USER MOD reduce.3.24.130724 H: found=0, std=0, add=384, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 390 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 301 HIS : no HD1:sc= 0.154 K(o=1.3,f=-9.3!) USER MOD Set 1.2: B 211 TYR OH : rot 38:sc= 1.15 USER MOD Set 2.1: A 309 THR OG1 : rot 59:sc= 1.03 USER MOD Set 2.2: A 314 HIS : no HD1:sc= 0.625 K(o=1.7,f=-0.51) USER MOD Single : A 290 SER OG : rot 180:sc= -0.0355 USER MOD Single : A 291 THR OG1 : rot -170:sc= -0.537 USER MOD Single : A 293 SER OG : rot -21:sc= 0.176 USER MOD Single : A 297 TYR OH : rot 178:sc= 1.2 USER MOD Single : A 302 ASN : amide:sc= 1.13 K(o=1.1,f=-0.16) USER MOD Single : A 303 ASN : amide:sc= 1.13 K(o=1.1,f=-0.081) USER MOD Single : A 305 THR OG1 : rot 180:sc= 0 USER MOD Single : A 306 THR OG1 : rot -165:sc= 0.993 USER MOD Single : A 307 GLN : amide:sc= 0.981 K(o=0.98,f=-0.013) USER MOD Single : B 206 SER OG : rot 180:sc= 0.0534 USER MOD Single : B 212 SER OG : rot 180:sc= 0 USER MOD Single : B 214 TYR OH : rot 180:sc= 0 USER MOD Single : B 216 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 280 13.480 8.117 -8.415 1.00 15.00 N ATOM 2 CA GLY A 280 13.797 8.683 -7.081 1.00 15.00 C ATOM 3 C GLY A 280 13.927 7.601 -6.028 1.00 15.00 C ATOM 4 O GLY A 280 14.028 6.424 -6.369 1.00 15.00 O ATOM 0 HA2 GLY A 280 14.727 9.249 -7.138 1.00 15.00 H new ATOM 0 HA3 GLY A 280 13.015 9.384 -6.788 1.00 15.00 H new ATOM 10 N PRO A 281 13.914 7.963 -4.733 1.00 15.00 N ATOM 11 CA PRO A 281 14.062 6.996 -3.635 1.00 15.00 C ATOM 12 C PRO A 281 12.802 6.159 -3.404 1.00 15.00 C ATOM 13 O PRO A 281 12.786 5.251 -2.571 1.00 15.00 O ATOM 14 CB PRO A 281 14.343 7.884 -2.423 1.00 15.00 C ATOM 15 CG PRO A 281 13.674 9.178 -2.740 1.00 15.00 C ATOM 16 CD PRO A 281 13.774 9.347 -4.233 1.00 15.00 C ATOM 0 HA PRO A 281 14.844 6.266 -3.843 1.00 15.00 H new ATOM 0 HB2 PRO A 281 13.943 7.445 -1.509 1.00 15.00 H new ATOM 0 HB3 PRO A 281 15.414 8.019 -2.270 1.00 15.00 H new ATOM 0 HG2 PRO A 281 12.633 9.167 -2.418 1.00 15.00 H new ATOM 0 HG3 PRO A 281 14.159 10.005 -2.221 1.00 15.00 H new ATOM 0 HD2 PRO A 281 12.888 9.833 -4.641 1.00 15.00 H new ATOM 0 HD3 PRO A 281 14.631 9.962 -4.510 1.00 15.00 H new ATOM 24 N LEU A 282 11.745 6.486 -4.134 1.00 15.00 N ATOM 25 CA LEU A 282 10.486 5.765 -4.036 1.00 15.00 C ATOM 26 C LEU A 282 9.723 5.916 -5.349 1.00 15.00 C ATOM 27 O LEU A 282 9.371 7.030 -5.740 1.00 15.00 O ATOM 28 CB LEU A 282 9.664 6.302 -2.851 1.00 15.00 C ATOM 29 CG LEU A 282 8.585 5.365 -2.282 1.00 15.00 C ATOM 30 CD1 LEU A 282 7.413 5.221 -3.238 1.00 15.00 C ATOM 31 CD2 LEU A 282 9.178 4.000 -1.961 1.00 15.00 C ATOM 0 H LEU A 282 11.736 7.253 -4.806 1.00 15.00 H new ATOM 0 HA LEU A 282 10.675 4.706 -3.859 1.00 15.00 H new ATOM 0 HB2 LEU A 282 10.353 6.557 -2.046 1.00 15.00 H new ATOM 0 HB3 LEU A 282 9.181 7.228 -3.163 1.00 15.00 H new ATOM 0 HG LEU A 282 8.211 5.812 -1.361 1.00 15.00 H new ATOM 0 HD11 LEU A 282 6.670 4.552 -2.804 1.00 15.00 H new ATOM 0 HD12 LEU A 282 6.964 6.199 -3.413 1.00 15.00 H new ATOM 0 HD13 LEU A 282 7.764 4.809 -4.184 1.00 15.00 H new ATOM 0 HD21 LEU A 282 8.400 3.351 -1.560 1.00 15.00 H new ATOM 0 HD22 LEU A 282 9.586 3.558 -2.870 1.00 15.00 H new ATOM 0 HD23 LEU A 282 9.973 4.113 -1.224 1.00 15.00 H new ATOM 43 N PRO A 283 9.490 4.796 -6.056 1.00 15.00 N ATOM 44 CA PRO A 283 8.786 4.790 -7.348 1.00 15.00 C ATOM 45 C PRO A 283 7.468 5.565 -7.309 1.00 15.00 C ATOM 46 O PRO A 283 6.619 5.315 -6.455 1.00 15.00 O ATOM 47 CB PRO A 283 8.520 3.303 -7.591 1.00 15.00 C ATOM 48 CG PRO A 283 9.610 2.601 -6.861 1.00 15.00 C ATOM 49 CD PRO A 283 9.899 3.438 -5.646 1.00 15.00 C ATOM 0 HA PRO A 283 9.371 5.274 -8.130 1.00 15.00 H new ATOM 0 HB2 PRO A 283 7.539 3.010 -7.216 1.00 15.00 H new ATOM 0 HB3 PRO A 283 8.539 3.066 -8.655 1.00 15.00 H new ATOM 0 HG2 PRO A 283 9.304 1.594 -6.578 1.00 15.00 H new ATOM 0 HG3 PRO A 283 10.497 2.501 -7.486 1.00 15.00 H new ATOM 0 HD2 PRO A 283 9.335 3.094 -4.779 1.00 15.00 H new ATOM 0 HD3 PRO A 283 10.954 3.401 -5.375 1.00 15.00 H new ATOM 57 N PRO A 284 7.278 6.507 -8.251 1.00 15.00 N ATOM 58 CA PRO A 284 6.087 7.374 -8.294 1.00 15.00 C ATOM 59 C PRO A 284 4.797 6.615 -8.603 1.00 15.00 C ATOM 60 O PRO A 284 3.710 7.199 -8.619 1.00 15.00 O ATOM 61 CB PRO A 284 6.403 8.362 -9.418 1.00 15.00 C ATOM 62 CG PRO A 284 7.393 7.658 -10.276 1.00 15.00 C ATOM 63 CD PRO A 284 8.215 6.813 -9.346 1.00 15.00 C ATOM 0 HA PRO A 284 5.905 7.842 -7.326 1.00 15.00 H new ATOM 0 HB2 PRO A 284 5.506 8.621 -9.980 1.00 15.00 H new ATOM 0 HB3 PRO A 284 6.812 9.292 -9.024 1.00 15.00 H new ATOM 0 HG2 PRO A 284 6.894 7.043 -11.025 1.00 15.00 H new ATOM 0 HG3 PRO A 284 8.019 8.369 -10.814 1.00 15.00 H new ATOM 0 HD2 PRO A 284 8.572 5.907 -9.835 1.00 15.00 H new ATOM 0 HD3 PRO A 284 9.094 7.348 -8.986 1.00 15.00 H new ATOM 71 N GLY A 285 4.922 5.323 -8.875 1.00 15.00 N ATOM 72 CA GLY A 285 3.758 4.483 -9.072 1.00 15.00 C ATOM 73 C GLY A 285 3.256 3.913 -7.760 1.00 15.00 C ATOM 74 O GLY A 285 2.128 3.424 -7.670 1.00 15.00 O ATOM 0 H GLY A 285 5.816 4.839 -8.963 1.00 15.00 H new ATOM 0 HA2 GLY A 285 2.965 5.063 -9.545 1.00 15.00 H new ATOM 0 HA3 GLY A 285 4.007 3.669 -9.752 1.00 15.00 H new ATOM 78 N TRP A 286 4.104 3.998 -6.742 1.00 15.00 N ATOM 79 CA TRP A 286 3.787 3.479 -5.422 1.00 15.00 C ATOM 80 C TRP A 286 3.136 4.546 -4.562 1.00 15.00 C ATOM 81 O TRP A 286 3.780 5.525 -4.175 1.00 15.00 O ATOM 82 CB TRP A 286 5.056 2.939 -4.742 1.00 15.00 C ATOM 83 CG TRP A 286 5.384 1.551 -5.184 1.00 15.00 C ATOM 84 CD1 TRP A 286 5.599 1.138 -6.466 1.00 15.00 C ATOM 85 CD2 TRP A 286 5.500 0.386 -4.357 1.00 15.00 C ATOM 86 NE1 TRP A 286 5.814 -0.215 -6.495 1.00 15.00 N ATOM 87 CE2 TRP A 286 5.755 -0.703 -5.218 1.00 15.00 C ATOM 88 CE3 TRP A 286 5.402 0.144 -2.977 1.00 15.00 C ATOM 89 CZ2 TRP A 286 5.905 -2.005 -4.751 1.00 15.00 C ATOM 90 CZ3 TRP A 286 5.546 -1.152 -2.528 1.00 15.00 C ATOM 91 CH2 TRP A 286 5.786 -2.211 -3.408 1.00 15.00 C ATOM 0 H TRP A 286 5.027 4.427 -6.810 1.00 15.00 H new ATOM 0 HA TRP A 286 3.077 2.660 -5.538 1.00 15.00 H new ATOM 0 HB2 TRP A 286 5.895 3.598 -4.966 1.00 15.00 H new ATOM 0 HB3 TRP A 286 4.921 2.952 -3.661 1.00 15.00 H new ATOM 0 HD1 TRP A 286 5.600 1.783 -7.332 1.00 15.00 H new ATOM 0 HE1 TRP A 286 5.990 -0.769 -7.333 1.00 15.00 H new ATOM 0 HE3 TRP A 286 5.218 0.952 -2.285 1.00 15.00 H new ATOM 0 HZ2 TRP A 286 6.108 -2.822 -5.427 1.00 15.00 H new ATOM 0 HZ3 TRP A 286 5.471 -1.354 -1.470 1.00 15.00 H new ATOM 0 HH2 TRP A 286 5.879 -3.213 -3.016 1.00 15.00 H new ATOM 102 N GLU A 287 1.848 4.380 -4.289 1.00 15.00 N ATOM 103 CA GLU A 287 1.151 5.281 -3.396 1.00 15.00 C ATOM 104 C GLU A 287 1.204 4.706 -1.983 1.00 15.00 C ATOM 105 O GLU A 287 0.585 3.677 -1.688 1.00 15.00 O ATOM 106 CB GLU A 287 -0.285 5.487 -3.884 1.00 15.00 C ATOM 107 CG GLU A 287 -1.178 6.268 -2.931 1.00 15.00 C ATOM 108 CD GLU A 287 -0.811 7.737 -2.854 1.00 15.00 C ATOM 109 OE1 GLU A 287 -1.156 8.492 -3.787 1.00 15.00 O1- ATOM 110 OE2 GLU A 287 -0.177 8.146 -1.861 1.00 15.00 O ATOM 0 H GLU A 287 1.272 3.632 -4.674 1.00 15.00 H new ATOM 0 HA GLU A 287 1.629 6.261 -3.385 1.00 15.00 H new ATOM 0 HB2 GLU A 287 -0.257 6.007 -4.842 1.00 15.00 H new ATOM 0 HB3 GLU A 287 -0.736 4.511 -4.064 1.00 15.00 H new ATOM 0 HG2 GLU A 287 -2.215 6.174 -3.252 1.00 15.00 H new ATOM 0 HG3 GLU A 287 -1.112 5.829 -1.936 1.00 15.00 H new ATOM 117 N VAL A 288 1.996 5.345 -1.134 1.00 15.00 N ATOM 118 CA VAL A 288 2.265 4.837 0.203 1.00 15.00 C ATOM 119 C VAL A 288 1.272 5.398 1.217 1.00 15.00 C ATOM 120 O VAL A 288 1.189 6.609 1.426 1.00 15.00 O ATOM 121 CB VAL A 288 3.721 5.154 0.635 1.00 15.00 C ATOM 122 CG1 VAL A 288 4.032 6.638 0.497 1.00 15.00 C ATOM 123 CG2 VAL A 288 3.983 4.681 2.057 1.00 15.00 C ATOM 0 H VAL A 288 2.467 6.224 -1.350 1.00 15.00 H new ATOM 0 HA VAL A 288 2.144 3.754 0.175 1.00 15.00 H new ATOM 0 HB VAL A 288 4.387 4.610 -0.035 1.00 15.00 H new ATOM 0 HG11 VAL A 288 5.060 6.825 0.808 1.00 15.00 H new ATOM 0 HG12 VAL A 288 3.907 6.941 -0.543 1.00 15.00 H new ATOM 0 HG13 VAL A 288 3.352 7.212 1.127 1.00 15.00 H new ATOM 0 HG21 VAL A 288 5.011 4.915 2.335 1.00 15.00 H new ATOM 0 HG22 VAL A 288 3.299 5.184 2.740 1.00 15.00 H new ATOM 0 HG23 VAL A 288 3.828 3.604 2.117 1.00 15.00 H new ATOM 133 N ARG A 289 0.509 4.506 1.832 1.00 15.00 N ATOM 134 CA ARG A 289 -0.515 4.892 2.791 1.00 15.00 C ATOM 135 C ARG A 289 -0.435 4.017 4.037 1.00 15.00 C ATOM 136 O ARG A 289 -0.016 2.862 3.966 1.00 15.00 O ATOM 137 CB ARG A 289 -1.898 4.805 2.136 1.00 15.00 C ATOM 138 CG ARG A 289 -2.097 5.836 1.039 1.00 15.00 C ATOM 139 CD ARG A 289 -1.933 7.250 1.576 1.00 15.00 C ATOM 140 NE ARG A 289 -1.652 8.213 0.514 1.00 15.00 N ATOM 141 CZ ARG A 289 -1.943 9.510 0.584 1.00 15.00 C ATOM 142 NH1 ARG A 289 -2.521 10.008 1.670 1.00 15.00 N1+ ATOM 143 NH2 ARG A 289 -1.640 10.308 -0.430 1.00 15.00 N ATOM 0 H ARG A 289 0.582 3.500 1.681 1.00 15.00 H new ATOM 0 HA ARG A 289 -0.347 5.923 3.101 1.00 15.00 H new ATOM 0 HB2 ARG A 289 -2.035 3.807 1.719 1.00 15.00 H new ATOM 0 HB3 ARG A 289 -2.665 4.940 2.899 1.00 15.00 H new ATOM 0 HG2 ARG A 289 -1.378 5.663 0.239 1.00 15.00 H new ATOM 0 HG3 ARG A 289 -3.090 5.722 0.605 1.00 15.00 H new ATOM 0 HD2 ARG A 289 -2.841 7.545 2.101 1.00 15.00 H new ATOM 0 HD3 ARG A 289 -1.123 7.269 2.305 1.00 15.00 H new ATOM 0 HE ARG A 289 -1.204 7.869 -0.336 1.00 15.00 H new ATOM 0 HH11 ARG A 289 -2.744 9.396 2.455 1.00 15.00 H new ATOM 0 HH12 ARG A 289 -2.742 11.002 1.719 1.00 15.00 H new ATOM 0 HH21 ARG A 289 -1.185 9.928 -1.260 1.00 15.00 H new ATOM 0 HH22 ARG A 289 -1.861 11.302 -0.380 1.00 15.00 H new ATOM 157 N SER A 290 -0.815 4.571 5.177 1.00 15.00 N ATOM 158 CA SER A 290 -0.726 3.858 6.445 1.00 15.00 C ATOM 159 C SER A 290 -2.045 3.938 7.209 1.00 15.00 C ATOM 160 O SER A 290 -2.678 4.990 7.272 1.00 15.00 O ATOM 161 CB SER A 290 0.406 4.441 7.292 1.00 15.00 C ATOM 162 OG SER A 290 1.614 4.480 6.559 1.00 15.00 O ATOM 0 H SER A 290 -1.190 5.517 5.252 1.00 15.00 H new ATOM 0 HA SER A 290 -0.516 2.809 6.235 1.00 15.00 H new ATOM 0 HB2 SER A 290 0.141 5.447 7.618 1.00 15.00 H new ATOM 0 HB3 SER A 290 0.540 3.839 8.191 1.00 15.00 H new ATOM 0 HG SER A 290 2.324 4.858 7.119 1.00 15.00 H new ATOM 168 N THR A 291 -2.439 2.826 7.807 1.00 15.00 N ATOM 169 CA THR A 291 -3.672 2.768 8.573 1.00 15.00 C ATOM 170 C THR A 291 -3.420 3.128 10.033 1.00 15.00 C ATOM 171 O THR A 291 -2.332 2.881 10.563 1.00 15.00 O ATOM 172 CB THR A 291 -4.322 1.375 8.494 1.00 15.00 C ATOM 173 OG1 THR A 291 -3.309 0.358 8.543 1.00 15.00 O ATOM 174 CG2 THR A 291 -5.144 1.230 7.221 1.00 15.00 C ATOM 0 H THR A 291 -1.920 1.948 7.776 1.00 15.00 H new ATOM 0 HA THR A 291 -4.356 3.495 8.135 1.00 15.00 H new ATOM 0 HB THR A 291 -4.990 1.259 9.348 1.00 15.00 H new ATOM 0 HG1 THR A 291 -3.709 -0.512 8.335 1.00 15.00 H new ATOM 0 HG21 THR A 291 -5.593 0.237 7.189 1.00 15.00 H new ATOM 0 HG22 THR A 291 -5.931 1.984 7.208 1.00 15.00 H new ATOM 0 HG23 THR A 291 -4.498 1.364 6.353 1.00 15.00 H new ATOM 182 N VAL A 292 -4.433 3.703 10.675 1.00 15.00 N ATOM 183 CA VAL A 292 -4.332 4.154 12.066 1.00 15.00 C ATOM 184 C VAL A 292 -4.041 3.002 13.033 1.00 15.00 C ATOM 185 O VAL A 292 -3.657 3.226 14.184 1.00 15.00 O ATOM 186 CB VAL A 292 -5.613 4.890 12.512 1.00 15.00 C ATOM 187 CG1 VAL A 292 -5.792 6.175 11.717 1.00 15.00 C ATOM 188 CG2 VAL A 292 -6.831 3.991 12.360 1.00 15.00 C ATOM 0 H VAL A 292 -5.345 3.871 10.251 1.00 15.00 H new ATOM 0 HA VAL A 292 -3.490 4.846 12.100 1.00 15.00 H new ATOM 0 HB VAL A 292 -5.511 5.148 13.566 1.00 15.00 H new ATOM 0 HG11 VAL A 292 -6.700 6.682 12.044 1.00 15.00 H new ATOM 0 HG12 VAL A 292 -4.934 6.827 11.881 1.00 15.00 H new ATOM 0 HG13 VAL A 292 -5.871 5.938 10.656 1.00 15.00 H new ATOM 0 HG21 VAL A 292 -7.723 4.530 12.680 1.00 15.00 H new ATOM 0 HG22 VAL A 292 -6.939 3.698 11.316 1.00 15.00 H new ATOM 0 HG23 VAL A 292 -6.705 3.100 12.975 1.00 15.00 H new ATOM 198 N SER A 293 -4.225 1.772 12.564 1.00 15.00 N ATOM 199 CA SER A 293 -3.884 0.585 13.342 1.00 15.00 C ATOM 200 C SER A 293 -2.365 0.478 13.508 1.00 15.00 C ATOM 201 O SER A 293 -1.869 -0.282 14.337 1.00 15.00 O ATOM 202 CB SER A 293 -4.442 -0.675 12.672 1.00 15.00 C ATOM 203 OG SER A 293 -4.141 -1.847 13.414 1.00 15.00 O ATOM 0 H SER A 293 -4.611 1.570 11.642 1.00 15.00 H new ATOM 0 HA SER A 293 -4.335 0.675 14.330 1.00 15.00 H new ATOM 0 HB2 SER A 293 -5.523 -0.581 12.565 1.00 15.00 H new ATOM 0 HB3 SER A 293 -4.029 -0.765 11.667 1.00 15.00 H new ATOM 0 HG SER A 293 -3.379 -1.673 14.006 1.00 15.00 H new ATOM 209 N GLY A 294 -1.636 1.242 12.706 1.00 15.00 N ATOM 210 CA GLY A 294 -0.193 1.176 12.724 1.00 15.00 C ATOM 211 C GLY A 294 0.331 0.150 11.745 1.00 15.00 C ATOM 212 O GLY A 294 1.207 -0.647 12.066 1.00 15.00 O ATOM 0 H GLY A 294 -2.024 1.910 12.040 1.00 15.00 H new ATOM 0 HA2 GLY A 294 0.219 2.155 12.481 1.00 15.00 H new ATOM 0 HA3 GLY A 294 0.148 0.927 13.729 1.00 15.00 H new ATOM 216 N ARG A 295 -0.225 0.166 10.544 1.00 15.00 N ATOM 217 CA ARG A 295 0.199 -0.743 9.492 1.00 15.00 C ATOM 218 C ARG A 295 0.444 0.028 8.208 1.00 15.00 C ATOM 219 O ARG A 295 -0.324 0.931 7.866 1.00 15.00 O ATOM 220 CB ARG A 295 -0.861 -1.824 9.240 1.00 15.00 C ATOM 221 CG ARG A 295 -1.000 -2.826 10.371 1.00 15.00 C ATOM 222 CD ARG A 295 -1.940 -3.969 10.007 1.00 15.00 C ATOM 223 NE ARG A 295 -3.326 -3.525 9.862 1.00 15.00 N ATOM 224 CZ ARG A 295 -4.379 -4.338 9.964 1.00 15.00 C ATOM 225 NH1 ARG A 295 -4.206 -5.634 10.218 1.00 15.00 N1+ ATOM 226 NH2 ARG A 295 -5.605 -3.853 9.807 1.00 15.00 N ATOM 0 H ARG A 295 -0.975 0.802 10.273 1.00 15.00 H new ATOM 0 HA ARG A 295 1.122 -1.225 9.814 1.00 15.00 H new ATOM 0 HB2 ARG A 295 -1.825 -1.342 9.074 1.00 15.00 H new ATOM 0 HB3 ARG A 295 -0.610 -2.358 8.324 1.00 15.00 H new ATOM 0 HG2 ARG A 295 -0.019 -3.229 10.621 1.00 15.00 H new ATOM 0 HG3 ARG A 295 -1.373 -2.319 11.261 1.00 15.00 H new ATOM 0 HD2 ARG A 295 -1.608 -4.426 9.075 1.00 15.00 H new ATOM 0 HD3 ARG A 295 -1.886 -4.739 10.776 1.00 15.00 H new ATOM 0 HE ARG A 295 -3.497 -2.538 9.672 1.00 15.00 H new ATOM 0 HH11 ARG A 295 -3.265 -6.009 10.336 1.00 15.00 H new ATOM 0 HH12 ARG A 295 -5.015 -6.251 10.295 1.00 15.00 H new ATOM 0 HH21 ARG A 295 -5.740 -2.862 9.609 1.00 15.00 H new ATOM 0 HH22 ARG A 295 -6.412 -4.472 9.884 1.00 15.00 H new ATOM 240 N ILE A 296 1.486 -0.349 7.486 1.00 15.00 N ATOM 241 CA ILE A 296 1.760 0.240 6.188 1.00 15.00 C ATOM 242 C ILE A 296 1.032 -0.584 5.142 1.00 15.00 C ATOM 243 O ILE A 296 0.931 -1.804 5.274 1.00 15.00 O ATOM 244 CB ILE A 296 3.281 0.276 5.875 1.00 15.00 C ATOM 245 CG1 ILE A 296 3.564 1.068 4.594 1.00 15.00 C ATOM 246 CG2 ILE A 296 3.853 -1.130 5.753 1.00 15.00 C ATOM 247 CD1 ILE A 296 3.235 2.536 4.707 1.00 15.00 C ATOM 0 H ILE A 296 2.156 -1.061 7.778 1.00 15.00 H new ATOM 0 HA ILE A 296 1.413 1.273 6.184 1.00 15.00 H new ATOM 0 HB ILE A 296 3.770 0.778 6.710 1.00 15.00 H new ATOM 0 HG12 ILE A 296 4.617 0.959 4.335 1.00 15.00 H new ATOM 0 HG13 ILE A 296 2.988 0.637 3.775 1.00 15.00 H new ATOM 0 HG21 ILE A 296 4.919 -1.071 5.534 1.00 15.00 H new ATOM 0 HG22 ILE A 296 3.704 -1.666 6.690 1.00 15.00 H new ATOM 0 HG23 ILE A 296 3.346 -1.661 4.947 1.00 15.00 H new ATOM 0 HD11 ILE A 296 3.461 3.033 3.764 1.00 15.00 H new ATOM 0 HD12 ILE A 296 2.176 2.655 4.936 1.00 15.00 H new ATOM 0 HD13 ILE A 296 3.831 2.982 5.504 1.00 15.00 H new ATOM 259 N TYR A 297 0.493 0.066 4.131 1.00 15.00 N ATOM 260 CA TYR A 297 -0.312 -0.640 3.164 1.00 15.00 C ATOM 261 C TYR A 297 -0.200 0.037 1.829 1.00 15.00 C ATOM 262 O TYR A 297 -0.356 1.254 1.699 1.00 15.00 O ATOM 263 CB TYR A 297 -1.779 -0.786 3.608 1.00 15.00 C ATOM 264 CG TYR A 297 -2.665 0.430 3.416 1.00 15.00 C ATOM 265 CD1 TYR A 297 -3.367 0.625 2.225 1.00 15.00 C ATOM 266 CD2 TYR A 297 -2.836 1.358 4.433 1.00 15.00 C ATOM 267 CE1 TYR A 297 -4.202 1.710 2.059 1.00 15.00 C ATOM 268 CE2 TYR A 297 -3.678 2.443 4.274 1.00 15.00 C ATOM 269 CZ TYR A 297 -4.356 2.613 3.085 1.00 15.00 C ATOM 270 OH TYR A 297 -5.196 3.690 2.922 1.00 15.00 O ATOM 0 H TYR A 297 0.597 1.066 3.961 1.00 15.00 H new ATOM 0 HA TYR A 297 0.073 -1.656 3.081 1.00 15.00 H new ATOM 0 HB2 TYR A 297 -2.220 -1.620 3.062 1.00 15.00 H new ATOM 0 HB3 TYR A 297 -1.791 -1.055 4.664 1.00 15.00 H new ATOM 0 HD1 TYR A 297 -3.254 -0.086 1.420 1.00 15.00 H new ATOM 0 HD2 TYR A 297 -2.303 1.231 5.364 1.00 15.00 H new ATOM 0 HE1 TYR A 297 -4.732 1.850 1.128 1.00 15.00 H new ATOM 0 HE2 TYR A 297 -3.804 3.154 5.077 1.00 15.00 H new ATOM 0 HH TYR A 297 -5.221 4.214 3.750 1.00 15.00 H new ATOM 280 N PHE A 298 0.100 -0.751 0.848 1.00 15.00 N ATOM 281 CA PHE A 298 0.319 -0.249 -0.460 1.00 15.00 C ATOM 282 C PHE A 298 -0.847 -0.373 -1.369 1.00 15.00 C ATOM 283 O PHE A 298 -1.603 -1.337 -1.333 1.00 15.00 O ATOM 284 CB PHE A 298 1.508 -0.920 -1.067 1.00 15.00 C ATOM 285 CG PHE A 298 2.723 -0.159 -0.762 1.00 15.00 C ATOM 286 CD1 PHE A 298 2.831 1.126 -1.253 1.00 15.00 C ATOM 287 CD2 PHE A 298 3.749 -0.698 -0.016 1.00 15.00 C ATOM 288 CE1 PHE A 298 3.944 1.868 -1.013 1.00 15.00 C ATOM 289 CE2 PHE A 298 4.881 0.041 0.218 1.00 15.00 C ATOM 290 CZ PHE A 298 4.967 1.324 -0.286 1.00 15.00 C ATOM 0 H PHE A 298 0.199 -1.762 0.936 1.00 15.00 H new ATOM 0 HA PHE A 298 0.493 0.821 -0.344 1.00 15.00 H new ATOM 0 HB2 PHE A 298 1.599 -1.936 -0.682 1.00 15.00 H new ATOM 0 HB3 PHE A 298 1.380 -0.999 -2.147 1.00 15.00 H new ATOM 0 HD1 PHE A 298 2.023 1.546 -1.834 1.00 15.00 H new ATOM 0 HD2 PHE A 298 3.662 -1.698 0.383 1.00 15.00 H new ATOM 0 HE1 PHE A 298 4.020 2.876 -1.392 1.00 15.00 H new ATOM 0 HE2 PHE A 298 5.696 -0.376 0.790 1.00 15.00 H new ATOM 0 HZ PHE A 298 5.857 1.908 -0.103 1.00 15.00 H new ATOM 300 N VAL A 299 -0.928 0.621 -2.213 1.00 15.00 N ATOM 301 CA VAL A 299 -1.842 0.627 -3.317 1.00 15.00 C ATOM 302 C VAL A 299 -1.070 1.112 -4.544 1.00 15.00 C ATOM 303 O VAL A 299 -0.809 2.309 -4.741 1.00 15.00 O ATOM 304 CB VAL A 299 -3.130 1.457 -3.040 1.00 15.00 C ATOM 305 CG1 VAL A 299 -3.968 0.804 -1.948 1.00 15.00 C ATOM 306 CG2 VAL A 299 -2.816 2.886 -2.648 1.00 15.00 C ATOM 0 H VAL A 299 -0.351 1.460 -2.149 1.00 15.00 H new ATOM 0 HA VAL A 299 -2.218 -0.381 -3.490 1.00 15.00 H new ATOM 0 HB VAL A 299 -3.696 1.478 -3.971 1.00 15.00 H new ATOM 0 HG11 VAL A 299 -4.863 1.400 -1.771 1.00 15.00 H new ATOM 0 HG12 VAL A 299 -4.257 -0.199 -2.262 1.00 15.00 H new ATOM 0 HG13 VAL A 299 -3.385 0.743 -1.029 1.00 15.00 H new ATOM 0 HG21 VAL A 299 -3.745 3.426 -2.465 1.00 15.00 H new ATOM 0 HG22 VAL A 299 -2.210 2.890 -1.742 1.00 15.00 H new ATOM 0 HG23 VAL A 299 -2.267 3.372 -3.454 1.00 15.00 H new ATOM 316 N ASP A 300 -0.596 0.136 -5.300 1.00 15.00 N ATOM 317 CA ASP A 300 0.191 0.395 -6.490 1.00 15.00 C ATOM 318 C ASP A 300 -0.730 0.511 -7.688 1.00 15.00 C ATOM 319 O ASP A 300 -1.548 -0.374 -7.936 1.00 15.00 O ATOM 320 CB ASP A 300 1.231 -0.718 -6.690 1.00 15.00 C ATOM 321 CG ASP A 300 1.637 -0.896 -8.142 1.00 15.00 C ATOM 322 OD1 ASP A 300 2.406 -0.066 -8.660 1.00 15.00 O ATOM 323 OD2 ASP A 300 1.182 -1.871 -8.771 1.00 15.00 O1- ATOM 0 H ASP A 300 -0.746 -0.854 -5.106 1.00 15.00 H new ATOM 0 HA ASP A 300 0.730 1.336 -6.376 1.00 15.00 H new ATOM 0 HB2 ASP A 300 2.116 -0.491 -6.096 1.00 15.00 H new ATOM 0 HB3 ASP A 300 0.827 -1.658 -6.314 1.00 15.00 H new ATOM 328 N HIS A 301 -0.591 1.607 -8.422 1.00 15.00 N ATOM 329 CA HIS A 301 -1.504 1.920 -9.517 1.00 15.00 C ATOM 330 C HIS A 301 -1.235 1.057 -10.747 1.00 15.00 C ATOM 331 O HIS A 301 -2.055 1.008 -11.660 1.00 15.00 O ATOM 332 CB HIS A 301 -1.419 3.398 -9.914 1.00 15.00 C ATOM 333 CG HIS A 301 -1.936 4.359 -8.884 1.00 15.00 C ATOM 334 ND1 HIS A 301 -3.263 4.433 -8.517 1.00 15.00 N ATOM 335 CD2 HIS A 301 -1.301 5.330 -8.187 1.00 15.00 C ATOM 336 CE1 HIS A 301 -3.422 5.418 -7.650 1.00 15.00 C ATOM 337 NE2 HIS A 301 -2.247 5.973 -7.429 1.00 15.00 N ATOM 0 H HIS A 301 0.147 2.297 -8.280 1.00 15.00 H new ATOM 0 HA HIS A 301 -2.507 1.704 -9.149 1.00 15.00 H new ATOM 0 HB2 HIS A 301 -0.379 3.642 -10.128 1.00 15.00 H new ATOM 0 HB3 HIS A 301 -1.978 3.544 -10.839 1.00 15.00 H new ATOM 0 HD2 HIS A 301 -0.246 5.557 -8.221 1.00 15.00 H new ATOM 0 HE1 HIS A 301 -4.357 5.717 -7.199 1.00 15.00 H new ATOM 0 HE2 HIS A 301 -2.070 6.754 -6.797 1.00 15.00 H new ATOM 346 N ASN A 302 -0.080 0.404 -10.781 1.00 15.00 N ATOM 347 CA ASN A 302 0.280 -0.429 -11.923 1.00 15.00 C ATOM 348 C ASN A 302 -0.524 -1.721 -11.911 1.00 15.00 C ATOM 349 O ASN A 302 -1.183 -2.066 -12.891 1.00 15.00 O ATOM 350 CB ASN A 302 1.779 -0.751 -11.925 1.00 15.00 C ATOM 351 CG ASN A 302 2.650 0.481 -12.094 1.00 15.00 C ATOM 352 OD1 ASN A 302 2.924 0.914 -13.215 1.00 15.00 O ATOM 353 ND2 ASN A 302 3.110 1.045 -10.987 1.00 15.00 N ATOM 0 H ASN A 302 0.618 0.434 -10.038 1.00 15.00 H new ATOM 0 HA ASN A 302 0.048 0.131 -12.829 1.00 15.00 H new ATOM 0 HB2 ASN A 302 2.040 -1.248 -10.991 1.00 15.00 H new ATOM 0 HB3 ASN A 302 1.993 -1.454 -12.730 1.00 15.00 H new ATOM 0 HD21 ASN A 302 3.712 1.866 -11.045 1.00 15.00 H new ATOM 0 HD22 ASN A 302 2.862 0.658 -10.076 1.00 15.00 H new ATOM 360 N ASN A 303 -0.467 -2.424 -10.790 1.00 15.00 N ATOM 361 CA ASN A 303 -1.163 -3.696 -10.640 1.00 15.00 C ATOM 362 C ASN A 303 -2.532 -3.499 -10.002 1.00 15.00 C ATOM 363 O ASN A 303 -3.364 -4.408 -10.013 1.00 15.00 O ATOM 364 CB ASN A 303 -0.338 -4.658 -9.780 1.00 15.00 C ATOM 365 CG ASN A 303 1.029 -4.954 -10.364 1.00 15.00 C ATOM 366 OD1 ASN A 303 1.205 -5.919 -11.110 1.00 15.00 O ATOM 367 ND2 ASN A 303 2.004 -4.119 -10.038 1.00 15.00 N ATOM 0 H ASN A 303 0.058 -2.134 -9.965 1.00 15.00 H new ATOM 0 HA ASN A 303 -1.296 -4.120 -11.635 1.00 15.00 H new ATOM 0 HB2 ASN A 303 -0.217 -4.232 -8.784 1.00 15.00 H new ATOM 0 HB3 ASN A 303 -0.887 -5.593 -9.663 1.00 15.00 H new ATOM 0 HD21 ASN A 303 2.944 -4.263 -10.408 1.00 15.00 H new ATOM 0 HD22 ASN A 303 1.815 -3.332 -9.417 1.00 15.00 H new ATOM 374 N ARG A 304 -2.746 -2.313 -9.422 1.00 15.00 N ATOM 375 CA ARG A 304 -3.970 -2.007 -8.675 1.00 15.00 C ATOM 376 C ARG A 304 -4.090 -2.962 -7.493 1.00 15.00 C ATOM 377 O ARG A 304 -5.171 -3.469 -7.189 1.00 15.00 O ATOM 378 CB ARG A 304 -5.206 -2.111 -9.582 1.00 15.00 C ATOM 379 CG ARG A 304 -5.041 -1.388 -10.913 1.00 15.00 C ATOM 380 CD ARG A 304 -6.234 -1.599 -11.833 1.00 15.00 C ATOM 381 NE ARG A 304 -6.647 -3.000 -11.896 1.00 15.00 N ATOM 382 CZ ARG A 304 -7.143 -3.581 -12.984 1.00 15.00 C ATOM 383 NH1 ARG A 304 -7.218 -2.911 -14.127 1.00 15.00 N1+ ATOM 384 NH2 ARG A 304 -7.547 -4.842 -12.927 1.00 15.00 N ATOM 0 H ARG A 304 -2.079 -1.542 -9.457 1.00 15.00 H new ATOM 0 HA ARG A 304 -3.915 -0.982 -8.307 1.00 15.00 H new ATOM 0 HB2 ARG A 304 -5.421 -3.163 -9.772 1.00 15.00 H new ATOM 0 HB3 ARG A 304 -6.068 -1.699 -9.058 1.00 15.00 H new ATOM 0 HG2 ARG A 304 -4.909 -0.321 -10.731 1.00 15.00 H new ATOM 0 HG3 ARG A 304 -4.136 -1.742 -11.407 1.00 15.00 H new ATOM 0 HD2 ARG A 304 -7.070 -0.992 -11.485 1.00 15.00 H new ATOM 0 HD3 ARG A 304 -5.983 -1.251 -12.835 1.00 15.00 H new ATOM 0 HE ARG A 304 -6.549 -3.566 -11.053 1.00 15.00 H new ATOM 0 HH11 ARG A 304 -6.894 -1.945 -14.174 1.00 15.00 H new ATOM 0 HH12 ARG A 304 -7.599 -3.362 -14.958 1.00 15.00 H new ATOM 0 HH21 ARG A 304 -7.476 -5.361 -12.052 1.00 15.00 H new ATOM 0 HH22 ARG A 304 -7.928 -5.293 -13.758 1.00 15.00 H new ATOM 398 N THR A 305 -2.971 -3.175 -6.809 1.00 15.00 N ATOM 399 CA THR A 305 -2.898 -4.193 -5.768 1.00 15.00 C ATOM 400 C THR A 305 -2.625 -3.578 -4.395 1.00 15.00 C ATOM 401 O THR A 305 -1.979 -2.531 -4.288 1.00 15.00 O ATOM 402 CB THR A 305 -1.802 -5.236 -6.101 1.00 15.00 C ATOM 403 OG1 THR A 305 -1.884 -6.351 -5.207 1.00 15.00 O ATOM 404 CG2 THR A 305 -0.408 -4.628 -6.015 1.00 15.00 C ATOM 0 H THR A 305 -2.104 -2.658 -6.956 1.00 15.00 H new ATOM 0 HA THR A 305 -3.868 -4.689 -5.732 1.00 15.00 H new ATOM 0 HB THR A 305 -1.974 -5.571 -7.124 1.00 15.00 H new ATOM 0 HG1 THR A 305 -1.187 -7.002 -5.431 1.00 15.00 H new ATOM 0 HG21 THR A 305 0.336 -5.388 -6.255 1.00 15.00 H new ATOM 0 HG22 THR A 305 -0.326 -3.804 -6.724 1.00 15.00 H new ATOM 0 HG23 THR A 305 -0.235 -4.257 -5.005 1.00 15.00 H new ATOM 412 N THR A 306 -3.135 -4.234 -3.356 1.00 15.00 N ATOM 413 CA THR A 306 -2.902 -3.816 -1.984 1.00 15.00 C ATOM 414 C THR A 306 -1.983 -4.810 -1.272 1.00 15.00 C ATOM 415 O THR A 306 -2.244 -6.013 -1.267 1.00 15.00 O ATOM 416 CB THR A 306 -4.229 -3.701 -1.205 1.00 15.00 C ATOM 417 OG1 THR A 306 -5.124 -2.803 -1.873 1.00 15.00 O ATOM 418 CG2 THR A 306 -3.985 -3.215 0.215 1.00 15.00 C ATOM 0 H THR A 306 -3.718 -5.066 -3.445 1.00 15.00 H new ATOM 0 HA THR A 306 -2.426 -2.836 -2.014 1.00 15.00 H new ATOM 0 HB THR A 306 -4.679 -4.693 -1.163 1.00 15.00 H new ATOM 0 HG1 THR A 306 -5.852 -2.555 -1.266 1.00 15.00 H new ATOM 0 HG21 THR A 306 -4.936 -3.142 0.743 1.00 15.00 H new ATOM 0 HG22 THR A 306 -3.335 -3.919 0.734 1.00 15.00 H new ATOM 0 HG23 THR A 306 -3.509 -2.235 0.187 1.00 15.00 H new ATOM 426 N GLN A 307 -0.906 -4.305 -0.677 1.00 15.00 N ATOM 427 CA GLN A 307 0.070 -5.145 0.020 1.00 15.00 C ATOM 428 C GLN A 307 0.322 -4.609 1.428 1.00 15.00 C ATOM 429 O GLN A 307 0.425 -3.404 1.616 1.00 15.00 O ATOM 430 CB GLN A 307 1.394 -5.160 -0.756 1.00 15.00 C ATOM 431 CG GLN A 307 1.301 -5.778 -2.142 1.00 15.00 C ATOM 432 CD GLN A 307 1.066 -7.273 -2.102 1.00 15.00 C ATOM 433 OE1 GLN A 307 2.011 -8.060 -2.065 1.00 15.00 O ATOM 434 NE2 GLN A 307 -0.192 -7.675 -2.111 1.00 15.00 N ATOM 0 H GLN A 307 -0.684 -3.310 -0.663 1.00 15.00 H new ATOM 0 HA GLN A 307 -0.329 -6.157 0.086 1.00 15.00 H new ATOM 0 HB2 GLN A 307 1.757 -4.137 -0.851 1.00 15.00 H new ATOM 0 HB3 GLN A 307 2.135 -5.709 -0.175 1.00 15.00 H new ATOM 0 HG2 GLN A 307 0.490 -5.302 -2.694 1.00 15.00 H new ATOM 0 HG3 GLN A 307 2.222 -5.574 -2.689 1.00 15.00 H new ATOM 0 HE21 GLN A 307 -0.946 -6.989 -2.142 1.00 15.00 H new ATOM 0 HE22 GLN A 307 -0.409 -8.671 -2.087 1.00 15.00 H new ATOM 443 N PHE A 308 0.441 -5.492 2.408 1.00 15.00 N ATOM 444 CA PHE A 308 0.754 -5.069 3.774 1.00 15.00 C ATOM 445 C PHE A 308 2.259 -5.089 4.020 1.00 15.00 C ATOM 446 O PHE A 308 2.740 -4.609 5.046 1.00 15.00 O ATOM 447 CB PHE A 308 0.052 -5.950 4.805 1.00 15.00 C ATOM 448 CG PHE A 308 -1.174 -5.329 5.420 1.00 15.00 C ATOM 449 CD1 PHE A 308 -1.291 -3.956 5.546 1.00 15.00 C ATOM 450 CD2 PHE A 308 -2.194 -6.126 5.900 1.00 15.00 C ATOM 451 CE1 PHE A 308 -2.407 -3.392 6.139 1.00 15.00 C ATOM 452 CE2 PHE A 308 -3.312 -5.572 6.485 1.00 15.00 C ATOM 453 CZ PHE A 308 -3.421 -4.204 6.607 1.00 15.00 C ATOM 0 H PHE A 308 0.328 -6.499 2.290 1.00 15.00 H new ATOM 0 HA PHE A 308 0.390 -4.048 3.886 1.00 15.00 H new ATOM 0 HB2 PHE A 308 -0.230 -6.890 4.330 1.00 15.00 H new ATOM 0 HB3 PHE A 308 0.758 -6.193 5.599 1.00 15.00 H new ATOM 0 HD1 PHE A 308 -0.502 -3.317 5.177 1.00 15.00 H new ATOM 0 HD2 PHE A 308 -2.115 -7.200 5.816 1.00 15.00 H new ATOM 0 HE1 PHE A 308 -2.485 -2.319 6.236 1.00 15.00 H new ATOM 0 HE2 PHE A 308 -4.103 -6.211 6.848 1.00 15.00 H new ATOM 0 HZ PHE A 308 -4.296 -3.769 7.067 1.00 15.00 H new ATOM 463 N THR A 309 2.996 -5.665 3.086 1.00 15.00 N ATOM 464 CA THR A 309 4.440 -5.741 3.204 1.00 15.00 C ATOM 465 C THR A 309 5.119 -4.593 2.451 1.00 15.00 C ATOM 466 O THR A 309 4.904 -4.400 1.251 1.00 15.00 O ATOM 467 CB THR A 309 4.978 -7.107 2.705 1.00 15.00 C ATOM 468 OG1 THR A 309 6.409 -7.135 2.785 1.00 15.00 O ATOM 469 CG2 THR A 309 4.537 -7.392 1.274 1.00 15.00 C ATOM 0 H THR A 309 2.617 -6.087 2.238 1.00 15.00 H new ATOM 0 HA THR A 309 4.683 -5.647 4.263 1.00 15.00 H new ATOM 0 HB THR A 309 4.562 -7.882 3.349 1.00 15.00 H new ATOM 0 HG1 THR A 309 6.688 -6.985 3.712 1.00 15.00 H new ATOM 0 HG21 THR A 309 4.932 -8.357 0.957 1.00 15.00 H new ATOM 0 HG22 THR A 309 3.448 -7.412 1.226 1.00 15.00 H new ATOM 0 HG23 THR A 309 4.915 -6.611 0.614 1.00 15.00 H new ATOM 477 N ASP A 310 5.908 -3.810 3.180 1.00 15.00 N ATOM 478 CA ASP A 310 6.720 -2.755 2.580 1.00 15.00 C ATOM 479 C ASP A 310 8.110 -3.301 2.274 1.00 15.00 C ATOM 480 O ASP A 310 8.834 -3.712 3.182 1.00 15.00 O ATOM 481 CB ASP A 310 6.821 -1.544 3.517 1.00 15.00 C ATOM 482 CG ASP A 310 7.620 -0.397 2.919 1.00 15.00 C ATOM 483 OD1 ASP A 310 8.859 -0.507 2.841 1.00 15.00 O ATOM 484 OD2 ASP A 310 7.014 0.624 2.542 1.00 15.00 O1- ATOM 0 H ASP A 310 6.003 -3.886 4.193 1.00 15.00 H new ATOM 0 HA ASP A 310 6.245 -2.427 1.655 1.00 15.00 H new ATOM 0 HB2 ASP A 310 5.818 -1.194 3.759 1.00 15.00 H new ATOM 0 HB3 ASP A 310 7.285 -1.854 4.454 1.00 15.00 H new ATOM 489 N PRO A 311 8.500 -3.310 0.993 1.00 15.00 N ATOM 490 CA PRO A 311 9.757 -3.924 0.541 1.00 15.00 C ATOM 491 C PRO A 311 11.000 -3.163 0.999 1.00 15.00 C ATOM 492 O PRO A 311 12.120 -3.671 0.924 1.00 15.00 O ATOM 493 CB PRO A 311 9.637 -3.883 -0.981 1.00 15.00 C ATOM 494 CG PRO A 311 8.744 -2.723 -1.250 1.00 15.00 C ATOM 495 CD PRO A 311 7.747 -2.715 -0.127 1.00 15.00 C ATOM 0 HA PRO A 311 9.884 -4.925 0.954 1.00 15.00 H new ATOM 0 HB2 PRO A 311 10.611 -3.753 -1.453 1.00 15.00 H new ATOM 0 HB3 PRO A 311 9.215 -4.809 -1.372 1.00 15.00 H new ATOM 0 HG2 PRO A 311 9.309 -1.791 -1.280 1.00 15.00 H new ATOM 0 HG3 PRO A 311 8.247 -2.826 -2.215 1.00 15.00 H new ATOM 0 HD2 PRO A 311 7.410 -1.705 0.105 1.00 15.00 H new ATOM 0 HD3 PRO A 311 6.860 -3.299 -0.372 1.00 15.00 H new ATOM 503 N ARG A 312 10.794 -1.937 1.448 1.00 15.00 N ATOM 504 CA ARG A 312 11.885 -1.076 1.877 1.00 15.00 C ATOM 505 C ARG A 312 12.147 -1.236 3.374 1.00 15.00 C ATOM 506 O ARG A 312 13.281 -1.104 3.835 1.00 15.00 O ATOM 507 CB ARG A 312 11.537 0.376 1.529 1.00 15.00 C ATOM 508 CG ARG A 312 12.038 1.411 2.524 1.00 15.00 C ATOM 509 CD ARG A 312 11.276 2.713 2.364 1.00 15.00 C ATOM 510 NE ARG A 312 9.827 2.493 2.395 1.00 15.00 N ATOM 511 CZ ARG A 312 8.920 3.447 2.196 1.00 15.00 C ATOM 512 NH1 ARG A 312 9.297 4.709 2.030 1.00 15.00 N1+ ATOM 513 NH2 ARG A 312 7.630 3.139 2.176 1.00 15.00 N ATOM 0 H ARG A 312 9.871 -1.511 1.526 1.00 15.00 H new ATOM 0 HA ARG A 312 12.800 -1.360 1.357 1.00 15.00 H new ATOM 0 HB2 ARG A 312 11.950 0.608 0.547 1.00 15.00 H new ATOM 0 HB3 ARG A 312 10.454 0.465 1.449 1.00 15.00 H new ATOM 0 HG2 ARG A 312 11.918 1.035 3.540 1.00 15.00 H new ATOM 0 HG3 ARG A 312 13.103 1.585 2.372 1.00 15.00 H new ATOM 0 HD2 ARG A 312 11.558 3.401 3.161 1.00 15.00 H new ATOM 0 HD3 ARG A 312 11.554 3.185 1.422 1.00 15.00 H new ATOM 0 HE ARG A 312 9.492 1.548 2.581 1.00 15.00 H new ATOM 0 HH11 ARG A 312 10.287 4.953 2.054 1.00 15.00 H new ATOM 0 HH12 ARG A 312 8.597 5.435 1.878 1.00 15.00 H new ATOM 0 HH21 ARG A 312 7.334 2.172 2.313 1.00 15.00 H new ATOM 0 HH22 ARG A 312 6.934 3.869 2.024 1.00 15.00 H new ATOM 527 N LEU A 313 11.088 -1.503 4.126 1.00 15.00 N ATOM 528 CA LEU A 313 11.193 -1.645 5.572 1.00 15.00 C ATOM 529 C LEU A 313 11.416 -3.100 5.968 1.00 15.00 C ATOM 530 O LEU A 313 11.762 -3.397 7.112 1.00 15.00 O ATOM 531 CB LEU A 313 9.927 -1.114 6.254 1.00 15.00 C ATOM 532 CG LEU A 313 9.578 0.343 5.942 1.00 15.00 C ATOM 533 CD1 LEU A 313 8.290 0.743 6.646 1.00 15.00 C ATOM 534 CD2 LEU A 313 10.716 1.267 6.350 1.00 15.00 C ATOM 0 H LEU A 313 10.145 -1.626 3.758 1.00 15.00 H new ATOM 0 HA LEU A 313 12.053 -1.061 5.901 1.00 15.00 H new ATOM 0 HB2 LEU A 313 9.086 -1.742 5.962 1.00 15.00 H new ATOM 0 HB3 LEU A 313 10.044 -1.219 7.333 1.00 15.00 H new ATOM 0 HG LEU A 313 9.429 0.437 4.866 1.00 15.00 H new ATOM 0 HD11 LEU A 313 8.056 1.782 6.414 1.00 15.00 H new ATOM 0 HD12 LEU A 313 7.476 0.103 6.306 1.00 15.00 H new ATOM 0 HD13 LEU A 313 8.414 0.631 7.723 1.00 15.00 H new ATOM 0 HD21 LEU A 313 10.448 2.298 6.120 1.00 15.00 H new ATOM 0 HD22 LEU A 313 10.898 1.170 7.420 1.00 15.00 H new ATOM 0 HD23 LEU A 313 11.619 0.996 5.803 1.00 15.00 H new ATOM 546 N HIS A 314 11.202 -4.006 5.024 1.00 15.00 N ATOM 547 CA HIS A 314 11.310 -5.435 5.300 1.00 15.00 C ATOM 548 C HIS A 314 12.579 -6.009 4.686 1.00 15.00 C ATOM 549 O HIS A 314 13.607 -6.079 5.390 1.00 15.00 O ATOM 550 CB HIS A 314 10.094 -6.190 4.755 1.00 15.00 C ATOM 551 CG HIS A 314 8.807 -5.897 5.464 1.00 15.00 C ATOM 552 ND1 HIS A 314 7.714 -6.732 5.397 1.00 15.00 N ATOM 553 CD2 HIS A 314 8.434 -4.858 6.246 1.00 15.00 C ATOM 554 CE1 HIS A 314 6.726 -6.218 6.106 1.00 15.00 C ATOM 555 NE2 HIS A 314 7.136 -5.079 6.633 1.00 15.00 N ATOM 556 OXT HIS A 314 12.545 -6.393 3.499 1.00 15.00 O ATOM 0 H HIS A 314 10.953 -3.779 4.061 1.00 15.00 H new ATOM 0 HA HIS A 314 11.349 -5.559 6.382 1.00 15.00 H new ATOM 0 HB2 HIS A 314 9.975 -5.946 3.699 1.00 15.00 H new ATOM 0 HB3 HIS A 314 10.291 -7.260 4.815 1.00 15.00 H new ATOM 0 HD2 HIS A 314 9.046 -4.010 6.516 1.00 15.00 H new ATOM 0 HE1 HIS A 314 5.747 -6.656 6.233 1.00 15.00 H new ATOM 0 HE2 HIS A 314 6.580 -4.465 7.229 1.00 15.00 H new TER 565 HIS A 314 ATOM 566 N GLU B 203 0.261 -13.089 4.677 1.00 15.00 N ATOM 567 CA GLU B 203 0.814 -11.851 5.271 1.00 15.00 C ATOM 568 C GLU B 203 0.749 -11.917 6.801 1.00 15.00 C ATOM 569 O GLU B 203 1.365 -11.105 7.492 1.00 15.00 O ATOM 570 CB GLU B 203 0.018 -10.638 4.771 1.00 15.00 C ATOM 571 CG GLU B 203 0.781 -9.324 4.831 1.00 15.00 C ATOM 572 CD GLU B 203 1.805 -9.199 3.722 1.00 15.00 C ATOM 573 OE1 GLU B 203 2.863 -9.853 3.808 1.00 15.00 O ATOM 574 OE2 GLU B 203 1.549 -8.454 2.751 1.00 15.00 O1- ATOM 0 HA GLU B 203 1.857 -11.752 4.969 1.00 15.00 H new ATOM 0 HB2 GLU B 203 -0.291 -10.819 3.741 1.00 15.00 H new ATOM 0 HB3 GLU B 203 -0.891 -10.545 5.365 1.00 15.00 H new ATOM 0 HG2 GLU B 203 0.076 -8.495 4.766 1.00 15.00 H new ATOM 0 HG3 GLU B 203 1.282 -9.242 5.795 1.00 15.00 H new ATOM 583 N LEU B 204 -0.021 -12.891 7.314 1.00 15.00 N ATOM 584 CA LEU B 204 -0.266 -13.054 8.757 1.00 15.00 C ATOM 585 C LEU B 204 -1.053 -11.870 9.322 1.00 15.00 C ATOM 586 O LEU B 204 -1.226 -11.745 10.535 1.00 15.00 O ATOM 587 CB LEU B 204 1.043 -13.230 9.543 1.00 15.00 C ATOM 588 CG LEU B 204 1.692 -14.618 9.472 1.00 15.00 C ATOM 589 CD1 LEU B 204 2.294 -14.877 8.100 1.00 15.00 C ATOM 590 CD2 LEU B 204 2.750 -14.759 10.556 1.00 15.00 C ATOM 0 H LEU B 204 -0.492 -13.589 6.739 1.00 15.00 H new ATOM 0 HA LEU B 204 -0.859 -13.961 8.874 1.00 15.00 H new ATOM 0 HB2 LEU B 204 1.762 -12.496 9.180 1.00 15.00 H new ATOM 0 HB3 LEU B 204 0.849 -12.995 10.590 1.00 15.00 H new ATOM 0 HG LEU B 204 0.915 -15.364 9.639 1.00 15.00 H new ATOM 0 HD11 LEU B 204 2.746 -15.869 8.082 1.00 15.00 H new ATOM 0 HD12 LEU B 204 1.512 -14.821 7.343 1.00 15.00 H new ATOM 0 HD13 LEU B 204 3.056 -14.127 7.890 1.00 15.00 H new ATOM 0 HD21 LEU B 204 3.203 -15.748 10.495 1.00 15.00 H new ATOM 0 HD22 LEU B 204 3.518 -13.999 10.416 1.00 15.00 H new ATOM 0 HD23 LEU B 204 2.287 -14.631 11.535 1.00 15.00 H new ATOM 602 N GLU B 205 -1.544 -11.023 8.432 1.00 15.00 N ATOM 603 CA GLU B 205 -2.323 -9.859 8.818 1.00 15.00 C ATOM 604 C GLU B 205 -3.788 -10.022 8.444 1.00 15.00 C ATOM 605 O GLU B 205 -4.151 -10.919 7.681 1.00 15.00 O ATOM 606 CB GLU B 205 -1.757 -8.607 8.149 1.00 15.00 C ATOM 607 CG GLU B 205 -0.521 -8.057 8.836 1.00 15.00 C ATOM 608 CD GLU B 205 -0.793 -7.700 10.280 1.00 15.00 C ATOM 609 OE1 GLU B 205 -1.761 -6.952 10.542 1.00 15.00 O ATOM 610 OE2 GLU B 205 -0.053 -8.172 11.162 1.00 15.00 O1- ATOM 0 H GLU B 205 -1.414 -11.123 7.425 1.00 15.00 H new ATOM 0 HA GLU B 205 -2.258 -9.757 9.901 1.00 15.00 H new ATOM 0 HB2 GLU B 205 -1.514 -8.838 7.112 1.00 15.00 H new ATOM 0 HB3 GLU B 205 -2.526 -7.835 8.132 1.00 15.00 H new ATOM 0 HG2 GLU B 205 0.280 -8.795 8.789 1.00 15.00 H new ATOM 0 HG3 GLU B 205 -0.172 -7.173 8.303 1.00 15.00 H new ATOM 617 N SER B 206 -4.617 -9.145 8.992 1.00 15.00 N ATOM 618 CA SER B 206 -6.002 -9.021 8.574 1.00 15.00 C ATOM 619 C SER B 206 -6.056 -8.613 7.103 1.00 15.00 C ATOM 620 O SER B 206 -5.105 -8.009 6.602 1.00 15.00 O ATOM 621 CB SER B 206 -6.688 -7.954 9.424 1.00 15.00 C ATOM 622 OG SER B 206 -6.317 -8.071 10.787 1.00 15.00 O ATOM 0 H SER B 206 -4.347 -8.502 9.737 1.00 15.00 H new ATOM 0 HA SER B 206 -6.511 -9.976 8.703 1.00 15.00 H new ATOM 0 HB2 SER B 206 -6.421 -6.964 9.055 1.00 15.00 H new ATOM 0 HB3 SER B 206 -7.770 -8.049 9.329 1.00 15.00 H new ATOM 0 HG SER B 206 -6.768 -7.376 11.310 1.00 15.00 H new ATOM 628 N PRO B 207 -7.157 -8.927 6.394 1.00 15.00 N ATOM 629 CA PRO B 207 -7.323 -8.535 4.991 1.00 15.00 C ATOM 630 C PRO B 207 -7.043 -7.047 4.764 1.00 15.00 C ATOM 631 O PRO B 207 -7.694 -6.182 5.357 1.00 15.00 O ATOM 632 CB PRO B 207 -8.794 -8.854 4.713 1.00 15.00 C ATOM 633 CG PRO B 207 -9.114 -9.965 5.647 1.00 15.00 C ATOM 634 CD PRO B 207 -8.309 -9.700 6.892 1.00 15.00 C ATOM 0 HA PRO B 207 -6.626 -9.055 4.334 1.00 15.00 H new ATOM 0 HB2 PRO B 207 -9.430 -7.987 4.894 1.00 15.00 H new ATOM 0 HB3 PRO B 207 -8.947 -9.151 3.675 1.00 15.00 H new ATOM 0 HG2 PRO B 207 -10.181 -9.993 5.870 1.00 15.00 H new ATOM 0 HG3 PRO B 207 -8.854 -10.929 5.211 1.00 15.00 H new ATOM 0 HD2 PRO B 207 -8.882 -9.138 7.629 1.00 15.00 H new ATOM 0 HD3 PRO B 207 -7.994 -10.627 7.372 1.00 15.00 H new ATOM 642 N PRO B 208 -6.050 -6.738 3.913 1.00 15.00 N ATOM 643 CA PRO B 208 -5.663 -5.357 3.595 1.00 15.00 C ATOM 644 C PRO B 208 -6.795 -4.557 2.939 1.00 15.00 C ATOM 645 O PRO B 208 -7.739 -5.129 2.388 1.00 15.00 O ATOM 646 CB PRO B 208 -4.481 -5.524 2.627 1.00 15.00 C ATOM 647 CG PRO B 208 -4.578 -6.921 2.120 1.00 15.00 C ATOM 648 CD PRO B 208 -5.195 -7.719 3.229 1.00 15.00 C ATOM 0 HA PRO B 208 -5.414 -4.793 4.494 1.00 15.00 H new ATOM 0 HB2 PRO B 208 -4.538 -4.805 1.810 1.00 15.00 H new ATOM 0 HB3 PRO B 208 -3.531 -5.355 3.134 1.00 15.00 H new ATOM 0 HG2 PRO B 208 -5.189 -6.968 1.219 1.00 15.00 H new ATOM 0 HG3 PRO B 208 -3.594 -7.311 1.859 1.00 15.00 H new ATOM 0 HD2 PRO B 208 -5.773 -8.560 2.846 1.00 15.00 H new ATOM 0 HD3 PRO B 208 -4.439 -8.130 3.898 1.00 15.00 H new ATOM 656 N PRO B 209 -6.679 -3.217 2.963 1.00 15.00 N ATOM 657 CA PRO B 209 -7.716 -2.299 2.470 1.00 15.00 C ATOM 658 C PRO B 209 -7.933 -2.426 0.964 1.00 15.00 C ATOM 659 O PRO B 209 -6.976 -2.385 0.191 1.00 15.00 O ATOM 660 CB PRO B 209 -7.151 -0.905 2.806 1.00 15.00 C ATOM 661 CG PRO B 209 -6.073 -1.148 3.792 1.00 15.00 C ATOM 662 CD PRO B 209 -5.504 -2.483 3.445 1.00 15.00 C ATOM 0 HA PRO B 209 -8.686 -2.504 2.922 1.00 15.00 H new ATOM 0 HB2 PRO B 209 -6.765 -0.412 1.914 1.00 15.00 H new ATOM 0 HB3 PRO B 209 -7.923 -0.257 3.219 1.00 15.00 H new ATOM 0 HG2 PRO B 209 -5.310 -0.371 3.738 1.00 15.00 H new ATOM 0 HG3 PRO B 209 -6.464 -1.141 4.810 1.00 15.00 H new ATOM 0 HD2 PRO B 209 -4.731 -2.408 2.680 1.00 15.00 H new ATOM 0 HD3 PRO B 209 -5.050 -2.967 4.310 1.00 15.00 H new ATOM 670 N PRO B 210 -9.194 -2.585 0.533 1.00 15.00 N ATOM 671 CA PRO B 210 -9.543 -2.644 -0.890 1.00 15.00 C ATOM 672 C PRO B 210 -8.994 -1.442 -1.648 1.00 15.00 C ATOM 673 O PRO B 210 -9.151 -0.301 -1.203 1.00 15.00 O ATOM 674 CB PRO B 210 -11.074 -2.619 -0.883 1.00 15.00 C ATOM 675 CG PRO B 210 -11.458 -3.153 0.453 1.00 15.00 C ATOM 676 CD PRO B 210 -10.379 -2.715 1.401 1.00 15.00 C ATOM 0 HA PRO B 210 -9.127 -3.521 -1.385 1.00 15.00 H new ATOM 0 HB2 PRO B 210 -11.454 -1.608 -1.029 1.00 15.00 H new ATOM 0 HB3 PRO B 210 -11.483 -3.232 -1.686 1.00 15.00 H new ATOM 0 HG2 PRO B 210 -12.429 -2.767 0.763 1.00 15.00 H new ATOM 0 HG3 PRO B 210 -11.539 -4.240 0.430 1.00 15.00 H new ATOM 0 HD2 PRO B 210 -10.628 -1.771 1.885 1.00 15.00 H new ATOM 0 HD3 PRO B 210 -10.219 -3.446 2.193 1.00 15.00 H new ATOM 684 N TYR B 211 -8.354 -1.692 -2.788 1.00 15.00 N ATOM 685 CA TYR B 211 -7.723 -0.625 -3.553 1.00 15.00 C ATOM 686 C TYR B 211 -8.745 0.424 -3.982 1.00 15.00 C ATOM 687 O TYR B 211 -9.564 0.201 -4.878 1.00 15.00 O ATOM 688 CB TYR B 211 -6.967 -1.175 -4.777 1.00 15.00 C ATOM 689 CG TYR B 211 -6.498 -0.097 -5.744 1.00 15.00 C ATOM 690 CD1 TYR B 211 -5.880 1.064 -5.288 1.00 15.00 C ATOM 691 CD2 TYR B 211 -6.695 -0.232 -7.113 1.00 15.00 C ATOM 692 CE1 TYR B 211 -5.480 2.055 -6.168 1.00 15.00 C ATOM 693 CE2 TYR B 211 -6.288 0.756 -7.993 1.00 15.00 C ATOM 694 CZ TYR B 211 -5.690 1.891 -7.517 1.00 15.00 C ATOM 695 OH TYR B 211 -5.314 2.869 -8.406 1.00 15.00 O ATOM 0 H TYR B 211 -8.260 -2.621 -3.199 1.00 15.00 H new ATOM 0 HA TYR B 211 -6.995 -0.147 -2.898 1.00 15.00 H new ATOM 0 HB2 TYR B 211 -6.102 -1.743 -4.433 1.00 15.00 H new ATOM 0 HB3 TYR B 211 -7.615 -1.871 -5.310 1.00 15.00 H new ATOM 0 HD1 TYR B 211 -5.710 1.194 -4.229 1.00 15.00 H new ATOM 0 HD2 TYR B 211 -7.173 -1.121 -7.496 1.00 15.00 H new ATOM 0 HE1 TYR B 211 -5.006 2.952 -5.797 1.00 15.00 H new ATOM 0 HE2 TYR B 211 -6.442 0.631 -9.055 1.00 15.00 H new ATOM 0 HH TYR B 211 -4.469 3.270 -8.114 1.00 15.00 H new ATOM 705 N SER B 212 -8.711 1.541 -3.279 1.00 15.00 N ATOM 706 CA SER B 212 -9.449 2.727 -3.652 1.00 15.00 C ATOM 707 C SER B 212 -8.510 3.606 -4.460 1.00 15.00 C ATOM 708 O SER B 212 -7.307 3.588 -4.213 1.00 15.00 O ATOM 709 CB SER B 212 -9.935 3.440 -2.392 1.00 15.00 C ATOM 710 OG SER B 212 -10.611 2.528 -1.536 1.00 15.00 O ATOM 0 H SER B 212 -8.164 1.648 -2.425 1.00 15.00 H new ATOM 0 HA SER B 212 -10.327 2.483 -4.249 1.00 15.00 H new ATOM 0 HB2 SER B 212 -9.088 3.882 -1.867 1.00 15.00 H new ATOM 0 HB3 SER B 212 -10.603 4.257 -2.664 1.00 15.00 H new ATOM 0 HG SER B 212 -10.915 2.998 -0.732 1.00 15.00 H new ATOM 716 N ARG B 213 -9.040 4.392 -5.386 1.00 15.00 N ATOM 717 CA ARG B 213 -8.196 5.075 -6.364 1.00 15.00 C ATOM 718 C ARG B 213 -7.192 5.994 -5.682 1.00 15.00 C ATOM 719 O ARG B 213 -5.983 5.794 -5.815 1.00 15.00 O ATOM 720 CB ARG B 213 -9.051 5.867 -7.354 1.00 15.00 C ATOM 721 CG ARG B 213 -9.801 4.991 -8.340 1.00 15.00 C ATOM 722 CD ARG B 213 -8.843 4.241 -9.252 1.00 15.00 C ATOM 723 NE ARG B 213 -9.540 3.298 -10.129 1.00 15.00 N ATOM 724 CZ ARG B 213 -9.025 2.780 -11.241 1.00 15.00 C ATOM 725 NH1 ARG B 213 -7.825 3.153 -11.668 1.00 15.00 N1+ ATOM 726 NH2 ARG B 213 -9.725 1.898 -11.940 1.00 15.00 N ATOM 0 H ARG B 213 -10.039 4.573 -5.483 1.00 15.00 H new ATOM 0 HA ARG B 213 -7.640 4.313 -6.911 1.00 15.00 H new ATOM 0 HB2 ARG B 213 -9.768 6.473 -6.800 1.00 15.00 H new ATOM 0 HB3 ARG B 213 -8.411 6.556 -7.905 1.00 15.00 H new ATOM 0 HG2 ARG B 213 -10.423 4.279 -7.797 1.00 15.00 H new ATOM 0 HG3 ARG B 213 -10.471 5.607 -8.940 1.00 15.00 H new ATOM 0 HD2 ARG B 213 -8.287 4.956 -9.858 1.00 15.00 H new ATOM 0 HD3 ARG B 213 -8.115 3.702 -8.647 1.00 15.00 H new ATOM 0 HE ARG B 213 -10.486 3.019 -9.869 1.00 15.00 H new ATOM 0 HH11 ARG B 213 -7.288 3.843 -11.142 1.00 15.00 H new ATOM 0 HH12 ARG B 213 -7.439 2.750 -12.522 1.00 15.00 H new ATOM 0 HH21 ARG B 213 -10.654 1.619 -11.625 1.00 15.00 H new ATOM 0 HH22 ARG B 213 -9.335 1.498 -12.793 1.00 15.00 H new ATOM 740 N TYR B 214 -7.670 6.998 -4.966 1.00 15.00 N ATOM 741 CA TYR B 214 -6.776 7.839 -4.188 1.00 15.00 C ATOM 742 C TYR B 214 -7.136 7.773 -2.708 1.00 15.00 C ATOM 743 O TYR B 214 -8.076 8.422 -2.249 1.00 15.00 O ATOM 744 CB TYR B 214 -6.771 9.283 -4.714 1.00 15.00 C ATOM 745 CG TYR B 214 -5.946 9.445 -5.978 1.00 15.00 C ATOM 746 CD1 TYR B 214 -6.157 8.621 -7.075 1.00 15.00 C ATOM 747 CD2 TYR B 214 -4.941 10.401 -6.064 1.00 15.00 C ATOM 748 CE1 TYR B 214 -5.398 8.735 -8.218 1.00 15.00 C ATOM 749 CE2 TYR B 214 -4.178 10.531 -7.210 1.00 15.00 C ATOM 750 CZ TYR B 214 -4.408 9.693 -8.284 1.00 15.00 C ATOM 751 OH TYR B 214 -3.640 9.810 -9.421 1.00 15.00 O ATOM 0 H TYR B 214 -8.657 7.248 -4.907 1.00 15.00 H new ATOM 0 HA TYR B 214 -5.761 7.459 -4.300 1.00 15.00 H new ATOM 0 HB2 TYR B 214 -7.796 9.596 -4.912 1.00 15.00 H new ATOM 0 HB3 TYR B 214 -6.379 9.945 -3.942 1.00 15.00 H new ATOM 0 HD1 TYR B 214 -6.935 7.873 -7.031 1.00 15.00 H new ATOM 0 HD2 TYR B 214 -4.753 11.052 -5.223 1.00 15.00 H new ATOM 0 HE1 TYR B 214 -5.577 8.079 -9.057 1.00 15.00 H new ATOM 0 HE2 TYR B 214 -3.406 11.284 -7.265 1.00 15.00 H new ATOM 0 HH TYR B 214 -2.990 10.534 -9.303 1.00 15.00 H new ATOM 761 N PRO B 215 -6.410 6.928 -1.960 1.00 15.00 N ATOM 762 CA PRO B 215 -6.648 6.707 -0.534 1.00 15.00 C ATOM 763 C PRO B 215 -6.024 7.793 0.334 1.00 15.00 C ATOM 764 O PRO B 215 -4.839 8.100 0.208 1.00 15.00 O ATOM 765 CB PRO B 215 -5.961 5.363 -0.283 1.00 15.00 C ATOM 766 CG PRO B 215 -4.831 5.333 -1.254 1.00 15.00 C ATOM 767 CD PRO B 215 -5.285 6.111 -2.461 1.00 15.00 C ATOM 0 HA PRO B 215 -7.709 6.722 -0.283 1.00 15.00 H new ATOM 0 HB2 PRO B 215 -5.604 5.286 0.744 1.00 15.00 H new ATOM 0 HB3 PRO B 215 -6.646 4.531 -0.446 1.00 15.00 H new ATOM 0 HG2 PRO B 215 -3.935 5.777 -0.821 1.00 15.00 H new ATOM 0 HG3 PRO B 215 -4.579 4.308 -1.525 1.00 15.00 H new ATOM 0 HD2 PRO B 215 -4.484 6.735 -2.857 1.00 15.00 H new ATOM 0 HD3 PRO B 215 -5.601 5.448 -3.267 1.00 15.00 H new ATOM 775 N MET B 216 -6.826 8.385 1.203 1.00 15.00 N ATOM 776 CA MET B 216 -6.337 9.407 2.113 1.00 15.00 C ATOM 777 C MET B 216 -6.751 9.080 3.537 1.00 15.00 C ATOM 778 O MET B 216 -7.938 8.929 3.831 1.00 15.00 O ATOM 779 CB MET B 216 -6.862 10.786 1.705 1.00 15.00 C ATOM 780 CG MET B 216 -6.421 11.208 0.314 1.00 15.00 C ATOM 781 SD MET B 216 -7.064 12.821 -0.166 1.00 15.00 S ATOM 782 CE MET B 216 -6.428 12.950 -1.835 1.00 15.00 C ATOM 0 H MET B 216 -7.820 8.175 1.298 1.00 15.00 H new ATOM 0 HA MET B 216 -5.248 9.427 2.062 1.00 15.00 H new ATOM 0 HB2 MET B 216 -7.951 10.780 1.747 1.00 15.00 H new ATOM 0 HB3 MET B 216 -6.519 11.526 2.428 1.00 15.00 H new ATOM 0 HG2 MET B 216 -5.332 11.230 0.275 1.00 15.00 H new ATOM 0 HG3 MET B 216 -6.751 10.461 -0.408 1.00 15.00 H new ATOM 0 HE1 MET B 216 -6.741 13.898 -2.271 1.00 15.00 H new ATOM 0 HE2 MET B 216 -5.339 12.902 -1.814 1.00 15.00 H new ATOM 0 HE3 MET B 216 -6.816 12.128 -2.437 1.00 15.00 H new ATOM 792 N ASP B 217 -5.772 8.954 4.413 1.00 15.00 N ATOM 793 CA ASP B 217 -6.030 8.626 5.805 1.00 15.00 C ATOM 794 C ASP B 217 -5.596 9.782 6.683 1.00 15.00 C ATOM 795 O ASP B 217 -6.462 10.594 7.070 1.00 15.00 O ATOM 796 CB ASP B 217 -5.288 7.350 6.220 1.00 15.00 C ATOM 797 CG ASP B 217 -5.647 6.153 5.364 1.00 15.00 C ATOM 798 OD1 ASP B 217 -6.744 5.581 5.559 1.00 15.00 O ATOM 799 OD2 ASP B 217 -4.834 5.774 4.493 1.00 15.00 O1- ATOM 800 OXT ASP B 217 -4.383 9.902 6.947 1.00 15.00 O ATOM 0 H ASP B 217 -4.785 9.074 4.185 1.00 15.00 H new ATOM 0 HA ASP B 217 -7.099 8.450 5.926 1.00 15.00 H new ATOM 0 HB2 ASP B 217 -4.214 7.525 6.159 1.00 15.00 H new ATOM 0 HB3 ASP B 217 -5.516 7.126 7.262 1.00 15.00 H new TER 805 ASP B 217