU A 360 -7.609 2.340 0.209 1.00 0.00 C ATOM 219 OE1 GLU A 360 -8.800 2.136 0.378 1.00 0.00 O ATOM 220 OE2 GLU A 360 -6.725 1.597 0.607 1.00 0.00 O ATOM 0 H GLU A 360 -6.521 5.440 -2.942 1.00 0.00 H new ATOM 0 HA GLU A 360 -4.811 4.208 -1.084 1.00 0.00 H new ATOM 0 HB2 GLU A 360 -7.240 3.446 -2.697 1.00 0.00 H new ATOM 0 HB3 GLU A 360 -6.349 2.159 -1.911 1.00 0.00 H new ATOM 0 HG2 GLU A 360 -6.497 4.180 0.061 1.00 0.00 H new ATOM 0 HG3 GLU A 360 -8.070 4.233 -0.711 1.00 0.00 H new ATOM 227 N MET A 361 -4.526 3.148 -4.200 1.00 0.00 N ATOM 228 CA MET A 361 -3.656 2.400 -5.102 1.00 0.00 C ATOM 229 C MET A 361 -2.242 2.973 -5.079 1.00 0.00 C ATOM 230 O MET A 361 -1.263 2.232 -4.982 1.00 0.00 O ATOM 231 CB MET A 361 -4.209 2.455 -6.527 1.00 0.00 C ATOM 232 CG MET A 361 -3.482 3.546 -7.315 1.00 0.00 C ATOM 233 SD MET A 361 -4.062 3.538 -9.029 1.00 0.00 S ATOM 234 CE MET A 361 -2.775 2.457 -9.700 1.00 0.00 C ATOM 0 H MET A 361 -5.315 3.608 -4.654 1.00 0.00 H new ATOM 0 HA MET A 361 -3.621 1.363 -4.767 1.00 0.00 H new ATOM 0 HB2 MET A 361 -4.079 1.490 -7.017 1.00 0.00 H new ATOM 0 HB3 MET A 361 -5.279 2.659 -6.505 1.00 0.00 H new ATOM 0 HG2 MET A 361 -3.665 4.520 -6.862 1.00 0.00 H new ATOM 0 HG3 MET A 361 -2.406 3.377 -7.283 1.00 0.00 H new ATOM 0 HE1 MET A 361 -2.941 2.313 -10.768 1.00 0.00 H new ATOM 0 HE2 MET A 361 -1.798 2.914 -9.543 1.00 0.00 H new ATOM 0 HE3 MET A 361 -2.810 1.492 -9.194 1.00 0.00 H new ATOM 244 N GLU A 362 -2.144 4.296 -5.168 1.00 0.00 N ATOM 245 CA GLU A 362 -0.845 4.958 -5.156 1.00 0.00 C ATOM 246 C GLU A 362 -0.197 4.840 -3.779 1.00 0.00 C ATOM 247 O GLU A 362 1.027 4.807 -3.659 1.00 0.00 O ATOM 248 CB GLU A 362 -1.008 6.434 -5.520 1.00 0.00 C ATOM 249 CG GLU A 362 -1.392 6.556 -6.997 1.00 0.00 C ATOM 250 CD GLU A 362 -0.314 5.924 -7.869 1.00 0.00 C ATOM 251 OE1 GLU A 362 0.843 5.975 -7.480 1.00 0.00 O ATOM 252 OE2 GLU A 362 -0.658 5.398 -8.915 1.00 0.00 O ATOM 0 H GLU A 362 -2.942 4.926 -5.249 1.00 0.00 H new ATOM 0 HA GLU A 362 -0.203 4.472 -5.891 1.00 0.00 H new ATOM 0 HB2 GLU A 362 -1.775 6.891 -4.895 1.00 0.00 H new ATOM 0 HB3 GLU A 362 -0.079 6.971 -5.329 1.00 0.00 H new ATOM 0 HG2 GLU A 362 -2.349 6.065 -7.174 1.00 0.00 H new ATOM 0 HG3 GLU A 362 -1.518 7.605 -7.263 1.00 0.00 H new ATOM 259 N LYS A 363 -1.028 4.775 -2.744 1.00 0.00 N ATOM 260 CA LYS A 363 -0.528 4.660 -1.380 1.00 0.00 C ATOM 261 C LYS A 363 0.177 3.323 -1.179 1.00 0.00 C ATOM 262 O LYS A 363 1.297 3.270 -0.669 1.00 0.00 O ATOM 263 CB LYS A 363 -1.684 4.784 -0.386 1.00 0.00 C ATOM 264 CG LYS A 363 -1.357 5.864 0.647 1.00 0.00 C ATOM 265 CD LYS A 363 -0.863 5.207 1.936 1.00 0.00 C ATOM 266 CE LYS A 363 0.279 4.241 1.611 1.00 0.00 C ATOM 267 NZ LYS A 363 0.899 3.759 2.879 1.00 0.00 N ATOM 0 H LYS A 363 -2.045 4.800 -2.823 1.00 0.00 H new ATOM 0 HA LYS A 363 0.186 5.465 -1.207 1.00 0.00 H new ATOM 0 HB2 LYS A 363 -2.604 5.036 -0.912 1.00 0.00 H new ATOM 0 HB3 LYS A 363 -1.853 3.829 0.112 1.00 0.00 H new ATOM 0 HG2 LYS A 363 -0.595 6.538 0.255 1.00 0.00 H new ATOM 0 HG3 LYS A 363 -2.242 6.467 0.850 1.00 0.00 H new ATOM 0 HD2 LYS A 363 -0.521 5.968 2.637 1.00 0.00 H new ATOM 0 HD3 LYS A 363 -1.680 4.672 2.420 1.00 0.00 H new ATOM 0 HE2 LYS A 363 -0.098 3.396 1.034 1.00 0.00 H new ATOM 0 HE3 LYS A 363 1.027 4.740 0.995 1.00 0.00 H new ATOM 0 HZ1 LYS A 363 1.306 2.814 2.729 1.00 0.00 H new ATOM 0 HZ2 LYS A 363 1.650 4.417 3.170 1.00 0.00 H new ATOM 0 HZ3 LYS A 363 0.174 3.710 3.623 1.00 0.00 H new ATOM 281 N LYS A 364 -0.485 2.243 -1.585 1.00 0.00 N ATOM 282 CA LYS A 364 0.087 0.909 -1.444 1.00 0.00 C ATOM 283 C LYS A 364 1.288 0.741 -2.369 1.00 0.00 C ATOM 284 O LYS A 364 2.337 0.246 -1.959 1.00 0.00 O ATOM 285 CB LYS A 364 -0.967 -0.148 -1.775 1.00 0.00 C ATOM 286 CG LYS A 364 -1.545 0.124 -3.166 1.00 0.00 C ATOM 287 CD LYS A 364 -2.644 -0.899 -3.471 1.00 0.00 C ATOM 288 CE LYS A 364 -2.568 -1.306 -4.942 1.00 0.00 C ATOM 289 NZ LYS A 364 -3.129 -2.676 -5.108 1.00 0.00 N ATOM 0 H LYS A 364 -1.411 2.265 -2.011 1.00 0.00 H new ATOM 0 HA LYS A 364 0.417 0.782 -0.413 1.00 0.00 H new ATOM 0 HB2 LYS A 364 -0.522 -1.143 -1.743 1.00 0.00 H new ATOM 0 HB3 LYS A 364 -1.762 -0.130 -1.029 1.00 0.00 H new ATOM 0 HG2 LYS A 364 -1.951 1.135 -3.212 1.00 0.00 H new ATOM 0 HG3 LYS A 364 -0.758 0.063 -3.917 1.00 0.00 H new ATOM 0 HD2 LYS A 364 -2.527 -1.775 -2.834 1.00 0.00 H new ATOM 0 HD3 LYS A 364 -3.623 -0.473 -3.251 1.00 0.00 H new ATOM 0 HE2 LYS A 364 -3.124 -0.597 -5.556 1.00 0.00 H new ATOM 0 HE3 LYS A 364 -1.533 -1.281 -5.284 1.00 0.00 H new ATOM 0 HZ1 LYS A 364 -3.077 -2.953 -6.109 1.00 0.00 H new ATOM 0 HZ2 LYS A 364 -2.580 -3.348 -4.534 1.00 0.00 H new ATOM 0 HZ3 LYS A 364 -4.121 -2.685 -4.797 1.00 0.00 H new ATOM 303 N ILE A 365 1.126 1.157 -3.623 1.00 0.00 N ATOM 304 CA ILE A 365 2.203 1.046 -4.598 1.00 0.00 C ATOM 305 C ILE A 365 3.444 1.788 -4.115 1.00 0.00 C ATOM 306 O ILE A 365 4.557 1.263 -4.175 1.00 0.00 O ATOM 307 CB ILE A 365 1.752 1.622 -5.939 1.00 0.00 C ATOM 308 CG1 ILE A 365 0.974 0.557 -6.714 1.00 0.00 C ATOM 309 CG2 ILE A 365 2.977 2.049 -6.751 1.00 0.00 C ATOM 310 CD1 ILE A 365 1.340 0.633 -8.197 1.00 0.00 C ATOM 0 H ILE A 365 0.266 1.570 -3.984 1.00 0.00 H new ATOM 0 HA ILE A 365 2.450 -0.009 -4.719 1.00 0.00 H new ATOM 0 HB ILE A 365 1.112 2.487 -5.765 1.00 0.00 H new ATOM 0 HG12 ILE A 365 1.205 -0.434 -6.322 1.00 0.00 H new ATOM 0 HG13 ILE A 365 -0.098 0.709 -6.585 1.00 0.00 H new ATOM 0 HG21 ILE A 365 2.654 2.460 -7.708 1.00 0.00 H new ATOM 0 HG22 ILE A 365 3.533 2.807 -6.199 1.00 0.00 H new ATOM 0 HG23 ILE A 365 3.618 1.184 -6.925 1.00 0.00 H new ATOM 0 HD11 ILE A 365 0.785 -0.126 -8.748 1.00 0.00 H new ATOM 0 HD12 ILE A 365 1.087 1.620 -8.584 1.00 0.00 H new ATOM 0 HD13 ILE A 365 2.409 0.460 -8.317 1.00 0.00 H new ATOM 322 N ARG A 366 3.245 3.010 -3.636 1.00 0.00 N ATOM 323 CA ARG A 366 4.356 3.817 -3.143 1.00 0.00 C ATOM 324 C ARG A 366 4.984 3.170 -1.914 1.00 0.00 C ATOM 325 O ARG A 366 6.207 3.100 -1.793 1.00 0.00 O ATOM 326 CB ARG A 366 3.864 5.222 -2.787 1.00 0.00 C ATOM 327 CG ARG A 366 3.578 5.299 -1.286 1.00 0.00 C ATOM 328 CD ARG A 366 2.926 6.643 -0.958 1.00 0.00 C ATOM 329 NE ARG A 366 3.528 7.704 -1.758 1.00 0.00 N ATOM 330 CZ ARG A 366 3.559 8.959 -1.322 1.00 0.00 C ATOM 331 NH1 ARG A 366 3.046 9.259 -0.161 1.00 0.00 N ATOM 332 NH2 ARG A 366 4.102 9.892 -2.056 1.00 0.00 N ATOM 0 H ARG A 366 2.332 3.462 -3.578 1.00 0.00 H new ATOM 0 HA ARG A 366 5.108 3.884 -3.929 1.00 0.00 H new ATOM 0 HB2 ARG A 366 4.615 5.962 -3.063 1.00 0.00 H new ATOM 0 HB3 ARG A 366 2.962 5.457 -3.352 1.00 0.00 H new ATOM 0 HG2 ARG A 366 2.921 4.482 -0.988 1.00 0.00 H new ATOM 0 HG3 ARG A 366 4.504 5.185 -0.722 1.00 0.00 H new ATOM 0 HD2 ARG A 366 1.855 6.593 -1.154 1.00 0.00 H new ATOM 0 HD3 ARG A 366 3.046 6.865 0.102 1.00 0.00 H new ATOM 0 HE ARG A 366 3.932 7.479 -2.667 1.00 0.00 H new ATOM 0 HH11 ARG A 366 2.621 8.530 0.412 1.00 0.00 H new ATOM 0 HH12 ARG A 366 3.070 10.222 0.174 1.00 0.00 H new ATOM 0 HH21 ARG A 366 4.503 9.658 -2.964 1.00 0.00 H new ATOM 0 HH22 ARG A 366 4.126 10.855 -1.721 1.00 0.00 H new ATOM 346 N ASP A 367 4.139 2.697 -1.005 1.00 0.00 N ATOM 347 CA ASP A 367 4.620 2.056 0.212 1.00 0.00 C ATOM 348 C ASP A 367 5.373 0.771 -0.121 1.00 0.00 C ATOM 349 O ASP A 367 6.455 0.520 0.405 1.00 0.00 O ATOM 350 CB ASP A 367 3.444 1.735 1.135 1.00 0.00 C ATOM 351 CG ASP A 367 3.942 1.524 2.561 1.00 0.00 C ATOM 352 OD1 ASP A 367 4.137 0.379 2.936 1.00 0.00 O ATOM 353 OD2 ASP A 367 4.122 2.509 3.257 1.00 0.00 O ATOM 0 H ASP A 367 3.123 2.745 -1.087 1.00 0.00 H new ATOM 0 HA ASP A 367 5.300 2.743 0.717 1.00 0.00 H new ATOM 0 HB2 ASP A 367 2.719 2.549 1.111 1.00 0.00 H new ATOM 0 HB3 ASP A 367 2.930 0.840 0.785 1.00 0.00 H new ATOM 358 N GLN A 368 4.790 -0.037 -1.001 1.00 0.00 N ATOM 359 CA GLN A 368 5.415 -1.294 -1.398 1.00 0.00 C ATOM 360 C GLN A 368 6.674 -1.029 -2.212 1.00 0.00 C ATOM 361 O GLN A 368 7.599 -1.842 -2.231 1.00 0.00 O ATOM 362 CB GLN A 368 4.434 -2.129 -2.223 1.00 0.00 C ATOM 363 CG GLN A 368 4.371 -3.551 -1.657 1.00 0.00 C ATOM 364 CD GLN A 368 4.392 -4.565 -2.794 1.00 0.00 C ATOM 365 OE1 GLN A 368 5.447 -4.827 -3.374 1.00 0.00 O ATOM 366 NE2 GLN A 368 3.284 -5.157 -3.150 1.00 0.00 N ATOM 0 H GLN A 368 3.894 0.153 -1.449 1.00 0.00 H new ATOM 0 HA GLN A 368 5.688 -1.844 -0.497 1.00 0.00 H new ATOM 0 HB2 GLN A 368 3.444 -1.673 -2.201 1.00 0.00 H new ATOM 0 HB3 GLN A 368 4.750 -2.155 -3.266 1.00 0.00 H new ATOM 0 HG2 GLN A 368 5.215 -3.723 -0.989 1.00 0.00 H new ATOM 0 HG3 GLN A 368 3.465 -3.676 -1.064 1.00 0.00 H new ATOM 0 HE21 GLN A 368 2.412 -4.939 -2.669 1.00 0.00 H new ATOM 0 HE22 GLN A 368 3.291 -5.838 -3.910 1.00 0.00 H new ATOM 375 N ASP A 369 6.702 0.114 -2.884 1.00 0.00 N ATOM 376 CA ASP A 369 7.852 0.485 -3.699 1.00 0.00 C ATOM 377 C ASP A 369 9.018 0.908 -2.814 1.00 0.00 C ATOM 378 O ASP A 369 10.172 0.579 -3.091 1.00 0.00 O ATOM 379 CB ASP A 369 7.478 1.633 -4.640 1.00 0.00 C ATOM 380 CG ASP A 369 8.741 2.291 -5.186 1.00 0.00 C ATOM 381 OD1 ASP A 369 8.846 3.502 -5.084 1.00 0.00 O ATOM 382 OD2 ASP A 369 9.584 1.574 -5.699 1.00 0.00 O ATOM 0 H ASP A 369 5.945 0.798 -2.882 1.00 0.00 H new ATOM 0 HA ASP A 369 8.153 -0.382 -4.288 1.00 0.00 H new ATOM 0 HB2 ASP A 369 6.869 1.257 -5.462 1.00 0.00 H new ATOM 0 HB3 ASP A 369 6.875 2.369 -4.108 1.00 0.00 H new ATOM 387 N ARG A 370 8.707 1.633 -1.750 1.00 0.00 N ATOM 388 CA ARG A 370 9.733 2.096 -0.824 1.00 0.00 C ATOM 389 C ARG A 370 10.257 0.933 0.014 1.00 0.00 C ATOM 390 O ARG A 370 11.452 0.846 0.295 1.00 0.00 O ATOM 391 CB ARG A 370 9.159 3.175 0.098 1.00 0.00 C ATOM 392 CG ARG A 370 9.081 4.503 -0.658 1.00 0.00 C ATOM 393 CD ARG A 370 8.853 5.643 0.335 1.00 0.00 C ATOM 394 NE ARG A 370 7.750 5.319 1.232 1.00 0.00 N ATOM 395 CZ ARG A 370 7.032 6.275 1.811 1.00 0.00 C ATOM 396 NH1 ARG A 370 7.310 7.530 1.581 1.00 0.00 N ATOM 397 NH2 ARG A 370 6.050 5.961 2.610 1.00 0.00 N ATOM 0 H ARG A 370 7.757 1.913 -1.506 1.00 0.00 H new ATOM 0 HA ARG A 370 10.557 2.516 -1.402 1.00 0.00 H new ATOM 0 HB2 ARG A 370 8.168 2.883 0.444 1.00 0.00 H new ATOM 0 HB3 ARG A 370 9.786 3.284 0.983 1.00 0.00 H new ATOM 0 HG2 ARG A 370 10.003 4.671 -1.215 1.00 0.00 H new ATOM 0 HG3 ARG A 370 8.270 4.472 -1.385 1.00 0.00 H new ATOM 0 HD2 ARG A 370 9.761 5.819 0.912 1.00 0.00 H new ATOM 0 HD3 ARG A 370 8.634 6.565 -0.203 1.00 0.00 H new ATOM 0 HE ARG A 370 7.526 4.341 1.418 1.00 0.00 H new ATOM 0 HH11 ARG A 370 8.078 7.776 0.957 1.00 0.00 H new ATOM 0 HH12 ARG A 370 6.759 8.264 2.025 1.00 0.00 H new ATOM 0 HH21 ARG A 370 5.833 4.981 2.791 1.00 0.00 H new ATOM 0 HH22 ARG A 370 5.499 6.696 3.054 1.00 0.00 H new ATOM 411 N ASN A 371 9.353 0.043 0.408 1.00 0.00 N ATOM 412 CA ASN A 371 9.735 -1.113 1.212 1.00 0.00 C ATOM 413 C ASN A 371 10.585 -2.077 0.392 1.00 0.00 C ATOM 414 O ASN A 371 11.651 -2.507 0.829 1.00 0.00 O ATOM 415 CB ASN A 371 8.484 -1.834 1.717 1.00 0.00 C ATOM 416 CG ASN A 371 8.446 -3.257 1.170 1.00 0.00 C ATOM 417 OD1 ASN A 371 8.837 -4.198 1.861 1.00 0.00 O ATOM 418 ND2 ASN A 371 7.997 -3.472 -0.036 1.00 0.00 N ATOM 0 H ASN A 371 8.359 0.098 0.186 1.00 0.00 H new ATOM 0 HA ASN A 371 10.320 -0.764 2.063 1.00 0.00 H new ATOM 0 HB2 ASN A 371 8.481 -1.854 2.807 1.00 0.00 H new ATOM 0 HB3 ASN A 371 7.591 -1.292 1.406 1.00 0.00 H new ATOM 0 HD21 ASN A 371 7.969 -4.421 -0.408 1.00 0.00 H new ATOM 0 HD22 ASN A 371 7.674 -2.691 -0.607 1.00 0.00 H new ATOM 425 N THR A 372 10.104 -2.413 -0.802 1.00 0.00 N ATOM 426 CA THR A 372 10.830 -3.329 -1.675 1.00 0.00 C ATOM 427 C THR A 372 12.172 -2.727 -2.082 1.00 0.00 C ATOM 428 O THR A 372 13.204 -3.396 -2.028 1.00 0.00 O ATOM 429 CB THR A 372 10.002 -3.625 -2.927 1.00 0.00 C ATOM 430 OG1 THR A 372 9.527 -4.964 -2.872 1.00 0.00 O ATOM 431 CG2 THR A 372 10.869 -3.440 -4.173 1.00 0.00 C ATOM 0 H THR A 372 9.223 -2.068 -1.184 1.00 0.00 H new ATOM 0 HA THR A 372 11.008 -4.256 -1.131 1.00 0.00 H new ATOM 0 HB THR A 372 9.156 -2.939 -2.973 1.00 0.00 H new ATOM 0 HG1 THR A 372 8.995 -5.155 -3.672 1.00 0.00 H new ATOM 0 HG21 THR A 372 10.277 -3.652 -5.063 1.00 0.00 H new ATOM 0 HG22 THR A 372 11.232 -2.413 -4.214 1.00 0.00 H new ATOM 0 HG23 THR A 372 11.717 -4.123 -4.131 1.00 0.00 H new ATOM 439 N ARG A 373 12.149 -1.462 -2.488 1.00 0.00 N ATOM 440 CA ARG A 373 13.371 -0.781 -2.900 1.00 0.00 C ATOM 441 C ARG A 373 14.292 -0.562 -1.704 1.00 0.00 C ATOM 442 O ARG A 373 15.512 -0.502 -1.850 1.00 0.00 O ATOM 443 CB ARG A 373 13.029 0.568 -3.536 1.00 0.00 C ATOM 444 CG ARG A 373 12.616 0.356 -4.994 1.00 0.00 C ATOM 445 CD ARG A 373 13.452 1.264 -5.899 1.00 0.00 C ATOM 446 NE ARG A 373 12.582 2.092 -6.725 1.00 0.00 N ATOM 447 CZ ARG A 373 12.183 3.292 -6.314 1.00 0.00 C ATOM 448 NH1 ARG A 373 12.568 3.746 -5.153 1.00 0.00 N ATOM 449 NH2 ARG A 373 11.402 4.015 -7.072 1.00 0.00 N ATOM 0 H ARG A 373 11.305 -0.891 -2.541 1.00 0.00 H new ATOM 0 HA ARG A 373 13.884 -1.407 -3.630 1.00 0.00 H new ATOM 0 HB2 ARG A 373 12.220 1.047 -2.984 1.00 0.00 H new ATOM 0 HB3 ARG A 373 13.890 1.235 -3.484 1.00 0.00 H new ATOM 0 HG2 ARG A 373 12.759 -0.687 -5.276 1.00 0.00 H new ATOM 0 HG3 ARG A 373 11.556 0.577 -5.119 1.00 0.00 H new ATOM 0 HD2 ARG A 373 14.100 1.897 -5.292 1.00 0.00 H new ATOM 0 HD3 ARG A 373 14.100 0.660 -6.533 1.00 0.00 H new ATOM 0 HE ARG A 373 12.274 1.745 -7.633 1.00 0.00 H new ATOM 0 HH11 ARG A 373 13.175 3.180 -4.560 1.00 0.00 H new ATOM 0 HH12 ARG A 373 12.262 4.667 -4.838 1.00 0.00 H new ATOM 0 HH21 ARG A 373 11.099 3.659 -7.978 1.00 0.00 H new ATOM 0 HH22 ARG A 373 11.096 4.936 -6.757 1.00 0.00 H new ATOM 463 N ARG A 374 13.698 -0.445 -0.521 1.00 0.00 N ATOM 464 CA ARG A 374 14.474 -0.234 0.694 1.00 0.00 C ATOM 465 C ARG A 374 15.241 -1.499 1.067 1.00 0.00 C ATOM 466 O ARG A 374 16.413 -1.438 1.443 1.00 0.00 O ATOM 467 CB ARG A 374 13.546 0.159 1.846 1.00 0.00 C ATOM 468 CG ARG A 374 13.487 1.684 1.955 1.00 0.00 C ATOM 469 CD ARG A 374 13.727 2.101 3.407 1.00 0.00 C ATOM 470 NE ARG A 374 12.770 1.439 4.287 1.00 0.00 N ATOM 471 CZ ARG A 374 11.473 1.727 4.234 1.00 0.00 C ATOM 472 NH1 ARG A 374 11.037 2.618 3.385 1.00 0.00 N ATOM 473 NH2 ARG A 374 10.637 1.121 5.032 1.00 0.00 N ATOM 0 H ARG A 374 12.689 -0.492 -0.379 1.00 0.00 H new ATOM 0 HA ARG A 374 15.187 0.570 0.511 1.00 0.00 H new ATOM 0 HB2 ARG A 374 12.547 -0.243 1.676 1.00 0.00 H new ATOM 0 HB3 ARG A 374 13.907 -0.270 2.781 1.00 0.00 H new ATOM 0 HG2 ARG A 374 14.239 2.135 1.307 1.00 0.00 H new ATOM 0 HG3 ARG A 374 12.516 2.046 1.617 1.00 0.00 H new ATOM 0 HD2 ARG A 374 14.744 1.843 3.704 1.00 0.00 H new ATOM 0 HD3 ARG A 374 13.632 3.183 3.503 1.00 0.00 H new ATOM 0 HE ARG A 374 13.102 0.743 4.955 1.00 0.00 H new ATOM 0 HH11 ARG A 374 11.691 3.093 2.763 1.00 0.00 H new ATOM 0 HH12 ARG A 374 10.042 2.839 3.344 1.00 0.00 H new ATOM 0 HH21 ARG A 374 10.979 0.426 5.696 1.00 0.00 H new ATOM 0 HH22 ARG A 374 9.642 1.342 4.991 1.00 0.00 H new ATOM 487 N MET A 375 14.574 -2.643 0.960 1.00 0.00 N ATOM 488 CA MET A 375 15.205 -3.916 1.290 1.00 0.00 C ATOM 489 C MET A 375 16.095 -4.390 0.146 1.00 0.00 C ATOM 490 O MET A 375 17.046 -5.141 0.356 1.00 0.00 O ATOM 491 CB MET A 375 14.134 -4.972 1.578 1.00 0.00 C ATOM 492 CG MET A 375 13.707 -4.879 3.044 1.00 0.00 C ATOM 493 SD MET A 375 14.263 -6.356 3.929 1.00 0.00 S ATOM 494 CE MET A 375 12.678 -6.769 4.700 1.00 0.00 C ATOM 0 H MET A 375 13.605 -2.716 0.650 1.00 0.00 H new ATOM 0 HA MET A 375 15.822 -3.772 2.177 1.00 0.00 H new ATOM 0 HB2 MET A 375 13.273 -4.819 0.927 1.00 0.00 H new ATOM 0 HB3 MET A 375 14.523 -5.968 1.364 1.00 0.00 H new ATOM 0 HG2 MET A 375 14.132 -3.986 3.502 1.00 0.00 H new ATOM 0 HG3 MET A 375 12.623 -4.787 3.113 1.00 0.00 H new ATOM 0 HE1 MET A 375 12.791 -7.668 5.306 1.00 0.00 H new ATOM 0 HE2 MET A 375 12.355 -5.943 5.333 1.00 0.00 H new ATOM 0 HE3 MET A 375 11.932 -6.946 3.925 1.00 0.00 H new ATOM 504 N ARG A 376 15.777 -3.942 -1.061 1.00 0.00 N ATOM 505 CA ARG A 376 16.553 -4.325 -2.235 1.00 0.00 C ATOM 506 C ARG A 376 17.893 -3.596 -2.250 1.00 0.00 C ATOM 507 O ARG A 376 18.939 -4.203 -2.481 1.00 0.00 O ATOM 508 CB ARG A 376 15.773 -3.997 -3.509 1.00 0.00 C ATOM 509 CG ARG A 376 16.206 -2.627 -4.038 1.00 0.00 C ATOM 510 CD ARG A 376 15.513 -2.354 -5.374 1.00 0.00 C ATOM 511 NE ARG A 376 15.987 -1.096 -5.941 1.00 0.00 N ATOM 512 CZ ARG A 376 16.002 -0.899 -7.256 1.00 0.00 C ATOM 513 NH1 ARG A 376 15.591 -1.839 -8.062 1.00 0.00 N ATOM 514 NH2 ARG A 376 16.431 0.234 -7.740 1.00 0.00 N ATOM 0 H ARG A 376 14.994 -3.318 -1.253 1.00 0.00 H new ATOM 0 HA ARG A 376 16.737 -5.399 -2.192 1.00 0.00 H new ATOM 0 HB2 ARG A 376 15.952 -4.763 -4.264 1.00 0.00 H new ATOM 0 HB3 ARG A 376 14.703 -3.997 -3.302 1.00 0.00 H new ATOM 0 HG2 ARG A 376 15.950 -1.850 -3.318 1.00 0.00 H new ATOM 0 HG3 ARG A 376 17.288 -2.600 -4.165 1.00 0.00 H new ATOM 0 HD2 ARG A 376 15.711 -3.171 -6.068 1.00 0.00 H new ATOM 0 HD3 ARG A 376 14.433 -2.312 -5.230 1.00 0.00 H new ATOM 0 HE ARG A 376 16.312 -0.356 -5.319 1.00 0.00 H new ATOM 0 HH11 ARG A 376 15.258 -2.726 -7.684 1.00 0.00 H new ATOM 0 HH12 ARG A 376 15.603 -1.687 -9.071 1.00 0.00 H new ATOM 0 HH21 ARG A 376 16.755 0.968 -7.110 1.00 0.00 H new ATOM 0 HH22 ARG A 376 16.443 0.386 -8.749 1.00 0.00 H new ATOM 528 N ARG A 377 17.854 -2.290 -2.004 1.00 0.00 N ATOM 529 CA ARG A 377 19.071 -1.488 -1.992 1.00 0.00 C ATOM 530 C ARG A 377 19.997 -1.938 -0.870 1.00 0.00 C ATOM 531 O ARG A 377 21.199 -1.675 -0.897 1.00 0.00 O ATOM 532 CB ARG A 377 18.722 -0.008 -1.809 1.00 0.00 C ATOM 533 CG ARG A 377 18.280 0.237 -0.365 1.00 0.00 C ATOM 534 CD ARG A 377 17.878 1.703 -0.197 1.00 0.00 C ATOM 535 NE ARG A 377 18.899 2.423 0.554 1.00 0.00 N ATOM 536 CZ ARG A 377 19.020 2.274 1.869 1.00 0.00 C ATOM 537 NH1 ARG A 377 18.215 1.472 2.510 1.00 0.00 N ATOM 538 NH2 ARG A 377 19.941 2.929 2.519 1.00 0.00 N ATOM 0 H ARG A 377 16.999 -1.768 -1.812 1.00 0.00 H new ATOM 0 HA ARG A 377 19.582 -1.624 -2.945 1.00 0.00 H new ATOM 0 HB2 ARG A 377 19.586 0.612 -2.046 1.00 0.00 H new ATOM 0 HB3 ARG A 377 17.926 0.277 -2.497 1.00 0.00 H new ATOM 0 HG2 ARG A 377 17.441 -0.412 -0.115 1.00 0.00 H new ATOM 0 HG3 ARG A 377 19.090 -0.010 0.321 1.00 0.00 H new ATOM 0 HD2 ARG A 377 17.743 2.165 -1.175 1.00 0.00 H new ATOM 0 HD3 ARG A 377 16.921 1.768 0.321 1.00 0.00 H new ATOM 0 HE ARG A 377 19.532 3.053 0.061 1.00 0.00 H new ATOM 0 HH11 ARG A 377 17.494 0.960 2.002 1.00 0.00 H new ATOM 0 HH12 ARG A 377 18.307 1.357 3.519 1.00 0.00 H new ATOM 0 HH21 ARG A 377 20.570 3.557 2.018 1.00 0.00 H new ATOM 0 HH22 ARG A 377 20.033 2.814 3.528 1.00 0.00 H new ATOM 552 N LEU A 378 19.425 -2.618 0.115 1.00 0.00 N ATOM 553 CA LEU A 378 20.202 -3.105 1.248 1.00 0.00 C ATOM 554 C LEU A 378 21.306 -4.048 0.777 1.00 0.00 C ATOM 555 O LEU A 378 22.253 -3.625 0.113 1.00 0.00 O ATOM 556 CB LEU A 378 19.286 -3.834 2.233 1.00 0.00 C ATOM 557 CG LEU A 378 20.107 -4.329 3.425 1.00 0.00 C ATOM 558 CD1 LEU A 378 19.867 -3.412 4.627 1.00 0.00 C ATOM 559 CD2 LEU A 378 19.681 -5.756 3.779 1.00 0.00 C ATOM 0 H LEU A 378 18.431 -2.844 0.153 1.00 0.00 H new ATOM 0 HA LEU A 378 20.661 -2.250 1.745 1.00 0.00 H new ATOM 0 HB2 LEU A 378 18.496 -3.165 2.575 1.00 0.00 H new ATOM 0 HB3 LEU A 378 18.799 -4.675 1.739 1.00 0.00 H new ATOM 0 HG LEU A 378 21.166 -4.319 3.167 1.00 0.00 H new ATOM 0 HD11 LEU A 378 20.452 -3.765 5.476 1.00 0.00 H new ATOM 0 HD12 LEU A 378 20.169 -2.395 4.375 1.00 0.00 H new ATOM 0 HD13 LEU A 378 18.808 -3.422 4.887 1.00 0.00 H new ATOM 0 HD21 LEU A 378 20.265 -6.110 4.628 1.00 0.00 H new ATOM 0 HD22 LEU A 378 18.622 -5.766 4.038 1.00 0.00 H new ATOM 0 HD23 LEU A 378 19.852 -6.409 2.924 1.00 0.00 H new ATOM 571 N ALA A 379 21.181 -5.326 1.121 1.00 0.00 N ATOM 572 CA ALA A 379 22.176 -6.314 0.725 1.00 0.00 C ATOM 573 C ALA A 379 21.911 -6.803 -0.697 1.00 0.00 C ATOM 574 O ALA A 379 21.596 -6.012 -1.586 1.00 0.00 O ATOM 575 CB ALA A 379 22.144 -7.502 1.689 1.00 0.00 C ATOM 0 H ALA A 379 20.406 -5.699 1.669 1.00 0.00 H new ATOM 0 HA ALA A 379 23.159 -5.845 0.758 1.00 0.00 H new ATOM 0 HB1 ALA A 379 22.891 -8.236 1.386 1.00 0.00 H new ATOM 0 HB2 ALA A 379 22.363 -7.157 2.699 1.00 0.00 H new ATOM 0 HB3 ALA A 379 21.155 -7.960 1.669 1.00 0.00 H new ATOM 581 N ASN A 380 22.040 -8.109 -0.901 1.00 0.00 N ATOM 582 CA ASN A 380 21.812 -8.691 -2.219 1.00 0.00 C ATOM 583 C ASN A 380 22.444 -10.076 -2.309 1.00 0.00 C ATOM 584 O ASN A 380 21.963 -10.942 -3.041 1.00 0.00 O ATOM 585 CB ASN A 380 22.406 -7.786 -3.300 1.00 0.00 C ATOM 586 CG ASN A 380 23.778 -7.285 -2.864 1.00 0.00 C ATOM 587 OD1 ASN A 380 24.771 -8.001 -2.995 1.00 0.00 O ATOM 588 ND2 ASN A 380 23.894 -6.092 -2.351 1.00 0.00 N ATOM 0 H ASN A 380 22.299 -8.780 -0.178 1.00 0.00 H new ATOM 0 HA ASN A 380 20.737 -8.783 -2.374 1.00 0.00 H new ATOM 0 HB2 ASN A 380 22.491 -8.334 -4.238 1.00 0.00 H new ATOM 0 HB3 ASN A 380 21.742 -6.941 -3.483 1.00 0.00 H new ATOM 0 HD21 ASN A 380 24.809 -5.750 -2.057 1.00 0.00 H new ATOM 0 HD22 ASN A 380 23.070 -5.501 -2.244 1.00 0.00 H new ATOM 595 N THR A 381 23.524 -10.279 -1.561 1.00 0.00 N ATOM 596 CA THR A 381 24.215 -11.563 -1.566 1.00 0.00 C ATOM 597 C THR A 381 25.119 -11.689 -0.343 1.00 0.00 C ATOM 598 O THR A 381 26.200 -11.103 -0.297 1.00 0.00 O ATOM 599 CB THR A 381 25.053 -11.703 -2.839 1.00 0.00 C ATOM 600 OG1 THR A 381 25.290 -10.415 -3.390 1.00 0.00 O ATOM 601 CG2 THR A 381 24.300 -12.564 -3.855 1.00 0.00 C ATOM 0 H THR A 381 23.937 -9.576 -0.948 1.00 0.00 H new ATOM 0 HA THR A 381 23.468 -12.356 -1.536 1.00 0.00 H new ATOM 0 HB THR A 381 26.005 -12.177 -2.599 1.00 0.00 H new ATOM 0 HG1 THR A 381 25.199 -9.737 -2.688 1.00 0.00 H new ATOM 0 HG21 THR A 381 24.897 -12.663 -4.761 1.00 0.00 H new ATOM 0 HG22 THR A 381 24.117 -13.551 -3.431 1.00 0.00 H new ATOM 0 HG23 THR A 381 23.348 -12.092 -4.098 1.00 0.00 H new ATOM 609 N ALA A 382 24.667 -12.457 0.643 1.00 0.00 N ATOM 610 CA ALA A 382 25.445 -12.652 1.861 1.00 0.00 C ATOM 611 C ALA A 382 26.939 -12.572 1.563 1.00 0.00 C ATOM 612 O ALA A 382 27.560 -13.561 1.176 1.00 0.00 O ATOM 613 CB ALA A 382 25.118 -14.014 2.476 1.00 0.00 C ATOM 0 H ALA A 382 23.774 -12.950 0.624 1.00 0.00 H new ATOM 0 HA ALA A 382 25.185 -11.862 2.566 1.00 0.00 H new ATOM 0 HB1 ALA A 382 25.703 -14.152 3.385 1.00 0.00 H new ATOM 0 HB2 ALA A 382 24.056 -14.059 2.717 1.00 0.00 H new ATOM 0 HB3 ALA A 382 25.362 -14.803 1.764 1.00 0.00 H new ATOM 619 N PRO A 383 27.516 -11.414 1.736 1.00 0.00 N ATOM 620 CA PRO A 383 28.968 -11.189 1.484 1.00 0.00 C ATOM 621 C PRO A 383 29.836 -12.269 2.125 1.00 0.00 C ATOM 622 O PRO A 383 29.569 -12.713 3.241 1.00 0.00 O ATOM 623 CB PRO A 383 29.239 -9.823 2.117 1.00 0.00 C ATOM 624 CG PRO A 383 27.926 -9.114 2.110 1.00 0.00 C ATOM 625 CD PRO A 383 26.840 -10.190 2.194 1.00 0.00 C ATOM 0 HA PRO A 383 29.210 -11.226 0.422 1.00 0.00 H new ATOM 0 HB2 PRO A 383 29.622 -9.930 3.132 1.00 0.00 H new ATOM 0 HB3 PRO A 383 29.987 -9.269 1.550 1.00 0.00 H new ATOM 0 HG2 PRO A 383 27.854 -8.426 2.952 1.00 0.00 H new ATOM 0 HG3 PRO A 383 27.812 -8.520 1.203 1.00 0.00 H new ATOM 0 HD2 PRO A 383 26.464 -10.299 3.211 1.00 0.00 H new ATOM 0 HD3 PRO A 383 25.986 -9.945 1.562 1.00 0.00 H new ATOM 633 N ALA A 384 30.877 -12.686 1.410 1.00 0.00 N ATOM 634 CA ALA A 384 31.778 -13.713 1.919 1.00 0.00 C ATOM 635 C ALA A 384 33.176 -13.536 1.337 1.00 0.00 C ATOM 636 O ALA A 384 33.598 -12.418 1.035 1.00 0.00 O ATOM 637 CB ALA A 384 31.245 -15.100 1.558 1.00 0.00 C ATOM 0 H ALA A 384 31.116 -12.331 0.484 1.00 0.00 H new ATOM 0 HA ALA A 384 31.834 -13.616 3.003 1.00 0.00 H new ATOM 0 HB1 ALA A 384 31.924 -15.862 1.942 1.00 0.00 H new ATOM 0 HB2 ALA A 384 30.258 -15.237 2.000 1.00 0.00 H new ATOM 0 HB3 ALA A 384 31.173 -15.191 0.474 1.00 0.00 H new ATOM 643 N TRP A 385 33.892 -14.645 1.178 1.00 0.00 N ATOM 644 CA TRP A 385 35.243 -14.599 0.631 1.00 0.00 C ATOM 645 C TRP A 385 36.084 -13.561 1.365 1.00 0.00 C ATOM 646 O TRP A 385 36.622 -12.688 0.703 1.00 0.00 O ATOM 647 CB TRP A 385 35.190 -14.257 -0.859 1.00 0.00 C ATOM 648 CG TRP A 385 36.573 -14.278 -1.424 1.00 0.00 C ATOM 649 CD1 TRP A 385 37.494 -15.241 -1.190 1.00 0.00 C ATOM 650 CD2 TRP A 385 37.209 -13.311 -2.310 1.00 0.00 C ATOM 651 NE1 TRP A 385 38.654 -14.928 -1.876 1.00 0.00 N ATOM 652 CE2 TRP A 385 38.528 -13.747 -2.581 1.00 0.00 C ATOM 653 CE3 TRP A 385 36.774 -12.110 -2.899 1.00 0.00 C ATOM 654 CZ2 TRP A 385 39.385 -13.019 -3.408 1.00 0.00 C ATOM 655 CZ3 TRP A 385 37.634 -11.374 -3.732 1.00 0.00 C ATOM 656 CH2 TRP A 385 38.936 -11.828 -3.985 1.00 0.00 C ATOM 0 H TRP A 385 33.562 -15.580 1.418 1.00 0.00 H new ATOM 0 HA TRP A 385 35.702 -15.579 0.763 1.00 0.00 H new ATOM 0 HB2 TRP A 385 34.560 -14.974 -1.385 1.00 0.00 H new ATOM 0 HB3 TRP A 385 34.742 -13.274 -1.002 1.00 0.00 H new ATOM 0 HD1 TRP A 385 37.348 -16.112 -0.569 1.00 0.00 H new ATOM 0 HE1 TRP A 385 39.499 -15.499 -1.863 1.00 0.00 H new ATOM 0 HE3 TRP A 385 35.773 -11.751 -2.710 1.00 0.00 H new ATOM 0 HZ2 TRP A 385 40.387 -13.373 -3.600 1.00 0.00 H new ATOM 0 HZ3 TRP A 385 37.290 -10.453 -4.180 1.00 0.00 H new ATOM 0 HH2 TRP A 385 39.592 -11.257 -4.626 1.00 0.00 H new TER 667 TRP A 385