USER MOD reduce.3.24.130724 H: found=0, std=0, add=336, rem=0, adj=7 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 Single : A 349 SER OG : rot 94:sc= -0.536! 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= 0.0153 USER MOD Single : A 361 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 363 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 364 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 368 GLN :FLIP amide:sc= 0 F(o=-1.3!,f=0) USER MOD Single : A 371 ASN : amide:sc= -0.632 K(o=-0.63,f=-2.8!) USER MOD Single : A 372 THR OG1 : rot 180:sc= 0 USER MOD Single : A 375 MET CE :methyl -170:sc=-0.00241 (180deg=-0.176) USER MOD Single : A 380 ASN : amide:sc= -4.71! C(o=-4.7!,f=-8.3!) USER MOD Single : A 381 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 345 -8.559 16.048 -5.282 1.00 0.00 N ATOM 2 CA GLY A 345 -8.693 14.582 -5.051 1.00 0.00 C ATOM 3 C GLY A 345 -7.646 14.126 -4.042 1.00 0.00 C ATOM 4 O GLY A 345 -6.750 13.346 -4.367 1.00 0.00 O ATOM 0 HA2 GLY A 345 -9.693 14.352 -4.682 1.00 0.00 H new ATOM 0 HA3 GLY A 345 -8.567 14.043 -5.990 1.00 0.00 H new ATOM 8 N PRO A 346 -7.744 14.601 -2.830 1.00 0.00 N ATOM 9 CA PRO A 346 -6.790 14.243 -1.742 1.00 0.00 C ATOM 10 C PRO A 346 -6.997 12.814 -1.242 1.00 0.00 C ATOM 11 O PRO A 346 -6.312 11.888 -1.677 1.00 0.00 O ATOM 12 CB PRO A 346 -7.099 15.256 -0.639 1.00 0.00 C ATOM 13 CG PRO A 346 -8.515 15.673 -0.867 1.00 0.00 C ATOM 14 CD PRO A 346 -8.782 15.534 -2.367 1.00 0.00 C ATOM 0 HA PRO A 346 -5.754 14.277 -2.080 1.00 0.00 H new ATOM 0 HB2 PRO A 346 -6.975 14.811 0.348 1.00 0.00 H new ATOM 0 HB3 PRO A 346 -6.425 16.111 -0.691 1.00 0.00 H new ATOM 0 HG2 PRO A 346 -9.199 15.048 -0.293 1.00 0.00 H new ATOM 0 HG3 PRO A 346 -8.672 16.701 -0.540 1.00 0.00 H new ATOM 0 HD2 PRO A 346 -9.782 15.146 -2.560 1.00 0.00 H new ATOM 0 HD3 PRO A 346 -8.710 16.495 -2.876 1.00 0.00 H new ATOM 22 N LEU A 347 -7.947 12.645 -0.327 1.00 0.00 N ATOM 23 CA LEU A 347 -8.235 11.326 0.223 1.00 0.00 C ATOM 24 C LEU A 347 -9.629 11.296 0.842 1.00 0.00 C ATOM 25 O LEU A 347 -9.782 11.429 2.056 1.00 0.00 O ATOM 26 CB LEU A 347 -7.195 10.963 1.286 1.00 0.00 C ATOM 27 CG LEU A 347 -7.485 9.564 1.828 1.00 0.00 C ATOM 28 CD1 LEU A 347 -7.886 8.642 0.677 1.00 0.00 C ATOM 29 CD2 LEU A 347 -6.230 9.013 2.509 1.00 0.00 C ATOM 0 H LEU A 347 -8.525 13.398 0.046 1.00 0.00 H new ATOM 0 HA LEU A 347 -8.194 10.599 -0.588 1.00 0.00 H new ATOM 0 HB2 LEU A 347 -6.194 10.998 0.857 1.00 0.00 H new ATOM 0 HB3 LEU A 347 -7.219 11.691 2.097 1.00 0.00 H new ATOM 0 HG LEU A 347 -8.300 9.616 2.550 1.00 0.00 H new ATOM 0 HD11 LEU A 347 -8.093 7.645 1.065 1.00 0.00 H new ATOM 0 HD12 LEU A 347 -8.779 9.034 0.191 1.00 0.00 H new ATOM 0 HD13 LEU A 347 -7.073 8.589 -0.047 1.00 0.00 H new ATOM 0 HD21 LEU A 347 -6.435 8.015 2.896 1.00 0.00 H new ATOM 0 HD22 LEU A 347 -5.416 8.962 1.786 1.00 0.00 H new ATOM 0 HD23 LEU A 347 -5.944 9.670 3.331 1.00 0.00 H new ATOM 41 N GLY A 348 -10.642 11.122 -0.002 1.00 0.00 N ATOM 42 CA GLY A 348 -12.018 11.078 0.475 1.00 0.00 C ATOM 43 C GLY A 348 -12.868 10.160 -0.399 1.00 0.00 C ATOM 44 O GLY A 348 -12.365 9.192 -0.971 1.00 0.00 O ATOM 0 H GLY A 348 -10.537 11.010 -1.010 1.00 0.00 H new ATOM 0 HA2 GLY A 348 -12.039 10.726 1.506 1.00 0.00 H new ATOM 0 HA3 GLY A 348 -12.440 12.083 0.472 1.00 0.00 H new ATOM 48 N SER A 349 -14.156 10.470 -0.496 1.00 0.00 N ATOM 49 CA SER A 349 -15.065 9.665 -1.305 1.00 0.00 C ATOM 50 C SER A 349 -15.483 8.409 -0.549 1.00 0.00 C ATOM 51 O SER A 349 -15.489 7.310 -1.105 1.00 0.00 O ATOM 52 CB SER A 349 -14.388 9.271 -2.617 1.00 0.00 C ATOM 53 OG SER A 349 -13.463 10.283 -2.990 1.00 0.00 O ATOM 0 H SER A 349 -14.592 11.265 -0.029 1.00 0.00 H new ATOM 0 HA SER A 349 -15.953 10.259 -1.520 1.00 0.00 H new ATOM 0 HB2 SER A 349 -13.874 8.317 -2.502 1.00 0.00 H new ATOM 0 HB3 SER A 349 -15.135 9.139 -3.400 1.00 0.00 H new ATOM 0 HG SER A 349 -12.572 10.053 -2.652 1.00 0.00 H new ATOM 59 N MET A 350 -15.834 8.577 0.723 1.00 0.00 N ATOM 60 CA MET A 350 -16.252 7.448 1.545 1.00 0.00 C ATOM 61 C MET A 350 -15.473 6.191 1.170 1.00 0.00 C ATOM 62 O MET A 350 -16.025 5.254 0.595 1.00 0.00 O ATOM 63 CB MET A 350 -17.749 7.195 1.364 1.00 0.00 C ATOM 64 CG MET A 350 -18.491 7.567 2.650 1.00 0.00 C ATOM 65 SD MET A 350 -19.066 9.279 2.543 1.00 0.00 S ATOM 66 CE MET A 350 -19.684 9.417 4.237 1.00 0.00 C ATOM 0 H MET A 350 -15.837 9.477 1.203 1.00 0.00 H new ATOM 0 HA MET A 350 -16.048 7.690 2.588 1.00 0.00 H new ATOM 0 HB2 MET A 350 -18.129 7.784 0.529 1.00 0.00 H new ATOM 0 HB3 MET A 350 -17.924 6.147 1.121 1.00 0.00 H new ATOM 0 HG2 MET A 350 -19.337 6.897 2.801 1.00 0.00 H new ATOM 0 HG3 MET A 350 -17.832 7.447 3.510 1.00 0.00 H new ATOM 0 HE1 MET A 350 -20.093 10.415 4.395 1.00 0.00 H new ATOM 0 HE2 MET A 350 -20.465 8.675 4.401 1.00 0.00 H new ATOM 0 HE3 MET A 350 -18.867 9.245 4.938 1.00 0.00 H new ATOM 76 N PRO A 351 -14.206 6.164 1.483 1.00 0.00 N ATOM 77 CA PRO A 351 -13.324 5.002 1.176 1.00 0.00 C ATOM 78 C PRO A 351 -13.958 3.674 1.583 1.00 0.00 C ATOM 79 O PRO A 351 -15.160 3.602 1.837 1.00 0.00 O ATOM 80 CB PRO A 351 -12.061 5.279 1.996 1.00 0.00 C ATOM 81 CG PRO A 351 -12.026 6.760 2.184 1.00 0.00 C ATOM 82 CD PRO A 351 -13.478 7.243 2.167 1.00 0.00 C ATOM 0 HA PRO A 351 -13.131 4.906 0.108 1.00 0.00 H new ATOM 0 HB2 PRO A 351 -12.094 4.762 2.955 1.00 0.00 H new ATOM 0 HB3 PRO A 351 -11.170 4.928 1.475 1.00 0.00 H new ATOM 0 HG2 PRO A 351 -11.544 7.019 3.127 1.00 0.00 H new ATOM 0 HG3 PRO A 351 -11.451 7.237 1.390 1.00 0.00 H new ATOM 0 HD2 PRO A 351 -13.857 7.402 3.176 1.00 0.00 H new ATOM 0 HD3 PRO A 351 -13.577 8.190 1.636 1.00 0.00 H new ATOM 90 N LEU A 352 -13.140 2.629 1.644 1.00 0.00 N ATOM 91 CA LEU A 352 -13.632 1.308 2.022 1.00 0.00 C ATOM 92 C LEU A 352 -15.089 1.140 1.606 1.00 0.00 C ATOM 93 O LEU A 352 -15.987 1.119 2.449 1.00 0.00 O ATOM 94 CB LEU A 352 -13.506 1.117 3.534 1.00 0.00 C ATOM 95 CG LEU A 352 -12.961 -0.282 3.829 1.00 0.00 C ATOM 96 CD1 LEU A 352 -11.434 -0.229 3.912 1.00 0.00 C ATOM 97 CD2 LEU A 352 -13.526 -0.778 5.161 1.00 0.00 C ATOM 0 H LEU A 352 -12.142 2.669 1.439 1.00 0.00 H new ATOM 0 HA LEU A 352 -13.031 0.557 1.510 1.00 0.00 H new ATOM 0 HB2 LEU A 352 -12.842 1.873 3.952 1.00 0.00 H new ATOM 0 HB3 LEU A 352 -14.478 1.248 4.010 1.00 0.00 H new ATOM 0 HG LEU A 352 -13.258 -0.963 3.031 1.00 0.00 H new ATOM 0 HD11 LEU A 352 -11.046 -1.226 4.122 1.00 0.00 H new ATOM 0 HD12 LEU A 352 -11.030 0.125 2.963 1.00 0.00 H new ATOM 0 HD13 LEU A 352 -11.136 0.452 4.710 1.00 0.00 H new ATOM 0 HD21 LEU A 352 -13.138 -1.775 5.372 1.00 0.00 H new ATOM 0 HD22 LEU A 352 -13.229 -0.097 5.958 1.00 0.00 H new ATOM 0 HD23 LEU A 352 -14.614 -0.817 5.103 1.00 0.00 H new ATOM 109 N LEU A 353 -15.318 1.020 0.303 1.00 0.00 N ATOM 110 CA LEU A 353 -16.668 0.854 -0.216 1.00 0.00 C ATOM 111 C LEU A 353 -16.663 0.906 -1.738 1.00 0.00 C ATOM 112 O LEU A 353 -16.166 1.859 -2.338 1.00 0.00 O ATOM 113 CB LEU A 353 -17.583 1.949 0.327 1.00 0.00 C ATOM 114 CG LEU A 353 -19.004 1.402 0.472 1.00 0.00 C ATOM 115 CD1 LEU A 353 -19.452 0.783 -0.853 1.00 0.00 C ATOM 116 CD2 LEU A 353 -19.028 0.333 1.567 1.00 0.00 C ATOM 0 H LEU A 353 -14.589 1.035 -0.410 1.00 0.00 H new ATOM 0 HA LEU A 353 -17.040 -0.118 0.107 1.00 0.00 H new ATOM 0 HB2 LEU A 353 -17.216 2.298 1.292 1.00 0.00 H new ATOM 0 HB3 LEU A 353 -17.579 2.807 -0.345 1.00 0.00 H new ATOM 0 HG LEU A 353 -19.680 2.214 0.740 1.00 0.00 H new ATOM 0 HD11 LEU A 353 -20.465 0.393 -0.749 1.00 0.00 H new ATOM 0 HD12 LEU A 353 -19.434 1.543 -1.634 1.00 0.00 H new ATOM 0 HD13 LEU A 353 -18.777 -0.029 -1.122 1.00 0.00 H new ATOM 0 HD21 LEU A 353 -20.040 -0.058 1.672 1.00 0.00 H new ATOM 0 HD22 LEU A 353 -18.352 -0.478 1.298 1.00 0.00 H new ATOM 0 HD23 LEU A 353 -18.709 0.773 2.512 1.00 0.00 H new ATOM 128 N GLU A 354 -17.220 -0.126 -2.351 1.00 0.00 N ATOM 129 CA GLU A 354 -17.282 -0.200 -3.806 1.00 0.00 C ATOM 130 C GLU A 354 -15.910 0.071 -4.416 1.00 0.00 C ATOM 131 O GLU A 354 -15.751 0.977 -5.233 1.00 0.00 O ATOM 132 CB GLU A 354 -18.290 0.821 -4.339 1.00 0.00 C ATOM 133 CG GLU A 354 -18.617 0.501 -5.798 1.00 0.00 C ATOM 134 CD GLU A 354 -18.532 1.770 -6.642 1.00 0.00 C ATOM 135 OE1 GLU A 354 -19.576 2.277 -7.018 1.00 0.00 O ATOM 136 OE2 GLU A 354 -17.425 2.212 -6.899 1.00 0.00 O ATOM 0 H GLU A 354 -17.635 -0.923 -1.868 1.00 0.00 H new ATOM 0 HA GLU A 354 -17.600 -1.204 -4.086 1.00 0.00 H new ATOM 0 HB2 GLU A 354 -19.199 0.798 -3.738 1.00 0.00 H new ATOM 0 HB3 GLU A 354 -17.880 1.828 -4.259 1.00 0.00 H new ATOM 0 HG2 GLU A 354 -17.922 -0.247 -6.180 1.00 0.00 H new ATOM 0 HG3 GLU A 354 -19.617 0.073 -5.870 1.00 0.00 H new ATOM 143 N THR A 355 -14.923 -0.723 -4.012 1.00 0.00 N ATOM 144 CA THR A 355 -13.567 -0.559 -4.524 1.00 0.00 C ATOM 145 C THR A 355 -12.910 0.676 -3.917 1.00 0.00 C ATOM 146 O THR A 355 -13.513 1.377 -3.104 1.00 0.00 O ATOM 147 CB THR A 355 -13.597 -0.427 -6.049 1.00 0.00 C ATOM 148 OG1 THR A 355 -12.603 -1.269 -6.614 1.00 0.00 O ATOM 149 CG2 THR A 355 -13.323 1.025 -6.442 1.00 0.00 C ATOM 0 H THR A 355 -15.035 -1.480 -3.338 1.00 0.00 H new ATOM 0 HA THR A 355 -12.985 -1.438 -4.247 1.00 0.00 H new ATOM 0 HB THR A 355 -14.578 -0.722 -6.421 1.00 0.00 H new ATOM 0 HG1 THR A 355 -12.622 -1.187 -7.590 1.00 0.00 H new ATOM 0 HG21 THR A 355 -13.344 1.118 -7.528 1.00 0.00 H new ATOM 0 HG22 THR A 355 -14.087 1.670 -6.007 1.00 0.00 H new ATOM 0 HG23 THR A 355 -12.342 1.323 -6.072 1.00 0.00 H new ATOM 157 N LEU A 356 -11.669 0.936 -4.316 1.00 0.00 N ATOM 158 CA LEU A 356 -10.939 2.088 -3.807 1.00 0.00 C ATOM 159 C LEU A 356 -10.758 3.135 -4.899 1.00 0.00 C ATOM 160 O LEU A 356 -11.460 3.121 -5.911 1.00 0.00 O ATOM 161 CB LEU A 356 -9.572 1.649 -3.290 1.00 0.00 C ATOM 162 CG LEU A 356 -9.715 0.341 -2.510 1.00 0.00 C ATOM 163 CD1 LEU A 356 -8.337 -0.289 -2.308 1.00 0.00 C ATOM 164 CD2 LEU A 356 -10.348 0.629 -1.147 1.00 0.00 C ATOM 0 H LEU A 356 -11.152 0.367 -4.986 1.00 0.00 H new ATOM 0 HA LEU A 356 -11.514 2.527 -2.992 1.00 0.00 H new ATOM 0 HB2 LEU A 356 -8.883 1.514 -4.124 1.00 0.00 H new ATOM 0 HB3 LEU A 356 -9.149 2.422 -2.649 1.00 0.00 H new ATOM 0 HG LEU A 356 -10.349 -0.347 -3.069 1.00 0.00 H new ATOM 0 HD11 LEU A 356 -8.441 -1.221 -1.752 1.00 0.00 H new ATOM 0 HD12 LEU A 356 -7.885 -0.494 -3.278 1.00 0.00 H new ATOM 0 HD13 LEU A 356 -7.701 0.398 -1.749 1.00 0.00 H new ATOM 0 HD21 LEU A 356 -10.451 -0.302 -0.590 1.00 0.00 H new ATOM 0 HD22 LEU A 356 -9.713 1.318 -0.589 1.00 0.00 H new ATOM 0 HD23 LEU A 356 -11.331 1.077 -1.290 1.00 0.00 H new ATOM 176 N THR A 357 -9.811 4.037 -4.688 1.00 0.00 N ATOM 177 CA THR A 357 -9.539 5.092 -5.658 1.00 0.00 C ATOM 178 C THR A 357 -8.069 5.080 -6.063 1.00 0.00 C ATOM 179 O THR A 357 -7.346 4.123 -5.787 1.00 0.00 O ATOM 180 CB THR A 357 -9.896 6.455 -5.063 1.00 0.00 C ATOM 181 OG1 THR A 357 -8.951 6.793 -4.057 1.00 0.00 O ATOM 182 CG2 THR A 357 -11.297 6.396 -4.452 1.00 0.00 C ATOM 0 H THR A 357 -9.219 4.061 -3.858 1.00 0.00 H new ATOM 0 HA THR A 357 -10.150 4.912 -6.543 1.00 0.00 H new ATOM 0 HB THR A 357 -9.877 7.211 -5.848 1.00 0.00 H new ATOM 0 HG1 THR A 357 -9.177 7.667 -3.676 1.00 0.00 H new ATOM 0 HG21 THR A 357 -11.550 7.368 -4.028 1.00 0.00 H new ATOM 0 HG22 THR A 357 -12.021 6.137 -5.225 1.00 0.00 H new ATOM 0 HG23 THR A 357 -11.320 5.641 -3.667 1.00 0.00 H new ATOM 190 N ASP A 358 -7.633 6.150 -6.720 1.00 0.00 N ATOM 191 CA ASP A 358 -6.247 6.253 -7.160 1.00 0.00 C ATOM 192 C ASP A 358 -5.330 6.523 -5.974 1.00 0.00 C ATOM 193 O ASP A 358 -4.145 6.186 -6.001 1.00 0.00 O ATOM 194 CB ASP A 358 -6.104 7.378 -8.187 1.00 0.00 C ATOM 195 CG ASP A 358 -5.484 6.836 -9.471 1.00 0.00 C ATOM 196 OD1 ASP A 358 -4.787 5.838 -9.393 1.00 0.00 O ATOM 197 OD2 ASP A 358 -5.714 7.428 -10.512 1.00 0.00 O ATOM 0 H ASP A 358 -8.215 6.953 -6.958 1.00 0.00 H new ATOM 0 HA ASP A 358 -5.960 5.307 -7.620 1.00 0.00 H new ATOM 0 HB2 ASP A 358 -7.080 7.813 -8.400 1.00 0.00 H new ATOM 0 HB3 ASP A 358 -5.481 8.175 -7.781 1.00 0.00 H new ATOM 202 N ALA A 359 -5.885 7.135 -4.939 1.00 0.00 N ATOM 203 CA ALA A 359 -5.114 7.449 -3.742 1.00 0.00 C ATOM 204 C ALA A 359 -4.655 6.172 -3.046 1.00 0.00 C ATOM 205 O ALA A 359 -3.484 6.031 -2.697 1.00 0.00 O ATOM 206 CB ALA A 359 -5.963 8.280 -2.777 1.00 0.00 C ATOM 0 H ALA A 359 -6.863 7.424 -4.902 1.00 0.00 H new ATOM 0 HA ALA A 359 -4.236 8.021 -4.040 1.00 0.00 H new ATOM 0 HB1 ALA A 359 -5.380 8.510 -1.885 1.00 0.00 H new ATOM 0 HB2 ALA A 359 -6.264 9.208 -3.264 1.00 0.00 H new ATOM 0 HB3 ALA A 359 -6.851 7.714 -2.494 1.00 0.00 H new ATOM 212 N GLU A 360 -5.586 5.244 -2.851 1.00 0.00 N ATOM 213 CA GLU A 360 -5.266 3.982 -2.198 1.00 0.00 C ATOM 214 C GLU A 360 -4.201 3.223 -2.984 1.00 0.00 C ATOM 215 O GLU A 360 -3.247 2.700 -2.410 1.00 0.00 O ATOM 216 CB GLU A 360 -6.525 3.125 -2.080 1.00 0.00 C ATOM 217 CG GLU A 360 -7.246 3.455 -0.773 1.00 0.00 C ATOM 218 CD GLU A 360 -7.612 2.171 -0.038 1.00 0.00 C ATOM 219 OE1 GLU A 360 -7.006 1.152 -0.330 1.00 0.00 O ATOM 220 OE2 GLU A 360 -8.491 2.222 0.804 1.00 0.00 O ATOM 0 H GLU A 360 -6.561 5.342 -3.134 1.00 0.00 H new ATOM 0 HA GLU A 360 -4.878 4.198 -1.203 1.00 0.00 H new ATOM 0 HB2 GLU A 360 -7.184 3.310 -2.928 1.00 0.00 H new ATOM 0 HB3 GLU A 360 -6.262 2.068 -2.105 1.00 0.00 H new ATOM 0 HG2 GLU A 360 -6.608 4.075 -0.143 1.00 0.00 H new ATOM 0 HG3 GLU A 360 -8.146 4.033 -0.981 1.00 0.00 H new ATOM 227 N MET A 361 -4.373 3.167 -4.301 1.00 0.00 N ATOM 228 CA MET A 361 -3.420 2.470 -5.155 1.00 0.00 C ATOM 229 C MET A 361 -2.029 3.078 -5.012 1.00 0.00 C ATOM 230 O MET A 361 -1.047 2.366 -4.802 1.00 0.00 O ATOM 231 CB MET A 361 -3.866 2.557 -6.616 1.00 0.00 C ATOM 232 CG MET A 361 -4.987 1.545 -6.867 1.00 0.00 C ATOM 233 SD MET A 361 -4.810 0.848 -8.527 1.00 0.00 S ATOM 234 CE MET A 361 -4.494 -0.862 -8.023 1.00 0.00 C ATOM 0 H MET A 361 -5.157 3.592 -4.796 1.00 0.00 H new ATOM 0 HA MET A 361 -3.383 1.425 -4.847 1.00 0.00 H new ATOM 0 HB2 MET A 361 -4.214 3.565 -6.842 1.00 0.00 H new ATOM 0 HB3 MET A 361 -3.024 2.355 -7.277 1.00 0.00 H new ATOM 0 HG2 MET A 361 -4.948 0.751 -6.121 1.00 0.00 H new ATOM 0 HG3 MET A 361 -5.958 2.030 -6.766 1.00 0.00 H new ATOM 0 HE1 MET A 361 -4.352 -1.482 -8.908 1.00 0.00 H new ATOM 0 HE2 MET A 361 -3.596 -0.899 -7.406 1.00 0.00 H new ATOM 0 HE3 MET A 361 -5.343 -1.236 -7.451 1.00 0.00 H new ATOM 244 N GLU A 362 -1.953 4.401 -5.125 1.00 0.00 N ATOM 245 CA GLU A 362 -0.677 5.096 -5.005 1.00 0.00 C ATOM 246 C GLU A 362 -0.100 4.918 -3.605 1.00 0.00 C ATOM 247 O GLU A 362 1.117 4.913 -3.419 1.00 0.00 O ATOM 248 CB GLU A 362 -0.865 6.586 -5.297 1.00 0.00 C ATOM 249 CG GLU A 362 -0.024 6.978 -6.513 1.00 0.00 C ATOM 250 CD GLU A 362 1.186 7.794 -6.070 1.00 0.00 C ATOM 251 OE1 GLU A 362 2.225 7.665 -6.696 1.00 0.00 O ATOM 252 OE2 GLU A 362 1.056 8.535 -5.109 1.00 0.00 O ATOM 0 H GLU A 362 -2.754 5.009 -5.298 1.00 0.00 H new ATOM 0 HA GLU A 362 0.018 4.669 -5.728 1.00 0.00 H new ATOM 0 HB2 GLU A 362 -1.917 6.801 -5.485 1.00 0.00 H new ATOM 0 HB3 GLU A 362 -0.569 7.177 -4.431 1.00 0.00 H new ATOM 0 HG2 GLU A 362 0.304 6.083 -7.042 1.00 0.00 H new ATOM 0 HG3 GLU A 362 -0.628 7.558 -7.211 1.00 0.00 H new ATOM 259 N LYS A 363 -0.983 4.771 -2.621 1.00 0.00 N ATOM 260 CA LYS A 363 -0.551 4.593 -1.240 1.00 0.00 C ATOM 261 C LYS A 363 0.118 3.234 -1.059 1.00 0.00 C ATOM 262 O LYS A 363 1.212 3.139 -0.502 1.00 0.00 O ATOM 263 CB LYS A 363 -1.752 4.702 -0.299 1.00 0.00 C ATOM 264 CG LYS A 363 -1.468 5.755 0.774 1.00 0.00 C ATOM 265 CD LYS A 363 -0.824 5.084 1.987 1.00 0.00 C ATOM 266 CE LYS A 363 -1.908 4.712 3.001 1.00 0.00 C ATOM 267 NZ LYS A 363 -1.386 3.665 3.925 1.00 0.00 N ATOM 0 H LYS A 363 -1.994 4.772 -2.753 1.00 0.00 H new ATOM 0 HA LYS A 363 0.170 5.375 -1.001 1.00 0.00 H new ATOM 0 HB2 LYS A 363 -2.645 4.973 -0.862 1.00 0.00 H new ATOM 0 HB3 LYS A 363 -1.950 3.737 0.167 1.00 0.00 H new ATOM 0 HG2 LYS A 363 -0.807 6.525 0.377 1.00 0.00 H new ATOM 0 HG3 LYS A 363 -2.394 6.250 1.067 1.00 0.00 H new ATOM 0 HD2 LYS A 363 -0.280 4.192 1.676 1.00 0.00 H new ATOM 0 HD3 LYS A 363 -0.098 5.756 2.445 1.00 0.00 H new ATOM 0 HE2 LYS A 363 -2.210 5.594 3.567 1.00 0.00 H new ATOM 0 HE3 LYS A 363 -2.795 4.346 2.484 1.00 0.00 H new ATOM 0 HZ1 LYS A 363 -2.122 3.412 4.614 1.00 0.00 H new ATOM 0 HZ2 LYS A 363 -1.119 2.822 3.378 1.00 0.00 H new ATOM 0 HZ3 LYS A 363 -0.552 4.030 4.428 1.00 0.00 H new ATOM 281 N LYS A 364 -0.548 2.186 -1.534 1.00 0.00 N ATOM 282 CA LYS A 364 -0.008 0.836 -1.419 1.00 0.00 C ATOM 283 C LYS A 364 1.213 0.670 -2.317 1.00 0.00 C ATOM 284 O LYS A 364 2.258 0.190 -1.880 1.00 0.00 O ATOM 285 CB LYS A 364 -1.075 -0.188 -1.809 1.00 0.00 C ATOM 286 CG LYS A 364 -1.932 -0.524 -0.587 1.00 0.00 C ATOM 287 CD LYS A 364 -2.850 -1.704 -0.915 1.00 0.00 C ATOM 288 CE LYS A 364 -3.410 -2.292 0.381 1.00 0.00 C ATOM 289 NZ LYS A 364 -2.516 -3.383 0.860 1.00 0.00 N ATOM 0 H LYS A 364 -1.454 2.244 -1.998 1.00 0.00 H new ATOM 0 HA LYS A 364 0.292 0.671 -0.384 1.00 0.00 H new ATOM 0 HB2 LYS A 364 -1.701 0.210 -2.607 1.00 0.00 H new ATOM 0 HB3 LYS A 364 -0.603 -1.092 -2.195 1.00 0.00 H new ATOM 0 HG2 LYS A 364 -1.294 -0.771 0.261 1.00 0.00 H new ATOM 0 HG3 LYS A 364 -2.526 0.343 -0.297 1.00 0.00 H new ATOM 0 HD2 LYS A 364 -3.665 -1.376 -1.560 1.00 0.00 H new ATOM 0 HD3 LYS A 364 -2.297 -2.467 -1.464 1.00 0.00 H new ATOM 0 HE2 LYS A 364 -3.491 -1.514 1.140 1.00 0.00 H new ATOM 0 HE3 LYS A 364 -4.415 -2.679 0.213 1.00 0.00 H new ATOM 0 HZ1 LYS A 364 -2.897 -3.782 1.741 1.00 0.00 H new ATOM 0 HZ2 LYS A 364 -2.461 -4.129 0.137 1.00 0.00 H new ATOM 0 HZ3 LYS A 364 -1.565 -3.000 1.036 1.00 0.00 H new ATOM 303 N ILE A 365 1.072 1.069 -3.578 1.00 0.00 N ATOM 304 CA ILE A 365 2.169 0.959 -4.531 1.00 0.00 C ATOM 305 C ILE A 365 3.392 1.721 -4.030 1.00 0.00 C ATOM 306 O ILE A 365 4.513 1.212 -4.068 1.00 0.00 O ATOM 307 CB ILE A 365 1.739 1.515 -5.886 1.00 0.00 C ATOM 308 CG1 ILE A 365 0.854 0.489 -6.598 1.00 0.00 C ATOM 309 CG2 ILE A 365 2.977 1.800 -6.739 1.00 0.00 C ATOM 310 CD1 ILE A 365 0.983 0.667 -8.112 1.00 0.00 C ATOM 0 H ILE A 365 0.215 1.468 -3.960 1.00 0.00 H new ATOM 0 HA ILE A 365 2.430 -0.094 -4.637 1.00 0.00 H new ATOM 0 HB ILE A 365 1.180 2.439 -5.739 1.00 0.00 H new ATOM 0 HG12 ILE A 365 1.149 -0.521 -6.313 1.00 0.00 H new ATOM 0 HG13 ILE A 365 -0.185 0.615 -6.293 1.00 0.00 H new ATOM 0 HG21 ILE A 365 2.669 2.197 -7.706 1.00 0.00 H new ATOM 0 HG22 ILE A 365 3.608 2.530 -6.232 1.00 0.00 H new ATOM 0 HG23 ILE A 365 3.537 0.877 -6.887 1.00 0.00 H new ATOM 0 HD11 ILE A 365 0.353 -0.064 -8.619 1.00 0.00 H new ATOM 0 HD12 ILE A 365 0.667 1.673 -8.388 1.00 0.00 H new ATOM 0 HD13 ILE A 365 2.021 0.519 -8.409 1.00 0.00 H new ATOM 322 N ARG A 366 3.168 2.942 -3.560 1.00 0.00 N ATOM 323 CA ARG A 366 4.258 3.768 -3.053 1.00 0.00 C ATOM 324 C ARG A 366 4.903 3.113 -1.837 1.00 0.00 C ATOM 325 O ARG A 366 6.127 3.028 -1.741 1.00 0.00 O ATOM 326 CB ARG A 366 3.732 5.153 -2.671 1.00 0.00 C ATOM 327 CG ARG A 366 3.599 6.014 -3.929 1.00 0.00 C ATOM 328 CD ARG A 366 4.890 6.804 -4.145 1.00 0.00 C ATOM 329 NE ARG A 366 5.853 6.004 -4.892 1.00 0.00 N ATOM 330 CZ ARG A 366 7.108 6.412 -5.055 1.00 0.00 C ATOM 331 NH1 ARG A 366 7.496 7.548 -4.542 1.00 0.00 N ATOM 332 NH2 ARG A 366 7.951 5.679 -5.727 1.00 0.00 N ATOM 0 H ARG A 366 2.248 3.380 -3.519 1.00 0.00 H new ATOM 0 HA ARG A 366 5.007 3.870 -3.838 1.00 0.00 H new ATOM 0 HB2 ARG A 366 2.765 5.063 -2.176 1.00 0.00 H new ATOM 0 HB3 ARG A 366 4.410 5.628 -1.962 1.00 0.00 H new ATOM 0 HG2 ARG A 366 3.397 5.383 -4.795 1.00 0.00 H new ATOM 0 HG3 ARG A 366 2.755 6.696 -3.828 1.00 0.00 H new ATOM 0 HD2 ARG A 366 4.675 7.725 -4.686 1.00 0.00 H new ATOM 0 HD3 ARG A 366 5.314 7.091 -3.183 1.00 0.00 H new ATOM 0 HE ARG A 366 5.559 5.115 -5.297 1.00 0.00 H new ATOM 0 HH11 ARG A 366 6.837 8.122 -4.017 1.00 0.00 H new ATOM 0 HH12 ARG A 366 8.459 7.862 -4.667 1.00 0.00 H new ATOM 0 HH21 ARG A 366 7.648 4.792 -6.128 1.00 0.00 H new ATOM 0 HH22 ARG A 366 8.913 5.993 -5.851 1.00 0.00 H new ATOM 346 N ASP A 367 4.071 2.654 -0.909 1.00 0.00 N ATOM 347 CA ASP A 367 4.569 2.008 0.298 1.00 0.00 C ATOM 348 C ASP A 367 5.357 0.749 -0.054 1.00 0.00 C ATOM 349 O ASP A 367 6.447 0.519 0.470 1.00 0.00 O ATOM 350 CB ASP A 367 3.401 1.641 1.216 1.00 0.00 C ATOM 351 CG ASP A 367 3.751 1.974 2.662 1.00 0.00 C ATOM 352 OD1 ASP A 367 4.925 1.938 2.990 1.00 0.00 O ATOM 353 OD2 ASP A 367 2.839 2.260 3.420 1.00 0.00 O ATOM 0 H ASP A 367 3.055 2.717 -0.969 1.00 0.00 H new ATOM 0 HA ASP A 367 5.230 2.705 0.813 1.00 0.00 H new ATOM 0 HB2 ASP A 367 2.506 2.185 0.915 1.00 0.00 H new ATOM 0 HB3 ASP A 367 3.174 0.579 1.123 1.00 0.00 H new ATOM 358 N GLN A 368 4.797 -0.061 -0.946 1.00 0.00 N ATOM 359 CA GLN A 368 5.457 -1.294 -1.362 1.00 0.00 C ATOM 360 C GLN A 368 6.718 -0.983 -2.158 1.00 0.00 C ATOM 361 O GLN A 368 7.661 -1.773 -2.184 1.00 0.00 O ATOM 362 CB GLN A 368 4.505 -2.135 -2.215 1.00 0.00 C ATOM 363 CG GLN A 368 4.929 -2.056 -3.682 1.00 0.00 C ATOM 364 CD GLN A 368 3.919 -2.791 -4.558 1.00 0.00 C ATOM 365 OE1 GLN A 368 2.936 -3.442 -3.997 1.00 0.00 O flip ATOM 366 NE2 GLN A 368 4.026 -2.770 -5.784 1.00 0.00 N flip ATOM 0 H GLN A 368 3.896 0.111 -1.392 1.00 0.00 H new ATOM 0 HA GLN A 368 5.734 -1.855 -0.469 1.00 0.00 H new ATOM 0 HB2 GLN A 368 4.517 -3.171 -1.877 1.00 0.00 H new ATOM 0 HB3 GLN A 368 3.483 -1.774 -2.101 1.00 0.00 H new ATOM 0 HG2 GLN A 368 5.001 -1.014 -3.992 1.00 0.00 H new ATOM 0 HG3 GLN A 368 5.919 -2.495 -3.807 1.00 0.00 H new ATOM 0 HE21 GLN A 368 4.795 -2.261 -6.220 1.00 0.00 H new ATOM 0 HE22 GLN A 368 3.346 -3.262 -6.364 1.00 0.00 H new ATOM 375 N ASP A 369 6.726 0.176 -2.804 1.00 0.00 N ATOM 376 CA ASP A 369 7.875 0.590 -3.600 1.00 0.00 C ATOM 377 C ASP A 369 9.024 1.015 -2.694 1.00 0.00 C ATOM 378 O ASP A 369 10.189 0.736 -2.978 1.00 0.00 O ATOM 379 CB ASP A 369 7.486 1.751 -4.517 1.00 0.00 C ATOM 380 CG ASP A 369 8.059 1.529 -5.913 1.00 0.00 C ATOM 381 OD1 ASP A 369 7.579 0.634 -6.591 1.00 0.00 O ATOM 382 OD2 ASP A 369 8.965 2.254 -6.282 1.00 0.00 O ATOM 0 H ASP A 369 5.954 0.843 -2.793 1.00 0.00 H new ATOM 0 HA ASP A 369 8.198 -0.256 -4.207 1.00 0.00 H new ATOM 0 HB2 ASP A 369 6.401 1.835 -4.570 1.00 0.00 H new ATOM 0 HB3 ASP A 369 7.859 2.690 -4.107 1.00 0.00 H new ATOM 387 N ARG A 370 8.686 1.692 -1.604 1.00 0.00 N ATOM 388 CA ARG A 370 9.694 2.153 -0.657 1.00 0.00 C ATOM 389 C ARG A 370 10.228 0.985 0.166 1.00 0.00 C ATOM 390 O ARG A 370 11.414 0.927 0.485 1.00 0.00 O ATOM 391 CB ARG A 370 9.092 3.206 0.276 1.00 0.00 C ATOM 392 CG ARG A 370 8.771 4.471 -0.522 1.00 0.00 C ATOM 393 CD ARG A 370 9.004 5.702 0.356 1.00 0.00 C ATOM 394 NE ARG A 370 7.855 6.598 0.283 1.00 0.00 N ATOM 395 CZ ARG A 370 6.785 6.407 1.048 1.00 0.00 C ATOM 396 NH1 ARG A 370 6.749 5.403 1.881 1.00 0.00 N ATOM 397 NH2 ARG A 370 5.771 7.223 0.965 1.00 0.00 N ATOM 0 H ARG A 370 7.727 1.933 -1.354 1.00 0.00 H new ATOM 0 HA ARG A 370 10.518 2.595 -1.217 1.00 0.00 H new ATOM 0 HB2 ARG A 370 8.187 2.818 0.743 1.00 0.00 H new ATOM 0 HB3 ARG A 370 9.791 3.438 1.079 1.00 0.00 H new ATOM 0 HG2 ARG A 370 9.399 4.522 -1.411 1.00 0.00 H new ATOM 0 HG3 ARG A 370 7.736 4.445 -0.863 1.00 0.00 H new ATOM 0 HD2 ARG A 370 9.170 5.395 1.389 1.00 0.00 H new ATOM 0 HD3 ARG A 370 9.903 6.225 0.031 1.00 0.00 H new ATOM 0 HE ARG A 370 7.873 7.384 -0.366 1.00 0.00 H new ATOM 0 HH11 ARG A 370 7.542 4.765 1.945 1.00 0.00 H new ATOM 0 HH12 ARG A 370 5.928 5.257 2.468 1.00 0.00 H new ATOM 0 HH21 ARG A 370 5.799 8.007 0.313 1.00 0.00 H new ATOM 0 HH22 ARG A 370 4.950 7.077 1.552 1.00 0.00 H new ATOM 411 N ASN A 371 9.340 0.056 0.508 1.00 0.00 N ATOM 412 CA ASN A 371 9.732 -1.107 1.295 1.00 0.00 C ATOM 413 C ASN A 371 10.603 -2.046 0.465 1.00 0.00 C ATOM 414 O ASN A 371 11.652 -2.501 0.922 1.00 0.00 O ATOM 415 CB ASN A 371 8.487 -1.855 1.777 1.00 0.00 C ATOM 416 CG ASN A 371 8.839 -3.306 2.091 1.00 0.00 C ATOM 417 OD1 ASN A 371 8.998 -4.119 1.181 1.00 0.00 O ATOM 418 ND2 ASN A 371 8.970 -3.680 3.334 1.00 0.00 N ATOM 0 H ASN A 371 8.352 0.085 0.255 1.00 0.00 H new ATOM 0 HA ASN A 371 10.305 -0.764 2.156 1.00 0.00 H new ATOM 0 HB2 ASN A 371 8.082 -1.370 2.665 1.00 0.00 H new ATOM 0 HB3 ASN A 371 7.711 -1.818 1.012 1.00 0.00 H new ATOM 0 HD21 ASN A 371 9.205 -4.648 3.553 1.00 0.00 H new ATOM 0 HD22 ASN A 371 8.838 -3.004 4.087 1.00 0.00 H new ATOM 425 N THR A 372 10.162 -2.332 -0.755 1.00 0.00 N ATOM 426 CA THR A 372 10.911 -3.217 -1.639 1.00 0.00 C ATOM 427 C THR A 372 12.230 -2.573 -2.051 1.00 0.00 C ATOM 428 O THR A 372 13.283 -3.211 -2.011 1.00 0.00 O ATOM 429 CB THR A 372 10.083 -3.532 -2.888 1.00 0.00 C ATOM 430 OG1 THR A 372 9.651 -4.885 -2.838 1.00 0.00 O ATOM 431 CG2 THR A 372 10.937 -3.312 -4.137 1.00 0.00 C ATOM 0 H THR A 372 9.296 -1.967 -1.152 1.00 0.00 H new ATOM 0 HA THR A 372 11.123 -4.141 -1.101 1.00 0.00 H new ATOM 0 HB THR A 372 9.215 -2.874 -2.925 1.00 0.00 H new ATOM 0 HG1 THR A 372 9.119 -5.088 -3.636 1.00 0.00 H new ATOM 0 HG21 THR A 372 10.347 -3.536 -5.025 1.00 0.00 H new ATOM 0 HG22 THR A 372 11.267 -2.274 -4.174 1.00 0.00 H new ATOM 0 HG23 THR A 372 11.806 -3.969 -4.104 1.00 0.00 H new ATOM 439 N ARG A 373 12.167 -1.307 -2.448 1.00 0.00 N ATOM 440 CA ARG A 373 13.364 -0.586 -2.865 1.00 0.00 C ATOM 441 C ARG A 373 14.361 -0.490 -1.714 1.00 0.00 C ATOM 442 O ARG A 373 15.562 -0.679 -1.903 1.00 0.00 O ATOM 443 CB ARG A 373 12.990 0.820 -3.337 1.00 0.00 C ATOM 444 CG ARG A 373 12.558 0.767 -4.804 1.00 0.00 C ATOM 445 CD ARG A 373 13.673 0.144 -5.644 1.00 0.00 C ATOM 446 NE ARG A 373 13.511 0.503 -7.048 1.00 0.00 N ATOM 447 CZ ARG A 373 14.236 -0.081 -7.996 1.00 0.00 C ATOM 448 NH1 ARG A 373 15.113 -0.994 -7.678 1.00 0.00 N ATOM 449 NH2 ARG A 373 14.072 0.258 -9.245 1.00 0.00 N ATOM 0 H ARG A 373 11.306 -0.762 -2.490 1.00 0.00 H new ATOM 0 HA ARG A 373 13.826 -1.133 -3.686 1.00 0.00 H new ATOM 0 HB2 ARG A 373 12.182 1.219 -2.723 1.00 0.00 H new ATOM 0 HB3 ARG A 373 13.840 1.492 -3.221 1.00 0.00 H new ATOM 0 HG2 ARG A 373 11.644 0.182 -4.904 1.00 0.00 H new ATOM 0 HG3 ARG A 373 12.335 1.771 -5.165 1.00 0.00 H new ATOM 0 HD2 ARG A 373 14.643 0.486 -5.284 1.00 0.00 H new ATOM 0 HD3 ARG A 373 13.657 -0.940 -5.535 1.00 0.00 H new ATOM 0 HE ARG A 373 12.829 1.215 -7.307 1.00 0.00 H new ATOM 0 HH11 ARG A 373 15.242 -1.259 -6.702 1.00 0.00 H new ATOM 0 HH12 ARG A 373 15.669 -1.442 -8.406 1.00 0.00 H new ATOM 0 HH21 ARG A 373 13.387 0.972 -9.494 1.00 0.00 H new ATOM 0 HH22 ARG A 373 14.629 -0.191 -9.973 1.00 0.00 H new ATOM 463 N ARG A 374 13.852 -0.194 -0.522 1.00 0.00 N ATOM 464 CA ARG A 374 14.707 -0.075 0.654 1.00 0.00 C ATOM 465 C ARG A 374 15.365 -1.413 0.977 1.00 0.00 C ATOM 466 O ARG A 374 16.559 -1.474 1.268 1.00 0.00 O ATOM 467 CB ARG A 374 13.883 0.393 1.854 1.00 0.00 C ATOM 468 CG ARG A 374 13.985 1.914 1.984 1.00 0.00 C ATOM 469 CD ARG A 374 13.201 2.376 3.212 1.00 0.00 C ATOM 470 NE ARG A 374 13.642 3.705 3.621 1.00 0.00 N ATOM 471 CZ ARG A 374 13.166 4.798 3.033 1.00 0.00 C ATOM 472 NH1 ARG A 374 12.291 4.693 2.071 1.00 0.00 N ATOM 473 NH2 ARG A 374 13.578 5.976 3.416 1.00 0.00 N ATOM 0 H ARG A 374 12.860 -0.033 -0.345 1.00 0.00 H new ATOM 0 HA ARG A 374 15.486 0.657 0.440 1.00 0.00 H new ATOM 0 HB2 ARG A 374 12.841 0.097 1.730 1.00 0.00 H new ATOM 0 HB3 ARG A 374 14.244 -0.085 2.765 1.00 0.00 H new ATOM 0 HG2 ARG A 374 15.030 2.212 2.073 1.00 0.00 H new ATOM 0 HG3 ARG A 374 13.592 2.393 1.087 1.00 0.00 H new ATOM 0 HD2 ARG A 374 12.135 2.392 2.987 1.00 0.00 H new ATOM 0 HD3 ARG A 374 13.343 1.670 4.030 1.00 0.00 H new ATOM 0 HE ARG A 374 14.327 3.797 4.371 1.00 0.00 H new ATOM 0 HH11 ARG A 374 11.972 3.772 1.770 1.00 0.00 H new ATOM 0 HH12 ARG A 374 11.926 5.532 1.620 1.00 0.00 H new ATOM 0 HH21 ARG A 374 14.265 6.057 4.166 1.00 0.00 H new ATOM 0 HH22 ARG A 374 13.213 6.815 2.965 1.00 0.00 H new ATOM 487 N MET A 375 14.578 -2.481 0.920 1.00 0.00 N ATOM 488 CA MET A 375 15.095 -3.815 1.209 1.00 0.00 C ATOM 489 C MET A 375 15.848 -4.369 0.004 1.00 0.00 C ATOM 490 O MET A 375 16.668 -5.277 0.135 1.00 0.00 O ATOM 491 CB MET A 375 13.945 -4.756 1.571 1.00 0.00 C ATOM 492 CG MET A 375 13.078 -5.005 0.335 1.00 0.00 C ATOM 493 SD MET A 375 12.661 -6.762 0.235 1.00 0.00 S ATOM 494 CE MET A 375 14.129 -7.294 -0.680 1.00 0.00 C ATOM 0 H MET A 375 13.587 -2.451 0.678 1.00 0.00 H new ATOM 0 HA MET A 375 15.782 -3.743 2.052 1.00 0.00 H new ATOM 0 HB2 MET A 375 14.339 -5.700 1.948 1.00 0.00 H new ATOM 0 HB3 MET A 375 13.343 -4.321 2.369 1.00 0.00 H new ATOM 0 HG2 MET A 375 12.168 -4.407 0.389 1.00 0.00 H new ATOM 0 HG3 MET A 375 13.610 -4.695 -0.564 1.00 0.00 H new ATOM 0 HE1 MET A 375 13.999 -8.325 -1.009 1.00 0.00 H new ATOM 0 HE2 MET A 375 14.269 -6.651 -1.549 1.00 0.00 H new ATOM 0 HE3 MET A 375 15.004 -7.227 -0.034 1.00 0.00 H new ATOM 504 N ARG A 376 15.562 -3.814 -1.167 1.00 0.00 N ATOM 505 CA ARG A 376 16.216 -4.258 -2.392 1.00 0.00 C ATOM 506 C ARG A 376 17.660 -3.766 -2.438 1.00 0.00 C ATOM 507 O ARG A 376 18.582 -4.540 -2.695 1.00 0.00 O ATOM 508 CB ARG A 376 15.457 -3.729 -3.611 1.00 0.00 C ATOM 509 CG ARG A 376 14.566 -4.837 -4.178 1.00 0.00 C ATOM 510 CD ARG A 376 14.644 -4.822 -5.705 1.00 0.00 C ATOM 511 NE ARG A 376 15.418 -5.962 -6.183 1.00 0.00 N ATOM 512 CZ ARG A 376 15.576 -6.190 -7.482 1.00 0.00 C ATOM 513 NH1 ARG A 376 15.035 -5.386 -8.355 1.00 0.00 N ATOM 514 NH2 ARG A 376 16.274 -7.216 -7.884 1.00 0.00 N ATOM 0 H ARG A 376 14.886 -3.061 -1.295 1.00 0.00 H new ATOM 0 HA ARG A 376 16.214 -5.348 -2.407 1.00 0.00 H new ATOM 0 HB2 ARG A 376 14.850 -2.868 -3.330 1.00 0.00 H new ATOM 0 HB3 ARG A 376 16.160 -3.389 -4.371 1.00 0.00 H new ATOM 0 HG2 ARG A 376 14.886 -5.807 -3.796 1.00 0.00 H new ATOM 0 HG3 ARG A 376 13.535 -4.691 -3.854 1.00 0.00 H new ATOM 0 HD2 ARG A 376 13.640 -4.853 -6.128 1.00 0.00 H new ATOM 0 HD3 ARG A 376 15.104 -3.894 -6.043 1.00 0.00 H new ATOM 0 HE ARG A 376 15.846 -6.596 -5.508 1.00 0.00 H new ATOM 0 HH11 ARG A 376 14.491 -4.583 -8.040 1.00 0.00 H new ATOM 0 HH12 ARG A 376 15.156 -5.561 -9.353 1.00 0.00 H new ATOM 0 HH21 ARG A 376 16.698 -7.843 -7.201 1.00 0.00 H new ATOM 0 HH22 ARG A 376 16.395 -7.391 -8.882 1.00 0.00 H new ATOM 528 N ARG A 377 17.848 -2.474 -2.186 1.00 0.00 N ATOM 529 CA ARG A 377 19.184 -1.889 -2.202 1.00 0.00 C ATOM 530 C ARG A 377 20.044 -2.494 -1.100 1.00 0.00 C ATOM 531 O ARG A 377 21.273 -2.438 -1.155 1.00 0.00 O ATOM 532 CB ARG A 377 19.096 -0.375 -2.014 1.00 0.00 C ATOM 533 CG ARG A 377 18.821 -0.057 -0.543 1.00 0.00 C ATOM 534 CD ARG A 377 18.448 1.420 -0.400 1.00 0.00 C ATOM 535 NE ARG A 377 19.652 2.237 -0.301 1.00 0.00 N ATOM 536 CZ ARG A 377 20.292 2.650 -1.390 1.00 0.00 C ATOM 537 NH1 ARG A 377 19.845 2.325 -2.573 1.00 0.00 N ATOM 538 NH2 ARG A 377 21.367 3.380 -1.276 1.00 0.00 N ATOM 0 H ARG A 377 17.098 -1.817 -1.970 1.00 0.00 H new ATOM 0 HA ARG A 377 19.644 -2.105 -3.166 1.00 0.00 H new ATOM 0 HB2 ARG A 377 20.027 0.096 -2.331 1.00 0.00 H new ATOM 0 HB3 ARG A 377 18.303 0.034 -2.640 1.00 0.00 H new ATOM 0 HG2 ARG A 377 18.012 -0.685 -0.169 1.00 0.00 H new ATOM 0 HG3 ARG A 377 19.702 -0.280 0.059 1.00 0.00 H new ATOM 0 HD2 ARG A 377 17.854 1.737 -1.257 1.00 0.00 H new ATOM 0 HD3 ARG A 377 17.830 1.562 0.486 1.00 0.00 H new ATOM 0 HE ARG A 377 20.009 2.496 0.619 1.00 0.00 H new ATOM 0 HH11 ARG A 377 19.004 1.754 -2.661 1.00 0.00 H new ATOM 0 HH12 ARG A 377 20.336 2.642 -3.409 1.00 0.00 H new ATOM 0 HH21 ARG A 377 21.716 3.633 -0.352 1.00 0.00 H new ATOM 0 HH22 ARG A 377 21.859 3.697 -2.111 1.00 0.00 H new ATOM 552 N LEU A 378 19.389 -3.070 -0.102 1.00 0.00 N ATOM 553 CA LEU A 378 20.097 -3.685 1.014 1.00 0.00 C ATOM 554 C LEU A 378 20.469 -2.635 2.055 1.00 0.00 C ATOM 555 O LEU A 378 21.052 -1.601 1.728 1.00 0.00 O ATOM 556 CB LEU A 378 21.364 -4.379 0.510 1.00 0.00 C ATOM 557 CG LEU A 378 21.545 -5.708 1.244 1.00 0.00 C ATOM 558 CD1 LEU A 378 20.784 -6.809 0.506 1.00 0.00 C ATOM 559 CD2 LEU A 378 23.032 -6.064 1.294 1.00 0.00 C ATOM 0 H LEU A 378 18.372 -3.125 -0.041 1.00 0.00 H new ATOM 0 HA LEU A 378 19.440 -4.421 1.476 1.00 0.00 H new ATOM 0 HB2 LEU A 378 21.294 -4.551 -0.564 1.00 0.00 H new ATOM 0 HB3 LEU A 378 22.231 -3.740 0.674 1.00 0.00 H new ATOM 0 HG LEU A 378 21.157 -5.617 2.259 1.00 0.00 H new ATOM 0 HD11 LEU A 378 20.914 -7.756 1.031 1.00 0.00 H new ATOM 0 HD12 LEU A 378 19.724 -6.557 0.469 1.00 0.00 H new ATOM 0 HD13 LEU A 378 21.170 -6.901 -0.509 1.00 0.00 H new ATOM 0 HD21 LEU A 378 23.162 -7.011 1.817 1.00 0.00 H new ATOM 0 HD22 LEU A 378 23.419 -6.154 0.279 1.00 0.00 H new ATOM 0 HD23 LEU A 378 23.576 -5.281 1.822 1.00 0.00 H new ATOM 571 N ALA A 379 20.131 -2.908 3.311 1.00 0.00 N ATOM 572 CA ALA A 379 20.434 -1.978 4.392 1.00 0.00 C ATOM 573 C ALA A 379 19.444 -0.821 4.398 1.00 0.00 C ATOM 574 O ALA A 379 18.431 -0.859 5.096 1.00 0.00 O ATOM 575 CB ALA A 379 21.855 -1.436 4.232 1.00 0.00 C ATOM 0 H ALA A 379 19.651 -3.759 3.604 1.00 0.00 H new ATOM 0 HA ALA A 379 20.354 -2.513 5.338 1.00 0.00 H new ATOM 0 HB1 ALA A 379 22.073 -0.742 5.044 1.00 0.00 H new ATOM 0 HB2 ALA A 379 22.565 -2.263 4.261 1.00 0.00 H new ATOM 0 HB3 ALA A 379 21.941 -0.917 3.278 1.00 0.00 H new ATOM 581 N ASN A 380 19.745 0.209 3.617 1.00 0.00 N ATOM 582 CA ASN A 380 18.876 1.376 3.534 1.00 0.00 C ATOM 583 C ASN A 380 19.597 2.534 2.854 1.00 0.00 C ATOM 584 O ASN A 380 20.806 2.479 2.627 1.00 0.00 O ATOM 585 CB ASN A 380 18.437 1.799 4.937 1.00 0.00 C ATOM 586 CG ASN A 380 18.962 3.196 5.249 1.00 0.00 C ATOM 587 OD1 ASN A 380 18.180 4.120 5.470 1.00 0.00 O ATOM 588 ND2 ASN A 380 20.250 3.406 5.282 1.00 0.00 N ATOM 0 H ASN A 380 20.581 0.260 3.034 1.00 0.00 H new ATOM 0 HA ASN A 380 17.999 1.112 2.942 1.00 0.00 H new ATOM 0 HB2 ASN A 380 17.349 1.787 5.006 1.00 0.00 H new ATOM 0 HB3 ASN A 380 18.811 1.088 5.674 1.00 0.00 H new ATOM 0 HD21 ASN A 380 20.610 4.337 5.491 1.00 0.00 H new ATOM 0 HD22 ASN A 380 20.897 2.639 5.099 1.00 0.00 H new ATOM 595 N THR A 381 18.849 3.584 2.531 1.00 0.00 N ATOM 596 CA THR A 381 19.428 4.751 1.876 1.00 0.00 C ATOM 597 C THR A 381 19.899 5.768 2.911 1.00 0.00 C ATOM 598 O THR A 381 20.467 5.403 3.940 1.00 0.00 O ATOM 599 CB THR A 381 18.393 5.399 0.954 1.00 0.00 C ATOM 600 OG1 THR A 381 17.536 4.397 0.426 1.00 0.00 O ATOM 601 CG2 THR A 381 19.107 6.117 -0.193 1.00 0.00 C ATOM 0 H THR A 381 17.847 3.651 2.711 1.00 0.00 H new ATOM 0 HA THR A 381 20.286 4.426 1.287 1.00 0.00 H new ATOM 0 HB THR A 381 17.803 6.120 1.521 1.00 0.00 H new ATOM 0 HG1 THR A 381 16.872 4.812 -0.163 1.00 0.00 H new ATOM 0 HG21 THR A 381 18.369 6.578 -0.849 1.00 0.00 H new ATOM 0 HG22 THR A 381 19.764 6.887 0.212 1.00 0.00 H new ATOM 0 HG23 THR A 381 19.698 5.398 -0.760 1.00 0.00 H new ATOM 609 N ALA A 382 19.657 7.044 2.632 1.00 0.00 N ATOM 610 CA ALA A 382 20.060 8.106 3.547 1.00 0.00 C ATOM 611 C ALA A 382 18.851 8.931 3.976 1.00 0.00 C ATOM 612 O ALA A 382 18.709 10.092 3.590 1.00 0.00 O ATOM 613 CB ALA A 382 21.086 9.016 2.870 1.00 0.00 C ATOM 0 H ALA A 382 19.187 7.367 1.786 1.00 0.00 H new ATOM 0 HA ALA A 382 20.506 7.649 4.430 1.00 0.00 H new ATOM 0 HB1 ALA A 382 21.382 9.807 3.559 1.00 0.00 H new ATOM 0 HB2 ALA A 382 21.962 8.431 2.590 1.00 0.00 H new ATOM 0 HB3 ALA A 382 20.646 9.460 1.977 1.00 0.00 H new ATOM 619 N PRO A 383 17.987 8.352 4.764 1.00 0.00 N ATOM 620 CA PRO A 383 16.761 9.037 5.262 1.00 0.00 C ATOM 621 C PRO A 383 17.063 10.430 5.808 1.00 0.00 C ATOM 622 O PRO A 383 18.144 10.974 5.587 1.00 0.00 O ATOM 623 CB PRO A 383 16.254 8.114 6.370 1.00 0.00 C ATOM 624 CG PRO A 383 16.784 6.759 6.034 1.00 0.00 C ATOM 625 CD PRO A 383 18.090 6.973 5.265 1.00 0.00 C ATOM 0 HA PRO A 383 16.031 9.197 4.469 1.00 0.00 H new ATOM 0 HB2 PRO A 383 16.608 8.443 7.347 1.00 0.00 H new ATOM 0 HB3 PRO A 383 15.165 8.111 6.410 1.00 0.00 H new ATOM 0 HG2 PRO A 383 16.959 6.177 6.939 1.00 0.00 H new ATOM 0 HG3 PRO A 383 16.067 6.202 5.431 1.00 0.00 H new ATOM 0 HD2 PRO A 383 18.959 6.847 5.911 1.00 0.00 H new ATOM 0 HD3 PRO A 383 18.194 6.259 4.448 1.00 0.00 H new ATOM 633 N ALA A 384 16.099 11.001 6.524 1.00 0.00 N ATOM 634 CA ALA A 384 16.272 12.331 7.097 1.00 0.00 C ATOM 635 C ALA A 384 15.346 12.523 8.293 1.00 0.00 C ATOM 636 O ALA A 384 14.138 12.693 8.135 1.00 0.00 O ATOM 637 CB ALA A 384 15.974 13.398 6.042 1.00 0.00 C ATOM 0 H ALA A 384 15.197 10.567 6.720 1.00 0.00 H new ATOM 0 HA ALA A 384 17.305 12.430 7.431 1.00 0.00 H new ATOM 0 HB1 ALA A 384 16.106 14.388 6.479 1.00 0.00 H new ATOM 0 HB2 ALA A 384 16.657 13.279 5.201 1.00 0.00 H new ATOM 0 HB3 ALA A 384 14.947 13.289 5.694 1.00 0.00 H new ATOM 643 N TRP A 385 15.921 12.495 9.491 1.00 0.00 N ATOM 644 CA TRP A 385 15.139 12.668 10.709 1.00 0.00 C ATOM 645 C TRP A 385 14.880 14.147 10.975 1.00 0.00 C ATOM 646 O TRP A 385 15.814 14.922 10.854 1.00 0.00 O ATOM 647 CB TRP A 385 15.879 12.055 11.898 1.00 0.00 C ATOM 648 CG TRP A 385 14.983 11.079 12.594 1.00 0.00 C ATOM 649 CD1 TRP A 385 13.738 11.354 13.046 1.00 0.00 C ATOM 650 CD2 TRP A 385 15.242 9.684 12.927 1.00 0.00 C ATOM 651 NE1 TRP A 385 13.215 10.214 13.632 1.00 0.00 N ATOM 652 CE2 TRP A 385 14.104 9.161 13.583 1.00 0.00 C ATOM 653 CE3 TRP A 385 16.343 8.832 12.721 1.00 0.00 C ATOM 654 CZ2 TRP A 385 14.060 7.836 14.023 1.00 0.00 C ATOM 655 CZ3 TRP A 385 16.299 7.498 13.163 1.00 0.00 C ATOM 656 CH2 TRP A 385 15.161 7.001 13.812 1.00 0.00 C ATOM 0 H TRP A 385 16.920 12.355 9.644 1.00 0.00 H new ATOM 0 HA TRP A 385 14.183 12.162 10.578 1.00 0.00 H new ATOM 0 HB2 TRP A 385 16.785 11.554 11.557 1.00 0.00 H new ATOM 0 HB3 TRP A 385 16.189 12.838 12.590 1.00 0.00 H new ATOM 0 HD1 TRP A 385 13.235 12.306 12.963 1.00 0.00 H new ATOM 0 HE1 TRP A 385 12.286 10.160 14.049 1.00 0.00 H new ATOM 0 HE3 TRP A 385 17.225 9.204 12.221 1.00 0.00 H new ATOM 0 HZ2 TRP A 385 13.180 7.459 14.523 1.00 0.00 H new ATOM 0 HZ3 TRP A 385 17.149 6.851 13.001 1.00 0.00 H new ATOM 0 HH2 TRP A 385 15.135 5.975 14.148 1.00 0.00 H new TER 667 TRP A 385