USER MOD reduce.3.24.130724 H: found=0, std=0, add=418, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 417 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 : C 330 THR OG1 : rot -116:sc= 0.0189 USER MOD Single : C 337 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : C 338 ASN : amide:sc= -3.21! C(o=-3.2!,f=-7.1!) USER MOD Single : C 347 SER OG : rot -104:sc= 0.195 USER MOD Single : C 348 MET CE :methyl 152:sc= -0.235 (180deg=-1.35) USER MOD Single : C 349 GLN : amide:sc= -3.81! K(o=-3.8!,f=-0.52) USER MOD Single : C 353 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 358 HIS : no HD1:sc= -2.19 K(o=-2.2,f=-3.4!) USER MOD Single : C 361 HIS : no HD1:sc= -2.21 K(o=-2.2,f=-1.1) USER MOD Single : C 362 ASN : amide:sc= -0.103 K(o=-0.1,f=-2.4) USER MOD Single : C 363 SER OG : rot 180:sc= 0 USER MOD Single : C 367 SER OG : rot 180:sc= 0 USER MOD Single : C 371 GLN : amide:sc= -4.11! C(o=-4.1!,f=-4.5!) USER MOD Single : C 373 THR OG1 : rot 65:sc= 0.0432 USER MOD Single : C 374 SER OG : rot 180:sc= 0 USER MOD Single : C 377 THR OG1 : rot 180:sc= 0 USER MOD Single : C 380 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : C 381 SER OG : rot 180:sc= 0 USER MOD Single : C 383 ASN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA C 327 15.801 0.781 -17.042 1.00 0.00 N ATOM 2 CA ALA C 327 16.910 -0.056 -17.583 1.00 0.00 C ATOM 3 C ALA C 327 17.189 -1.200 -16.613 1.00 0.00 C ATOM 4 O ALA C 327 17.934 -1.035 -15.651 1.00 0.00 O ATOM 5 CB ALA C 327 18.166 0.807 -17.744 1.00 0.00 C ATOM 0 HA ALA C 327 16.629 -0.463 -18.554 1.00 0.00 H new ATOM 0 HB1 ALA C 327 18.978 0.197 -18.139 1.00 0.00 H new ATOM 0 HB2 ALA C 327 17.959 1.626 -18.433 1.00 0.00 H new ATOM 0 HB3 ALA C 327 18.456 1.212 -16.775 1.00 0.00 H new ATOM 11 N VAL C 328 16.592 -2.361 -16.875 1.00 0.00 N ATOM 12 CA VAL C 328 16.786 -3.527 -16.015 1.00 0.00 C ATOM 13 C VAL C 328 17.731 -4.515 -16.684 1.00 0.00 C ATOM 14 O VAL C 328 17.412 -5.084 -17.729 1.00 0.00 O ATOM 15 CB VAL C 328 15.442 -4.207 -15.760 1.00 0.00 C ATOM 16 CG1 VAL C 328 15.637 -5.374 -14.793 1.00 0.00 C ATOM 17 CG2 VAL C 328 14.461 -3.197 -15.157 1.00 0.00 C ATOM 0 H VAL C 328 15.974 -2.519 -17.671 1.00 0.00 H new ATOM 0 HA VAL C 328 17.217 -3.201 -15.068 1.00 0.00 H new ATOM 0 HB VAL C 328 15.040 -4.580 -16.702 1.00 0.00 H new ATOM 0 HG11 VAL C 328 14.678 -5.860 -14.611 1.00 0.00 H new ATOM 0 HG12 VAL C 328 16.332 -6.094 -15.226 1.00 0.00 H new ATOM 0 HG13 VAL C 328 16.040 -5.002 -13.851 1.00 0.00 H new ATOM 0 HG21 VAL C 328 13.503 -3.684 -14.976 1.00 0.00 H new ATOM 0 HG22 VAL C 328 14.860 -2.820 -14.215 1.00 0.00 H new ATOM 0 HG23 VAL C 328 14.321 -2.367 -15.850 1.00 0.00 H new ATOM 27 N ALA C 329 18.897 -4.712 -16.076 1.00 0.00 N ATOM 28 CA ALA C 329 19.895 -5.632 -16.616 1.00 0.00 C ATOM 29 C ALA C 329 19.716 -7.017 -16.019 1.00 0.00 C ATOM 30 O ALA C 329 20.265 -7.997 -16.522 1.00 0.00 O ATOM 31 CB ALA C 329 21.300 -5.122 -16.292 1.00 0.00 C ATOM 0 H ALA C 329 19.175 -4.248 -15.211 1.00 0.00 H new ATOM 0 HA ALA C 329 19.765 -5.689 -17.697 1.00 0.00 H new ATOM 0 HB1 ALA C 329 22.040 -5.812 -16.697 1.00 0.00 H new ATOM 0 HB2 ALA C 329 21.441 -4.137 -16.737 1.00 0.00 H new ATOM 0 HB3 ALA C 329 21.422 -5.053 -15.211 1.00 0.00 H new ATOM 37 N THR C 330 18.955 -7.093 -14.933 1.00 0.00 N ATOM 38 CA THR C 330 18.725 -8.372 -14.264 1.00 0.00 C ATOM 39 C THR C 330 17.648 -9.176 -14.999 1.00 0.00 C ATOM 40 O THR C 330 16.738 -8.598 -15.597 1.00 0.00 O ATOM 41 CB THR C 330 18.284 -8.134 -12.808 1.00 0.00 C ATOM 42 OG1 THR C 330 16.864 -8.125 -12.731 1.00 0.00 O ATOM 43 CG2 THR C 330 18.829 -6.796 -12.314 1.00 0.00 C ATOM 0 H THR C 330 18.491 -6.295 -14.499 1.00 0.00 H new ATOM 0 HA THR C 330 19.657 -8.937 -14.273 1.00 0.00 H new ATOM 0 HB THR C 330 18.675 -8.936 -12.182 1.00 0.00 H new ATOM 0 HG1 THR C 330 16.557 -7.237 -12.454 1.00 0.00 H new ATOM 0 HG21 THR C 330 18.514 -6.633 -11.283 1.00 0.00 H new ATOM 0 HG22 THR C 330 19.918 -6.806 -12.363 1.00 0.00 H new ATOM 0 HG23 THR C 330 18.445 -5.992 -12.942 1.00 0.00 H new ATOM 51 N PRO C 331 17.724 -10.485 -14.958 1.00 0.00 N ATOM 52 CA PRO C 331 16.718 -11.374 -15.626 1.00 0.00 C ATOM 53 C PRO C 331 15.336 -11.270 -14.978 1.00 0.00 C ATOM 54 O PRO C 331 15.214 -10.959 -13.793 1.00 0.00 O ATOM 55 CB PRO C 331 17.304 -12.786 -15.448 1.00 0.00 C ATOM 56 CG PRO C 331 18.198 -12.684 -14.254 1.00 0.00 C ATOM 57 CD PRO C 331 18.773 -11.270 -14.280 1.00 0.00 C ATOM 0 HA PRO C 331 16.561 -11.102 -16.670 1.00 0.00 H new ATOM 0 HB2 PRO C 331 16.517 -13.523 -15.290 1.00 0.00 H new ATOM 0 HB3 PRO C 331 17.860 -13.097 -16.332 1.00 0.00 H new ATOM 0 HG2 PRO C 331 17.642 -12.862 -13.334 1.00 0.00 H new ATOM 0 HG3 PRO C 331 18.992 -13.429 -14.296 1.00 0.00 H new ATOM 0 HD2 PRO C 331 18.967 -10.897 -13.274 1.00 0.00 H new ATOM 0 HD3 PRO C 331 19.718 -11.231 -14.822 1.00 0.00 H new ATOM 65 N GLU C 332 14.304 -11.546 -15.764 1.00 0.00 N ATOM 66 CA GLU C 332 12.937 -11.501 -15.262 1.00 0.00 C ATOM 67 C GLU C 332 12.716 -12.593 -14.213 1.00 0.00 C ATOM 68 O GLU C 332 11.762 -12.536 -13.434 1.00 0.00 O ATOM 69 CB GLU C 332 11.952 -11.689 -16.419 1.00 0.00 C ATOM 70 CG GLU C 332 12.273 -12.989 -17.159 1.00 0.00 C ATOM 71 CD GLU C 332 11.332 -13.156 -18.346 1.00 0.00 C ATOM 72 OE1 GLU C 332 10.398 -12.378 -18.454 1.00 0.00 O ATOM 73 OE2 GLU C 332 11.555 -14.064 -19.131 1.00 0.00 O ATOM 0 H GLU C 332 14.386 -11.802 -16.748 1.00 0.00 H new ATOM 0 HA GLU C 332 12.768 -10.529 -14.797 1.00 0.00 H new ATOM 0 HB2 GLU C 332 10.931 -11.717 -16.040 1.00 0.00 H new ATOM 0 HB3 GLU C 332 12.014 -10.844 -17.104 1.00 0.00 H new ATOM 0 HG2 GLU C 332 13.307 -12.976 -17.503 1.00 0.00 H new ATOM 0 HG3 GLU C 332 12.173 -13.837 -16.482 1.00 0.00 H new ATOM 80 N GLU C 333 13.603 -13.585 -14.197 1.00 0.00 N ATOM 81 CA GLU C 333 13.496 -14.684 -13.247 1.00 0.00 C ATOM 82 C GLU C 333 13.545 -14.153 -11.821 1.00 0.00 C ATOM 83 O GLU C 333 12.821 -14.627 -10.945 1.00 0.00 O ATOM 84 CB GLU C 333 14.646 -15.672 -13.492 1.00 0.00 C ATOM 85 CG GLU C 333 15.957 -15.032 -13.058 1.00 0.00 C ATOM 86 CD GLU C 333 17.142 -15.667 -13.794 1.00 0.00 C ATOM 87 OE1 GLU C 333 17.013 -15.929 -14.978 1.00 0.00 O ATOM 88 OE2 GLU C 333 18.162 -15.884 -13.156 1.00 0.00 O ATOM 0 H GLU C 333 14.401 -13.649 -14.830 1.00 0.00 H new ATOM 0 HA GLU C 333 12.544 -15.196 -13.386 1.00 0.00 H new ATOM 0 HB2 GLU C 333 14.475 -16.593 -12.935 1.00 0.00 H new ATOM 0 HB3 GLU C 333 14.691 -15.942 -14.547 1.00 0.00 H new ATOM 0 HG2 GLU C 333 15.929 -13.961 -13.260 1.00 0.00 H new ATOM 0 HG3 GLU C 333 16.086 -15.150 -11.982 1.00 0.00 H new ATOM 95 N LEU C 334 14.398 -13.163 -11.596 1.00 0.00 N ATOM 96 CA LEU C 334 14.527 -12.576 -10.272 1.00 0.00 C ATOM 97 C LEU C 334 13.219 -11.924 -9.847 1.00 0.00 C ATOM 98 O LEU C 334 12.792 -12.063 -8.701 1.00 0.00 O ATOM 99 CB LEU C 334 15.653 -11.532 -10.261 1.00 0.00 C ATOM 100 CG LEU C 334 15.725 -10.841 -8.887 1.00 0.00 C ATOM 101 CD1 LEU C 334 15.906 -11.891 -7.777 1.00 0.00 C ATOM 102 CD2 LEU C 334 16.908 -9.865 -8.875 1.00 0.00 C ATOM 0 H LEU C 334 15.005 -12.754 -12.306 1.00 0.00 H new ATOM 0 HA LEU C 334 14.770 -13.371 -9.567 1.00 0.00 H new ATOM 0 HB2 LEU C 334 16.606 -12.012 -10.485 1.00 0.00 H new ATOM 0 HB3 LEU C 334 15.479 -10.790 -11.040 1.00 0.00 H new ATOM 0 HG LEU C 334 14.798 -10.296 -8.707 1.00 0.00 H new ATOM 0 HD11 LEU C 334 15.956 -11.392 -6.809 1.00 0.00 H new ATOM 0 HD12 LEU C 334 15.062 -12.580 -7.787 1.00 0.00 H new ATOM 0 HD13 LEU C 334 16.829 -12.445 -7.947 1.00 0.00 H new ATOM 0 HD21 LEU C 334 16.964 -9.373 -7.904 1.00 0.00 H new ATOM 0 HD22 LEU C 334 17.833 -10.412 -9.058 1.00 0.00 H new ATOM 0 HD23 LEU C 334 16.769 -9.116 -9.654 1.00 0.00 H new ATOM 114 N ALA C 335 12.595 -11.212 -10.772 1.00 0.00 N ATOM 115 CA ALA C 335 11.344 -10.537 -10.474 1.00 0.00 C ATOM 116 C ALA C 335 10.276 -11.545 -10.068 1.00 0.00 C ATOM 117 O ALA C 335 9.582 -11.359 -9.066 1.00 0.00 O ATOM 118 CB ALA C 335 10.875 -9.748 -11.701 1.00 0.00 C ATOM 0 H ALA C 335 12.931 -11.088 -11.727 1.00 0.00 H new ATOM 0 HA ALA C 335 11.508 -9.850 -9.643 1.00 0.00 H new ATOM 0 HB1 ALA C 335 9.936 -9.244 -11.472 1.00 0.00 H new ATOM 0 HB2 ALA C 335 11.629 -9.008 -11.968 1.00 0.00 H new ATOM 0 HB3 ALA C 335 10.725 -10.431 -12.537 1.00 0.00 H new ATOM 124 N VAL C 336 10.154 -12.612 -10.847 1.00 0.00 N ATOM 125 CA VAL C 336 9.161 -13.639 -10.563 1.00 0.00 C ATOM 126 C VAL C 336 9.402 -14.245 -9.186 1.00 0.00 C ATOM 127 O VAL C 336 8.469 -14.419 -8.401 1.00 0.00 O ATOM 128 CB VAL C 336 9.226 -14.735 -11.628 1.00 0.00 C ATOM 129 CG1 VAL C 336 8.262 -15.865 -11.265 1.00 0.00 C ATOM 130 CG2 VAL C 336 8.836 -14.151 -12.989 1.00 0.00 C ATOM 0 H VAL C 336 10.725 -12.788 -11.674 1.00 0.00 H new ATOM 0 HA VAL C 336 8.172 -13.181 -10.577 1.00 0.00 H new ATOM 0 HB VAL C 336 10.242 -15.128 -11.677 1.00 0.00 H new ATOM 0 HG11 VAL C 336 8.311 -16.644 -12.026 1.00 0.00 H new ATOM 0 HG12 VAL C 336 8.540 -16.284 -10.298 1.00 0.00 H new ATOM 0 HG13 VAL C 336 7.246 -15.474 -11.212 1.00 0.00 H new ATOM 0 HG21 VAL C 336 8.883 -14.933 -13.747 1.00 0.00 H new ATOM 0 HG22 VAL C 336 7.822 -13.755 -12.938 1.00 0.00 H new ATOM 0 HG23 VAL C 336 9.526 -13.349 -13.252 1.00 0.00 H new ATOM 140 N ASN C 337 10.657 -14.558 -8.901 1.00 0.00 N ATOM 141 CA ASN C 337 11.013 -15.138 -7.614 1.00 0.00 C ATOM 142 C ASN C 337 10.740 -14.148 -6.487 1.00 0.00 C ATOM 143 O ASN C 337 10.341 -14.540 -5.389 1.00 0.00 O ATOM 144 CB ASN C 337 12.491 -15.539 -7.602 1.00 0.00 C ATOM 145 CG ASN C 337 12.882 -16.049 -6.219 1.00 0.00 C ATOM 146 OD1 ASN C 337 13.517 -15.329 -5.447 1.00 0.00 O ATOM 147 ND2 ASN C 337 12.539 -17.254 -5.855 1.00 0.00 N ATOM 0 H ASN C 337 11.442 -14.422 -9.538 1.00 0.00 H new ATOM 0 HA ASN C 337 10.401 -16.026 -7.459 1.00 0.00 H new ATOM 0 HB2 ASN C 337 12.673 -16.312 -8.348 1.00 0.00 H new ATOM 0 HB3 ASN C 337 13.111 -14.684 -7.872 1.00 0.00 H new ATOM 0 HD21 ASN C 337 12.797 -17.600 -4.931 1.00 0.00 H new ATOM 0 HD22 ASN C 337 12.013 -17.850 -6.495 1.00 0.00 H new ATOM 154 N ASN C 338 10.962 -12.861 -6.761 1.00 0.00 N ATOM 155 CA ASN C 338 10.746 -11.811 -5.762 1.00 0.00 C ATOM 156 C ASN C 338 9.686 -10.826 -6.238 1.00 0.00 C ATOM 157 O ASN C 338 9.960 -9.639 -6.416 1.00 0.00 O ATOM 158 CB ASN C 338 12.058 -11.064 -5.509 1.00 0.00 C ATOM 159 CG ASN C 338 11.850 -9.999 -4.438 1.00 0.00 C ATOM 160 OD1 ASN C 338 10.713 -9.659 -4.115 1.00 0.00 O ATOM 161 ND2 ASN C 338 12.886 -9.452 -3.865 1.00 0.00 N ATOM 0 H ASN C 338 11.291 -12.521 -7.665 1.00 0.00 H new ATOM 0 HA ASN C 338 10.402 -12.277 -4.838 1.00 0.00 H new ATOM 0 HB2 ASN C 338 12.830 -11.765 -5.192 1.00 0.00 H new ATOM 0 HB3 ASN C 338 12.407 -10.601 -6.432 1.00 0.00 H new ATOM 0 HD21 ASN C 338 12.755 -8.740 -3.147 1.00 0.00 H new ATOM 0 HD22 ASN C 338 13.828 -9.736 -4.135 1.00 0.00 H new ATOM 168 N ASP C 339 8.470 -11.328 -6.434 1.00 0.00 N ATOM 169 CA ASP C 339 7.372 -10.484 -6.886 1.00 0.00 C ATOM 170 C ASP C 339 6.777 -9.722 -5.709 1.00 0.00 C ATOM 171 O ASP C 339 5.748 -10.115 -5.157 1.00 0.00 O ATOM 172 CB ASP C 339 6.285 -11.342 -7.540 1.00 0.00 C ATOM 173 CG ASP C 339 5.746 -12.356 -6.535 1.00 0.00 C ATOM 174 OD1 ASP C 339 6.317 -12.457 -5.463 1.00 0.00 O ATOM 175 OD2 ASP C 339 4.770 -13.014 -6.854 1.00 0.00 O ATOM 0 H ASP C 339 8.223 -12.307 -6.288 1.00 0.00 H new ATOM 0 HA ASP C 339 7.758 -9.772 -7.616 1.00 0.00 H new ATOM 0 HB2 ASP C 339 5.475 -10.707 -7.898 1.00 0.00 H new ATOM 0 HB3 ASP C 339 6.692 -11.860 -8.409 1.00 0.00 H new ATOM 180 N ASP C 340 7.432 -8.632 -5.327 1.00 0.00 N ATOM 181 CA ASP C 340 6.963 -7.821 -4.212 1.00 0.00 C ATOM 182 C ASP C 340 7.753 -6.520 -4.136 1.00 0.00 C ATOM 183 O ASP C 340 8.982 -6.525 -4.176 1.00 0.00 O ATOM 184 CB ASP C 340 7.118 -8.590 -2.899 1.00 0.00 C ATOM 185 CG ASP C 340 6.424 -7.836 -1.768 1.00 0.00 C ATOM 186 OD1 ASP C 340 5.235 -7.592 -1.887 1.00 0.00 O ATOM 187 OD2 ASP C 340 7.092 -7.514 -0.800 1.00 0.00 O ATOM 0 H ASP C 340 8.285 -8.291 -5.771 1.00 0.00 H new ATOM 0 HA ASP C 340 5.910 -7.591 -4.372 1.00 0.00 H new ATOM 0 HB2 ASP C 340 6.689 -9.587 -2.999 1.00 0.00 H new ATOM 0 HB3 ASP C 340 8.175 -8.719 -2.666 1.00 0.00 H new ATOM 192 N CYS C 341 7.034 -5.404 -4.021 1.00 0.00 N ATOM 193 CA CYS C 341 7.667 -4.086 -3.933 1.00 0.00 C ATOM 194 C CYS C 341 7.602 -3.545 -2.508 1.00 0.00 C ATOM 195 O CYS C 341 6.606 -3.722 -1.811 1.00 0.00 O ATOM 196 CB CYS C 341 6.974 -3.104 -4.885 1.00 0.00 C ATOM 197 SG CYS C 341 8.154 -1.824 -5.390 1.00 0.00 S ATOM 0 H CYS C 341 6.015 -5.385 -3.987 1.00 0.00 H new ATOM 0 HA CYS C 341 8.713 -4.194 -4.219 1.00 0.00 H new ATOM 0 HB2 CYS C 341 6.597 -3.633 -5.760 1.00 0.00 H new ATOM 0 HB3 CYS C 341 6.114 -2.649 -4.393 1.00 0.00 H new ATOM 202 N ALA C 342 8.670 -2.875 -2.086 1.00 0.00 N ATOM 203 CA ALA C 342 8.723 -2.293 -0.746 1.00 0.00 C ATOM 204 C ALA C 342 8.283 -0.829 -0.793 1.00 0.00 C ATOM 205 O ALA C 342 7.881 -0.259 0.221 1.00 0.00 O ATOM 206 CB ALA C 342 10.156 -2.402 -0.193 1.00 0.00 C ATOM 0 H ALA C 342 9.507 -2.721 -2.648 1.00 0.00 H new ATOM 0 HA ALA C 342 8.045 -2.838 -0.089 1.00 0.00 H new ATOM 0 HB1 ALA C 342 10.194 -1.968 0.806 1.00 0.00 H new ATOM 0 HB2 ALA C 342 10.448 -3.451 -0.144 1.00 0.00 H new ATOM 0 HB3 ALA C 342 10.841 -1.865 -0.849 1.00 0.00 H new ATOM 212 N ILE C 343 8.365 -0.225 -1.978 1.00 0.00 N ATOM 213 CA ILE C 343 7.980 1.176 -2.145 1.00 0.00 C ATOM 214 C ILE C 343 6.518 1.300 -2.560 1.00 0.00 C ATOM 215 O ILE C 343 5.663 1.664 -1.754 1.00 0.00 O ATOM 216 CB ILE C 343 8.863 1.832 -3.205 1.00 0.00 C ATOM 217 CG1 ILE C 343 10.322 1.788 -2.748 1.00 0.00 C ATOM 218 CG2 ILE C 343 8.437 3.290 -3.390 1.00 0.00 C ATOM 219 CD1 ILE C 343 11.238 2.194 -3.906 1.00 0.00 C ATOM 0 H ILE C 343 8.692 -0.680 -2.831 1.00 0.00 H new ATOM 0 HA ILE C 343 8.112 1.679 -1.187 1.00 0.00 H new ATOM 0 HB ILE C 343 8.758 1.297 -4.149 1.00 0.00 H new ATOM 0 HG12 ILE C 343 10.469 2.460 -1.903 1.00 0.00 H new ATOM 0 HG13 ILE C 343 10.576 0.785 -2.405 1.00 0.00 H new ATOM 0 HG21 ILE C 343 9.066 3.760 -4.146 1.00 0.00 H new ATOM 0 HG22 ILE C 343 7.396 3.327 -3.710 1.00 0.00 H new ATOM 0 HG23 ILE C 343 8.545 3.823 -2.446 1.00 0.00 H new ATOM 0 HD11 ILE C 343 12.277 2.162 -3.577 1.00 0.00 H new ATOM 0 HD12 ILE C 343 11.099 1.504 -4.739 1.00 0.00 H new ATOM 0 HD13 ILE C 343 10.991 3.206 -4.228 1.00 0.00 H new ATOM 231 N CYS C 344 6.243 1.001 -3.828 1.00 0.00 N ATOM 232 CA CYS C 344 4.885 1.089 -4.348 1.00 0.00 C ATOM 233 C CYS C 344 3.982 0.066 -3.676 1.00 0.00 C ATOM 234 O CYS C 344 2.775 0.273 -3.576 1.00 0.00 O ATOM 235 CB CYS C 344 4.881 0.863 -5.860 1.00 0.00 C ATOM 236 SG CYS C 344 5.416 -0.828 -6.231 1.00 0.00 S ATOM 0 H CYS C 344 6.939 0.698 -4.509 1.00 0.00 H new ATOM 0 HA CYS C 344 4.504 2.087 -4.132 1.00 0.00 H new ATOM 0 HB2 CYS C 344 3.881 1.034 -6.259 1.00 0.00 H new ATOM 0 HB3 CYS C 344 5.545 1.579 -6.345 1.00 0.00 H new ATOM 241 N TRP C 345 4.572 -1.035 -3.222 1.00 0.00 N ATOM 242 CA TRP C 345 3.808 -2.090 -2.561 1.00 0.00 C ATOM 243 C TRP C 345 2.978 -2.873 -3.573 1.00 0.00 C ATOM 244 O TRP C 345 1.853 -3.280 -3.282 1.00 0.00 O ATOM 245 CB TRP C 345 2.885 -1.486 -1.489 1.00 0.00 C ATOM 246 CG TRP C 345 2.561 -2.521 -0.463 1.00 0.00 C ATOM 247 CD1 TRP C 345 1.355 -3.112 -0.310 1.00 0.00 C ATOM 248 CD2 TRP C 345 3.432 -3.098 0.548 1.00 0.00 C ATOM 249 NE1 TRP C 345 1.428 -4.012 0.736 1.00 0.00 N ATOM 250 CE2 TRP C 345 2.689 -4.041 1.297 1.00 0.00 C ATOM 251 CE3 TRP C 345 4.782 -2.897 0.887 1.00 0.00 C ATOM 252 CZ2 TRP C 345 3.265 -4.758 2.345 1.00 0.00 C ATOM 253 CZ3 TRP C 345 5.364 -3.617 1.941 1.00 0.00 C ATOM 254 CH2 TRP C 345 4.607 -4.546 2.668 1.00 0.00 C ATOM 0 H TRP C 345 5.572 -1.221 -3.299 1.00 0.00 H new ATOM 0 HA TRP C 345 4.513 -2.772 -2.086 1.00 0.00 H new ATOM 0 HB2 TRP C 345 3.370 -0.632 -1.017 1.00 0.00 H new ATOM 0 HB3 TRP C 345 1.969 -1.118 -1.950 1.00 0.00 H new ATOM 0 HD1 TRP C 345 0.478 -2.913 -0.908 1.00 0.00 H new ATOM 0 HE1 TRP C 345 0.646 -4.585 1.054 1.00 0.00 H new ATOM 0 HE3 TRP C 345 5.374 -2.184 0.333 1.00 0.00 H new ATOM 0 HZ2 TRP C 345 2.678 -5.472 2.903 1.00 0.00 H new ATOM 0 HZ3 TRP C 345 6.401 -3.455 2.194 1.00 0.00 H new ATOM 0 HH2 TRP C 345 5.061 -5.098 3.478 1.00 0.00 H new ATOM 265 N ASP C 346 3.538 -3.082 -4.763 1.00 0.00 N ATOM 266 CA ASP C 346 2.844 -3.818 -5.822 1.00 0.00 C ATOM 267 C ASP C 346 3.703 -4.984 -6.301 1.00 0.00 C ATOM 268 O ASP C 346 4.647 -5.390 -5.625 1.00 0.00 O ATOM 269 CB ASP C 346 2.549 -2.874 -6.989 1.00 0.00 C ATOM 270 CG ASP C 346 1.503 -1.848 -6.572 1.00 0.00 C ATOM 271 OD1 ASP C 346 0.860 -2.067 -5.557 1.00 0.00 O ATOM 272 OD2 ASP C 346 1.360 -0.858 -7.269 1.00 0.00 O ATOM 0 H ASP C 346 4.469 -2.753 -5.019 1.00 0.00 H new ATOM 0 HA ASP C 346 1.907 -4.212 -5.429 1.00 0.00 H new ATOM 0 HB2 ASP C 346 3.463 -2.369 -7.300 1.00 0.00 H new ATOM 0 HB3 ASP C 346 2.192 -3.443 -7.847 1.00 0.00 H new ATOM 277 N SER C 347 3.366 -5.521 -7.470 1.00 0.00 N ATOM 278 CA SER C 347 4.110 -6.643 -8.036 1.00 0.00 C ATOM 279 C SER C 347 4.117 -6.555 -9.557 1.00 0.00 C ATOM 280 O SER C 347 3.078 -6.716 -10.200 1.00 0.00 O ATOM 281 CB SER C 347 3.465 -7.957 -7.606 1.00 0.00 C ATOM 282 OG SER C 347 3.591 -8.099 -6.198 1.00 0.00 O ATOM 0 H SER C 347 2.586 -5.199 -8.042 1.00 0.00 H new ATOM 0 HA SER C 347 5.137 -6.604 -7.672 1.00 0.00 H new ATOM 0 HB2 SER C 347 2.413 -7.971 -7.893 1.00 0.00 H new ATOM 0 HB3 SER C 347 3.945 -8.795 -8.113 1.00 0.00 H new ATOM 0 HG SER C 347 4.292 -8.754 -5.997 1.00 0.00 H new ATOM 288 N MET C 348 5.291 -6.297 -10.135 1.00 0.00 N ATOM 289 CA MET C 348 5.422 -6.188 -11.589 1.00 0.00 C ATOM 290 C MET C 348 6.697 -6.880 -12.052 1.00 0.00 C ATOM 291 O MET C 348 7.567 -7.204 -11.244 1.00 0.00 O ATOM 292 CB MET C 348 5.463 -4.719 -12.008 1.00 0.00 C ATOM 293 CG MET C 348 4.204 -4.010 -11.503 1.00 0.00 C ATOM 294 SD MET C 348 4.271 -2.259 -11.959 1.00 0.00 S ATOM 295 CE MET C 348 4.183 -2.482 -13.753 1.00 0.00 C ATOM 0 H MET C 348 6.162 -6.160 -9.621 1.00 0.00 H new ATOM 0 HA MET C 348 4.560 -6.669 -12.051 1.00 0.00 H new ATOM 0 HB2 MET C 348 6.352 -4.238 -11.601 1.00 0.00 H new ATOM 0 HB3 MET C 348 5.527 -4.641 -13.093 1.00 0.00 H new ATOM 0 HG2 MET C 348 3.316 -4.474 -11.932 1.00 0.00 H new ATOM 0 HG3 MET C 348 4.126 -4.112 -10.421 1.00 0.00 H new ATOM 0 HE1 MET C 348 3.724 -1.604 -14.207 1.00 0.00 H new ATOM 0 HE2 MET C 348 5.188 -2.613 -14.153 1.00 0.00 H new ATOM 0 HE3 MET C 348 3.584 -3.364 -13.981 1.00 0.00 H new ATOM 305 N GLN C 349 6.798 -7.112 -13.355 1.00 0.00 N ATOM 306 CA GLN C 349 7.967 -7.775 -13.911 1.00 0.00 C ATOM 307 C GLN C 349 9.212 -6.910 -13.741 1.00 0.00 C ATOM 308 O GLN C 349 10.300 -7.417 -13.468 1.00 0.00 O ATOM 309 CB GLN C 349 7.739 -8.061 -15.396 1.00 0.00 C ATOM 310 CG GLN C 349 8.731 -9.119 -15.876 1.00 0.00 C ATOM 311 CD GLN C 349 8.367 -10.476 -15.282 1.00 0.00 C ATOM 312 OE1 GLN C 349 7.277 -10.990 -15.535 1.00 0.00 O ATOM 313 NE2 GLN C 349 9.213 -11.087 -14.500 1.00 0.00 N ATOM 0 H GLN C 349 6.089 -6.852 -14.041 1.00 0.00 H new ATOM 0 HA GLN C 349 8.120 -8.712 -13.376 1.00 0.00 H new ATOM 0 HB2 GLN C 349 6.718 -8.407 -15.557 1.00 0.00 H new ATOM 0 HB3 GLN C 349 7.860 -7.146 -15.975 1.00 0.00 H new ATOM 0 HG2 GLN C 349 8.720 -9.174 -16.965 1.00 0.00 H new ATOM 0 HG3 GLN C 349 9.743 -8.842 -15.581 1.00 0.00 H new ATOM 0 HE21 GLN C 349 10.115 -10.659 -14.292 1.00 0.00 H new ATOM 0 HE22 GLN C 349 8.972 -11.992 -14.097 1.00 0.00 H new ATOM 322 N ALA C 350 9.046 -5.602 -13.911 1.00 0.00 N ATOM 323 CA ALA C 350 10.168 -4.681 -13.783 1.00 0.00 C ATOM 324 C ALA C 350 10.810 -4.804 -12.404 1.00 0.00 C ATOM 325 O ALA C 350 10.134 -4.675 -11.383 1.00 0.00 O ATOM 326 CB ALA C 350 9.685 -3.245 -13.995 1.00 0.00 C ATOM 0 H ALA C 350 8.155 -5.160 -14.135 1.00 0.00 H new ATOM 0 HA ALA C 350 10.911 -4.934 -14.540 1.00 0.00 H new ATOM 0 HB1 ALA C 350 10.527 -2.560 -13.898 1.00 0.00 H new ATOM 0 HB2 ALA C 350 9.252 -3.150 -14.991 1.00 0.00 H new ATOM 0 HB3 ALA C 350 8.931 -3.001 -13.247 1.00 0.00 H new ATOM 332 N ALA C 351 12.114 -5.068 -12.384 1.00 0.00 N ATOM 333 CA ALA C 351 12.851 -5.219 -11.126 1.00 0.00 C ATOM 334 C ALA C 351 14.302 -4.793 -11.308 1.00 0.00 C ATOM 335 O ALA C 351 15.102 -5.502 -11.921 1.00 0.00 O ATOM 336 CB ALA C 351 12.792 -6.677 -10.672 1.00 0.00 C ATOM 0 H ALA C 351 12.684 -5.182 -13.222 1.00 0.00 H new ATOM 0 HA ALA C 351 12.393 -4.583 -10.368 1.00 0.00 H new ATOM 0 HB1 ALA C 351 13.340 -6.789 -9.737 1.00 0.00 H new ATOM 0 HB2 ALA C 351 11.753 -6.969 -10.521 1.00 0.00 H new ATOM 0 HB3 ALA C 351 13.241 -7.314 -11.434 1.00 0.00 H new ATOM 342 N ARG C 352 14.630 -3.629 -10.769 1.00 0.00 N ATOM 343 CA ARG C 352 15.983 -3.095 -10.860 1.00 0.00 C ATOM 344 C ARG C 352 16.646 -3.168 -9.498 1.00 0.00 C ATOM 345 O ARG C 352 15.968 -3.148 -8.477 1.00 0.00 O ATOM 346 CB ARG C 352 15.951 -1.647 -11.346 1.00 0.00 C ATOM 347 CG ARG C 352 17.392 -1.128 -11.523 1.00 0.00 C ATOM 348 CD ARG C 352 17.431 -0.040 -12.596 1.00 0.00 C ATOM 349 NE ARG C 352 18.775 0.513 -12.692 1.00 0.00 N ATOM 350 CZ ARG C 352 19.745 -0.147 -13.316 1.00 0.00 C ATOM 351 NH1 ARG C 352 19.510 -1.320 -13.840 1.00 0.00 N ATOM 352 NH2 ARG C 352 20.935 0.377 -13.400 1.00 0.00 N ATOM 0 H ARG C 352 13.976 -3.033 -10.262 1.00 0.00 H new ATOM 0 HA ARG C 352 16.553 -3.688 -11.575 1.00 0.00 H new ATOM 0 HB2 ARG C 352 15.412 -1.582 -12.291 1.00 0.00 H new ATOM 0 HB3 ARG C 352 15.415 -1.024 -10.630 1.00 0.00 H new ATOM 0 HG2 ARG C 352 17.762 -0.731 -10.578 1.00 0.00 H new ATOM 0 HG3 ARG C 352 18.051 -1.950 -11.803 1.00 0.00 H new ATOM 0 HD2 ARG C 352 17.129 -0.455 -13.558 1.00 0.00 H new ATOM 0 HD3 ARG C 352 16.720 0.749 -12.352 1.00 0.00 H new ATOM 0 HE ARG C 352 18.975 1.421 -12.274 1.00 0.00 H new ATOM 0 HH11 ARG C 352 18.580 -1.732 -13.771 1.00 0.00 H new ATOM 0 HH12 ARG C 352 20.257 -1.824 -14.318 1.00 0.00 H new ATOM 0 HH21 ARG C 352 21.120 1.291 -12.987 1.00 0.00 H new ATOM 0 HH22 ARG C 352 21.682 -0.127 -13.878 1.00 0.00 H new ATOM 366 N LYS C 353 17.975 -3.260 -9.487 1.00 0.00 N ATOM 367 CA LYS C 353 18.732 -3.356 -8.236 1.00 0.00 C ATOM 368 C LYS C 353 19.523 -2.090 -7.976 1.00 0.00 C ATOM 369 O LYS C 353 20.247 -1.604 -8.844 1.00 0.00 O ATOM 370 CB LYS C 353 19.690 -4.539 -8.307 1.00 0.00 C ATOM 371 CG LYS C 353 20.526 -4.612 -7.024 1.00 0.00 C ATOM 372 CD LYS C 353 21.393 -5.867 -7.047 1.00 0.00 C ATOM 373 CE LYS C 353 22.210 -5.941 -5.758 1.00 0.00 C ATOM 374 NZ LYS C 353 23.036 -7.181 -5.762 1.00 0.00 N ATOM 0 H LYS C 353 18.551 -3.270 -10.329 1.00 0.00 H new ATOM 0 HA LYS C 353 18.022 -3.496 -7.420 1.00 0.00 H new ATOM 0 HB2 LYS C 353 19.129 -5.464 -8.439 1.00 0.00 H new ATOM 0 HB3 LYS C 353 20.345 -4.436 -9.172 1.00 0.00 H new ATOM 0 HG2 LYS C 353 21.154 -3.726 -6.937 1.00 0.00 H new ATOM 0 HG3 LYS C 353 19.872 -4.626 -6.152 1.00 0.00 H new ATOM 0 HD2 LYS C 353 20.767 -6.754 -7.145 1.00 0.00 H new ATOM 0 HD3 LYS C 353 22.057 -5.848 -7.911 1.00 0.00 H new ATOM 0 HE2 LYS C 353 22.852 -5.064 -5.671 1.00 0.00 H new ATOM 0 HE3 LYS C 353 21.546 -5.937 -4.894 1.00 0.00 H new ATOM 0 HZ1 LYS C 353 23.592 -7.231 -4.884 1.00 0.00 H new ATOM 0 HZ2 LYS C 353 22.414 -8.012 -5.826 1.00 0.00 H new ATOM 0 HZ3 LYS C 353 23.679 -7.167 -6.579 1.00 0.00 H new ATOM 388 N LEU C 354 19.386 -1.563 -6.766 1.00 0.00 N ATOM 389 CA LEU C 354 20.099 -0.349 -6.389 1.00 0.00 C ATOM 390 C LEU C 354 21.532 -0.681 -5.974 1.00 0.00 C ATOM 391 O LEU C 354 21.814 -1.800 -5.538 1.00 0.00 O ATOM 392 CB LEU C 354 19.370 0.339 -5.222 1.00 0.00 C ATOM 393 CG LEU C 354 18.189 1.175 -5.724 1.00 0.00 C ATOM 394 CD1 LEU C 354 17.242 1.423 -4.543 1.00 0.00 C ATOM 395 CD2 LEU C 354 18.657 2.528 -6.291 1.00 0.00 C ATOM 0 H LEU C 354 18.793 -1.953 -6.034 1.00 0.00 H new ATOM 0 HA LEU C 354 20.127 0.322 -7.248 1.00 0.00 H new ATOM 0 HB2 LEU C 354 19.014 -0.413 -4.518 1.00 0.00 H new ATOM 0 HB3 LEU C 354 20.067 0.978 -4.680 1.00 0.00 H new ATOM 0 HG LEU C 354 17.687 0.632 -6.525 1.00 0.00 H new ATOM 0 HD11 LEU C 354 16.392 2.018 -4.877 1.00 0.00 H new ATOM 0 HD12 LEU C 354 16.887 0.468 -4.155 1.00 0.00 H new ATOM 0 HD13 LEU C 354 17.773 1.959 -3.757 1.00 0.00 H new ATOM 0 HD21 LEU C 354 17.793 3.095 -6.638 1.00 0.00 H new ATOM 0 HD22 LEU C 354 19.172 3.091 -5.512 1.00 0.00 H new ATOM 0 HD23 LEU C 354 19.338 2.357 -7.125 1.00 0.00 H new ATOM 407 N PRO C 355 22.430 0.269 -6.089 1.00 0.00 N ATOM 408 CA PRO C 355 23.854 0.076 -5.691 1.00 0.00 C ATOM 409 C PRO C 355 23.985 -0.225 -4.194 1.00 0.00 C ATOM 410 O PRO C 355 25.003 -0.753 -3.746 1.00 0.00 O ATOM 411 CB PRO C 355 24.525 1.421 -6.061 1.00 0.00 C ATOM 412 CG PRO C 355 23.406 2.414 -6.135 1.00 0.00 C ATOM 413 CD PRO C 355 22.194 1.628 -6.618 1.00 0.00 C ATOM 0 HA PRO C 355 24.317 -0.775 -6.191 1.00 0.00 H new ATOM 0 HB2 PRO C 355 25.261 1.713 -5.312 1.00 0.00 H new ATOM 0 HB3 PRO C 355 25.051 1.349 -7.013 1.00 0.00 H new ATOM 0 HG2 PRO C 355 23.218 2.866 -5.161 1.00 0.00 H new ATOM 0 HG3 PRO C 355 23.646 3.225 -6.822 1.00 0.00 H new ATOM 0 HD2 PRO C 355 21.264 2.051 -6.238 1.00 0.00 H new ATOM 0 HD3 PRO C 355 22.123 1.628 -7.706 1.00 0.00 H new ATOM 421 N CYS C 356 22.945 0.109 -3.433 1.00 0.00 N ATOM 422 CA CYS C 356 22.956 -0.133 -1.993 1.00 0.00 C ATOM 423 C CYS C 356 22.737 -1.616 -1.697 1.00 0.00 C ATOM 424 O CYS C 356 23.509 -2.229 -0.960 1.00 0.00 O ATOM 425 CB CYS C 356 21.861 0.710 -1.321 1.00 0.00 C ATOM 426 SG CYS C 356 21.551 0.112 0.362 1.00 0.00 S ATOM 0 H CYS C 356 22.092 0.544 -3.785 1.00 0.00 H new ATOM 0 HA CYS C 356 23.928 0.155 -1.593 1.00 0.00 H new ATOM 0 HB2 CYS C 356 22.164 1.757 -1.292 1.00 0.00 H new ATOM 0 HB3 CYS C 356 20.943 0.660 -1.907 1.00 0.00 H new ATOM 431 N GLY C 357 21.683 -2.185 -2.282 1.00 0.00 N ATOM 432 CA GLY C 357 21.361 -3.602 -2.082 1.00 0.00 C ATOM 433 C GLY C 357 19.860 -3.794 -1.913 1.00 0.00 C ATOM 434 O GLY C 357 19.407 -4.401 -0.941 1.00 0.00 O ATOM 0 H GLY C 357 21.038 -1.690 -2.897 1.00 0.00 H new ATOM 0 HA2 GLY C 357 21.713 -4.184 -2.934 1.00 0.00 H new ATOM 0 HA3 GLY C 357 21.882 -3.978 -1.202 1.00 0.00 H new ATOM 438 N HIS C 358 19.088 -3.307 -2.881 1.00 0.00 N ATOM 439 CA HIS C 358 17.636 -3.442 -2.835 1.00 0.00 C ATOM 440 C HIS C 358 17.077 -3.572 -4.249 1.00 0.00 C ATOM 441 O HIS C 358 17.608 -2.983 -5.186 1.00 0.00 O ATOM 442 CB HIS C 358 17.031 -2.213 -2.150 1.00 0.00 C ATOM 443 CG HIS C 358 17.333 -2.266 -0.675 1.00 0.00 C ATOM 444 ND1 HIS C 358 18.449 -1.649 -0.118 1.00 0.00 N ATOM 445 CD2 HIS C 358 16.692 -2.889 0.367 1.00 0.00 C ATOM 446 CE1 HIS C 358 18.447 -1.927 1.198 1.00 0.00 C ATOM 447 NE2 HIS C 358 17.398 -2.674 1.547 1.00 0.00 N ATOM 0 H HIS C 358 19.442 -2.818 -3.703 1.00 0.00 H new ATOM 0 HA HIS C 358 17.377 -4.338 -2.270 1.00 0.00 H new ATOM 0 HB2 HIS C 358 17.441 -1.301 -2.584 1.00 0.00 H new ATOM 0 HB3 HIS C 358 15.953 -2.186 -2.312 1.00 0.00 H new ATOM 0 HD2 HIS C 358 15.779 -3.459 0.284 1.00 0.00 H new ATOM 0 HE1 HIS C 358 19.204 -1.586 1.889 1.00 0.00 H new ATOM 0 HE2 HIS C 358 17.164 -3.015 2.479 1.00 0.00 H new ATOM 455 N LEU C 359 16.008 -4.361 -4.399 1.00 0.00 N ATOM 456 CA LEU C 359 15.392 -4.580 -5.720 1.00 0.00 C ATOM 457 C LEU C 359 14.121 -3.755 -5.886 1.00 0.00 C ATOM 458 O LEU C 359 13.127 -4.013 -5.207 1.00 0.00 O ATOM 459 CB LEU C 359 15.025 -6.048 -5.861 1.00 0.00 C ATOM 460 CG LEU C 359 16.233 -6.922 -5.522 1.00 0.00 C ATOM 461 CD1 LEU C 359 15.819 -8.394 -5.557 1.00 0.00 C ATOM 462 CD2 LEU C 359 17.352 -6.677 -6.541 1.00 0.00 C ATOM 0 H LEU C 359 15.552 -4.856 -3.633 1.00 0.00 H new ATOM 0 HA LEU C 359 16.112 -4.278 -6.481 1.00 0.00 H new ATOM 0 HB2 LEU C 359 14.194 -6.289 -5.199 1.00 0.00 H new ATOM 0 HB3 LEU C 359 14.692 -6.252 -6.878 1.00 0.00 H new ATOM 0 HG LEU C 359 16.596 -6.669 -4.526 1.00 0.00 H new ATOM 0 HD11 LEU C 359 16.678 -9.020 -5.316 1.00 0.00 H new ATOM 0 HD12 LEU C 359 15.028 -8.567 -4.827 1.00 0.00 H new ATOM 0 HD13 LEU C 359 15.455 -8.646 -6.553 1.00 0.00 H new ATOM 0 HD21 LEU C 359 18.211 -7.302 -6.296 1.00 0.00 H new ATOM 0 HD22 LEU C 359 16.995 -6.927 -7.540 1.00 0.00 H new ATOM 0 HD23 LEU C 359 17.647 -5.628 -6.513 1.00 0.00 H new ATOM 474 N PHE C 360 14.160 -2.762 -6.790 1.00 0.00 N ATOM 475 CA PHE C 360 13.018 -1.864 -7.040 1.00 0.00 C ATOM 476 C PHE C 360 12.643 -1.903 -8.502 1.00 0.00 C ATOM 477 O PHE C 360 13.490 -2.028 -9.386 1.00 0.00 O ATOM 478 CB PHE C 360 13.426 -0.434 -6.639 1.00 0.00 C ATOM 479 CG PHE C 360 13.486 -0.259 -5.119 1.00 0.00 C ATOM 480 CD1 PHE C 360 12.995 -1.219 -4.206 1.00 0.00 C ATOM 481 CD2 PHE C 360 14.153 0.861 -4.620 1.00 0.00 C ATOM 482 CE1 PHE C 360 13.164 -1.028 -2.827 1.00 0.00 C ATOM 483 CE2 PHE C 360 14.311 1.044 -3.244 1.00 0.00 C ATOM 484 CZ PHE C 360 13.818 0.099 -2.351 1.00 0.00 C ATOM 0 H PHE C 360 14.978 -2.559 -7.365 1.00 0.00 H new ATOM 0 HA PHE C 360 12.156 -2.184 -6.454 1.00 0.00 H new ATOM 0 HB2 PHE C 360 14.400 -0.201 -7.069 1.00 0.00 H new ATOM 0 HB3 PHE C 360 12.714 0.277 -7.058 1.00 0.00 H new ATOM 0 HD1 PHE C 360 12.489 -2.101 -4.570 1.00 0.00 H new ATOM 0 HD2 PHE C 360 14.551 1.594 -5.305 1.00 0.00 H new ATOM 0 HE1 PHE C 360 12.783 -1.762 -2.132 1.00 0.00 H new ATOM 0 HE2 PHE C 360 14.818 1.922 -2.873 1.00 0.00 H new ATOM 0 HZ PHE C 360 13.944 0.242 -1.288 1.00 0.00 H new ATOM 494 N HIS C 361 11.348 -1.792 -8.732 1.00 0.00 N ATOM 495 CA HIS C 361 10.819 -1.829 -10.073 1.00 0.00 C ATOM 496 C HIS C 361 11.327 -0.641 -10.863 1.00 0.00 C ATOM 497 O HIS C 361 11.779 0.350 -10.294 1.00 0.00 O ATOM 498 CB HIS C 361 9.290 -1.828 -10.034 1.00 0.00 C ATOM 499 CG HIS C 361 8.801 -3.001 -9.227 1.00 0.00 C ATOM 500 ND1 HIS C 361 7.475 -3.135 -8.847 1.00 0.00 N ATOM 501 CD2 HIS C 361 9.443 -4.117 -8.747 1.00 0.00 C ATOM 502 CE1 HIS C 361 7.361 -4.298 -8.177 1.00 0.00 C ATOM 503 NE2 HIS C 361 8.532 -4.933 -8.084 1.00 0.00 N ATOM 0 H HIS C 361 10.645 -1.675 -8.002 1.00 0.00 H new ATOM 0 HA HIS C 361 11.154 -2.743 -10.562 1.00 0.00 H new ATOM 0 HB2 HIS C 361 8.929 -0.897 -9.596 1.00 0.00 H new ATOM 0 HB3 HIS C 361 8.891 -1.880 -11.047 1.00 0.00 H new ATOM 0 HD2 HIS C 361 10.495 -4.329 -8.866 1.00 0.00 H new ATOM 0 HE1 HIS C 361 6.435 -4.671 -7.765 1.00 0.00 H new ATOM 0 HE2 HIS C 361 8.718 -5.825 -7.625 1.00 0.00 H new ATOM 511 N ASN C 362 11.265 -0.746 -12.179 1.00 0.00 N ATOM 512 CA ASN C 362 11.739 0.329 -13.037 1.00 0.00 C ATOM 513 C ASN C 362 10.960 1.614 -12.763 1.00 0.00 C ATOM 514 O ASN C 362 11.539 2.696 -12.681 1.00 0.00 O ATOM 515 CB ASN C 362 11.569 -0.072 -14.503 1.00 0.00 C ATOM 516 CG ASN C 362 12.062 1.048 -15.413 1.00 0.00 C ATOM 517 OD1 ASN C 362 12.991 1.773 -15.058 1.00 0.00 O ATOM 518 ND2 ASN C 362 11.494 1.233 -16.574 1.00 0.00 N ATOM 0 H ASN C 362 10.895 -1.557 -12.675 1.00 0.00 H new ATOM 0 HA ASN C 362 12.793 0.507 -12.826 1.00 0.00 H new ATOM 0 HB2 ASN C 362 12.126 -0.987 -14.705 1.00 0.00 H new ATOM 0 HB3 ASN C 362 10.520 -0.285 -14.711 1.00 0.00 H new ATOM 0 HD21 ASN C 362 11.820 1.979 -17.188 1.00 0.00 H new ATOM 0 HD22 ASN C 362 10.724 0.631 -16.867 1.00 0.00 H new ATOM 525 N SER C 363 9.644 1.489 -12.622 1.00 0.00 N ATOM 526 CA SER C 363 8.801 2.647 -12.355 1.00 0.00 C ATOM 527 C SER C 363 8.980 3.133 -10.918 1.00 0.00 C ATOM 528 O SER C 363 8.996 4.334 -10.652 1.00 0.00 O ATOM 529 CB SER C 363 7.339 2.288 -12.593 1.00 0.00 C ATOM 530 OG SER C 363 7.114 2.157 -13.991 1.00 0.00 O ATOM 0 H SER C 363 9.142 0.604 -12.688 1.00 0.00 H new ATOM 0 HA SER C 363 9.097 3.448 -13.032 1.00 0.00 H new ATOM 0 HB2 SER C 363 7.093 1.356 -12.084 1.00 0.00 H new ATOM 0 HB3 SER C 363 6.690 3.059 -12.178 1.00 0.00 H new ATOM 0 HG SER C 363 6.176 1.924 -14.151 1.00 0.00 H new ATOM 536 N CYS C 364 9.104 2.186 -9.996 1.00 0.00 N ATOM 537 CA CYS C 364 9.270 2.527 -8.587 1.00 0.00 C ATOM 538 C CYS C 364 10.641 3.137 -8.324 1.00 0.00 C ATOM 539 O CYS C 364 10.759 4.164 -7.655 1.00 0.00 O ATOM 540 CB CYS C 364 9.105 1.276 -7.723 1.00 0.00 C ATOM 541 SG CYS C 364 7.445 0.604 -7.960 1.00 0.00 S ATOM 0 H CYS C 364 9.093 1.186 -10.195 1.00 0.00 H new ATOM 0 HA CYS C 364 8.506 3.261 -8.330 1.00 0.00 H new ATOM 0 HB2 CYS C 364 9.854 0.531 -7.994 1.00 0.00 H new ATOM 0 HB3 CYS C 364 9.264 1.521 -6.673 1.00 0.00 H new ATOM 546 N LEU C 365 11.678 2.498 -8.853 1.00 0.00 N ATOM 547 CA LEU C 365 13.032 2.987 -8.648 1.00 0.00 C ATOM 548 C LEU C 365 13.219 4.342 -9.330 1.00 0.00 C ATOM 549 O LEU C 365 13.654 5.314 -8.711 1.00 0.00 O ATOM 550 CB LEU C 365 14.042 1.965 -9.209 1.00 0.00 C ATOM 551 CG LEU C 365 15.405 2.122 -8.516 1.00 0.00 C ATOM 552 CD1 LEU C 365 16.375 1.063 -9.041 1.00 0.00 C ATOM 553 CD2 LEU C 365 15.975 3.517 -8.784 1.00 0.00 C ATOM 0 H LEU C 365 11.608 1.652 -9.419 1.00 0.00 H new ATOM 0 HA LEU C 365 13.205 3.113 -7.579 1.00 0.00 H new ATOM 0 HB2 LEU C 365 13.666 0.953 -9.060 1.00 0.00 H new ATOM 0 HB3 LEU C 365 14.155 2.108 -10.284 1.00 0.00 H new ATOM 0 HG LEU C 365 15.272 1.993 -7.442 1.00 0.00 H new ATOM 0 HD11 LEU C 365 17.340 1.177 -8.548 1.00 0.00 H new ATOM 0 HD12 LEU C 365 15.977 0.070 -8.833 1.00 0.00 H new ATOM 0 HD13 LEU C 365 16.501 1.186 -10.117 1.00 0.00 H new ATOM 0 HD21 LEU C 365 16.941 3.617 -8.288 1.00 0.00 H new ATOM 0 HD22 LEU C 365 16.102 3.658 -9.857 1.00 0.00 H new ATOM 0 HD23 LEU C 365 15.289 4.271 -8.397 1.00 0.00 H new ATOM 565 N ARG C 366 12.879 4.408 -10.610 1.00 0.00 N ATOM 566 CA ARG C 366 13.028 5.643 -11.362 1.00 0.00 C ATOM 567 C ARG C 366 12.236 6.760 -10.699 1.00 0.00 C ATOM 568 O ARG C 366 12.732 7.876 -10.532 1.00 0.00 O ATOM 569 CB ARG C 366 12.547 5.437 -12.801 1.00 0.00 C ATOM 570 CG ARG C 366 13.021 6.600 -13.668 1.00 0.00 C ATOM 571 CD ARG C 366 12.528 6.398 -15.104 1.00 0.00 C ATOM 572 NE ARG C 366 13.168 5.232 -15.704 1.00 0.00 N ATOM 573 CZ ARG C 366 12.856 4.834 -16.933 1.00 0.00 C ATOM 574 NH1 ARG C 366 11.963 5.490 -17.626 1.00 0.00 N ATOM 575 NH2 ARG C 366 13.441 3.788 -17.449 1.00 0.00 N ATOM 0 H ARG C 366 12.501 3.626 -11.145 1.00 0.00 H new ATOM 0 HA ARG C 366 14.081 5.924 -11.377 1.00 0.00 H new ATOM 0 HB2 ARG C 366 12.933 4.496 -13.193 1.00 0.00 H new ATOM 0 HB3 ARG C 366 11.459 5.371 -12.826 1.00 0.00 H new ATOM 0 HG2 ARG C 366 12.642 7.542 -13.271 1.00 0.00 H new ATOM 0 HG3 ARG C 366 14.109 6.661 -13.651 1.00 0.00 H new ATOM 0 HD2 ARG C 366 11.446 6.269 -15.109 1.00 0.00 H new ATOM 0 HD3 ARG C 366 12.746 7.286 -15.698 1.00 0.00 H new ATOM 0 HE ARG C 366 13.867 4.714 -15.171 1.00 0.00 H new ATOM 0 HH11 ARG C 366 11.505 6.308 -17.224 1.00 0.00 H new ATOM 0 HH12 ARG C 366 11.724 5.184 -18.569 1.00 0.00 H new ATOM 0 HH21 ARG C 366 14.138 3.275 -16.909 1.00 0.00 H new ATOM 0 HH22 ARG C 366 13.201 3.483 -18.392 1.00 0.00 H new ATOM 589 N SER C 367 11.006 6.452 -10.329 1.00 0.00 N ATOM 590 CA SER C 367 10.151 7.435 -9.683 1.00 0.00 C ATOM 591 C SER C 367 10.854 8.004 -8.458 1.00 0.00 C ATOM 592 O SER C 367 10.799 9.210 -8.197 1.00 0.00 O ATOM 593 CB SER C 367 8.828 6.790 -9.267 1.00 0.00 C ATOM 594 OG SER C 367 8.157 7.641 -8.347 1.00 0.00 O ATOM 0 H SER C 367 10.578 5.536 -10.463 1.00 0.00 H new ATOM 0 HA SER C 367 9.945 8.241 -10.387 1.00 0.00 H new ATOM 0 HB2 SER C 367 8.203 6.619 -10.143 1.00 0.00 H new ATOM 0 HB3 SER C 367 9.012 5.817 -8.812 1.00 0.00 H new ATOM 0 HG SER C 367 7.308 7.230 -8.080 1.00 0.00 H new ATOM 600 N TRP C 368 11.521 7.133 -7.713 1.00 0.00 N ATOM 601 CA TRP C 368 12.242 7.562 -6.525 1.00 0.00 C ATOM 602 C TRP C 368 13.370 8.519 -6.902 1.00 0.00 C ATOM 603 O TRP C 368 13.622 9.505 -6.211 1.00 0.00 O ATOM 604 CB TRP C 368 12.812 6.342 -5.780 1.00 0.00 C ATOM 605 CG TRP C 368 13.026 6.685 -4.337 1.00 0.00 C ATOM 606 CD1 TRP C 368 14.227 6.907 -3.756 1.00 0.00 C ATOM 607 CD2 TRP C 368 12.028 6.855 -3.292 1.00 0.00 C ATOM 608 NE1 TRP C 368 14.030 7.202 -2.420 1.00 0.00 N ATOM 609 CE2 TRP C 368 12.691 7.180 -2.085 1.00 0.00 C ATOM 610 CE3 TRP C 368 10.625 6.758 -3.272 1.00 0.00 C ATOM 611 CZ2 TRP C 368 11.988 7.401 -0.902 1.00 0.00 C ATOM 612 CZ3 TRP C 368 9.913 6.980 -2.083 1.00 0.00 C ATOM 613 CH2 TRP C 368 10.594 7.300 -0.899 1.00 0.00 C ATOM 0 H TRP C 368 11.577 6.134 -7.909 1.00 0.00 H new ATOM 0 HA TRP C 368 11.547 8.084 -5.868 1.00 0.00 H new ATOM 0 HB2 TRP C 368 12.126 5.499 -5.865 1.00 0.00 H new ATOM 0 HB3 TRP C 368 13.754 6.034 -6.234 1.00 0.00 H new ATOM 0 HD1 TRP C 368 15.184 6.861 -4.255 1.00 0.00 H new ATOM 0 HE1 TRP C 368 14.782 7.410 -1.763 1.00 0.00 H new ATOM 0 HE3 TRP C 368 10.092 6.511 -4.178 1.00 0.00 H new ATOM 0 HZ2 TRP C 368 12.517 7.649 0.006 1.00 0.00 H new ATOM 0 HZ3 TRP C 368 8.836 6.904 -2.080 1.00 0.00 H new ATOM 0 HH2 TRP C 368 10.042 7.468 0.014 1.00 0.00 H new ATOM 624 N LEU C 369 14.051 8.211 -8.002 1.00 0.00 N ATOM 625 CA LEU C 369 15.157 9.045 -8.457 1.00 0.00 C ATOM 626 C LEU C 369 14.666 10.450 -8.779 1.00 0.00 C ATOM 627 O LEU C 369 15.369 11.435 -8.548 1.00 0.00 O ATOM 628 CB LEU C 369 15.811 8.427 -9.698 1.00 0.00 C ATOM 629 CG LEU C 369 16.456 7.074 -9.343 1.00 0.00 C ATOM 630 CD1 LEU C 369 17.033 6.445 -10.620 1.00 0.00 C ATOM 631 CD2 LEU C 369 17.575 7.262 -8.295 1.00 0.00 C ATOM 0 H LEU C 369 13.859 7.399 -8.589 1.00 0.00 H new ATOM 0 HA LEU C 369 15.895 9.104 -7.657 1.00 0.00 H new ATOM 0 HB2 LEU C 369 15.065 8.288 -10.480 1.00 0.00 H new ATOM 0 HB3 LEU C 369 16.566 9.105 -10.095 1.00 0.00 H new ATOM 0 HG LEU C 369 15.698 6.417 -8.917 1.00 0.00 H new ATOM 0 HD11 LEU C 369 17.492 5.486 -10.378 1.00 0.00 H new ATOM 0 HD12 LEU C 369 16.233 6.292 -11.344 1.00 0.00 H new ATOM 0 HD13 LEU C 369 17.785 7.110 -11.046 1.00 0.00 H new ATOM 0 HD21 LEU C 369 18.018 6.295 -8.058 1.00 0.00 H new ATOM 0 HD22 LEU C 369 18.342 7.924 -8.697 1.00 0.00 H new ATOM 0 HD23 LEU C 369 17.156 7.701 -7.390 1.00 0.00 H new ATOM 643 N GLU C 370 13.454 10.533 -9.300 1.00 0.00 N ATOM 644 CA GLU C 370 12.870 11.821 -9.639 1.00 0.00 C ATOM 645 C GLU C 370 12.491 12.587 -8.375 1.00 0.00 C ATOM 646 O GLU C 370 12.617 13.809 -8.320 1.00 0.00 O ATOM 647 CB GLU C 370 11.629 11.617 -10.507 1.00 0.00 C ATOM 648 CG GLU C 370 12.038 10.972 -11.832 1.00 0.00 C ATOM 649 CD GLU C 370 12.903 11.934 -12.640 1.00 0.00 C ATOM 650 OE1 GLU C 370 12.479 13.062 -12.833 1.00 0.00 O ATOM 651 OE2 GLU C 370 13.976 11.529 -13.053 1.00 0.00 O ATOM 0 H GLU C 370 12.857 9.729 -9.497 1.00 0.00 H new ATOM 0 HA GLU C 370 13.609 12.401 -10.192 1.00 0.00 H new ATOM 0 HB2 GLU C 370 10.909 10.984 -9.989 1.00 0.00 H new ATOM 0 HB3 GLU C 370 11.139 12.573 -10.691 1.00 0.00 H new ATOM 0 HG2 GLU C 370 12.587 10.050 -11.642 1.00 0.00 H new ATOM 0 HG3 GLU C 370 11.150 10.702 -12.403 1.00 0.00 H new ATOM 658 N GLN C 371 12.018 11.861 -7.363 1.00 0.00 N ATOM 659 CA GLN C 371 11.617 12.491 -6.107 1.00 0.00 C ATOM 660 C GLN C 371 12.828 12.786 -5.228 1.00 0.00 C ATOM 661 O GLN C 371 13.069 13.932 -4.849 1.00 0.00 O ATOM 662 CB GLN C 371 10.647 11.578 -5.351 1.00 0.00 C ATOM 663 CG GLN C 371 9.920 12.369 -4.257 1.00 0.00 C ATOM 664 CD GLN C 371 10.883 12.688 -3.118 1.00 0.00 C ATOM 665 OE1 GLN C 371 11.291 11.789 -2.381 1.00 0.00 O ATOM 666 NE2 GLN C 371 11.280 13.917 -2.933 1.00 0.00 N ATOM 0 H GLN C 371 11.904 10.848 -7.387 1.00 0.00 H new ATOM 0 HA GLN C 371 11.125 13.434 -6.345 1.00 0.00 H new ATOM 0 HB2 GLN C 371 9.922 11.152 -6.044 1.00 0.00 H new ATOM 0 HB3 GLN C 371 11.192 10.745 -4.907 1.00 0.00 H new ATOM 0 HG2 GLN C 371 9.516 13.292 -4.672 1.00 0.00 H new ATOM 0 HG3 GLN C 371 9.076 11.792 -3.880 1.00 0.00 H new ATOM 0 HE21 GLN C 371 10.941 14.660 -3.544 1.00 0.00 H new ATOM 0 HE22 GLN C 371 11.929 14.135 -2.177 1.00 0.00 H new ATOM 675 N ASP C 372 13.585 11.742 -4.904 1.00 0.00 N ATOM 676 CA ASP C 372 14.765 11.895 -4.062 1.00 0.00 C ATOM 677 C ASP C 372 15.765 10.779 -4.333 1.00 0.00 C ATOM 678 O ASP C 372 15.381 9.643 -4.613 1.00 0.00 O ATOM 679 CB ASP C 372 14.361 11.859 -2.588 1.00 0.00 C ATOM 680 CG ASP C 372 15.533 12.294 -1.714 1.00 0.00 C ATOM 681 OD1 ASP C 372 16.622 12.436 -2.245 1.00 0.00 O ATOM 682 OD2 ASP C 372 15.323 12.480 -0.527 1.00 0.00 O ATOM 0 H ASP C 372 13.403 10.786 -5.210 1.00 0.00 H new ATOM 0 HA ASP C 372 15.229 12.854 -4.294 1.00 0.00 H new ATOM 0 HB2 ASP C 372 13.508 12.517 -2.420 1.00 0.00 H new ATOM 0 HB3 ASP C 372 14.046 10.852 -2.313 1.00 0.00 H new ATOM 687 N THR C 373 17.053 11.108 -4.242 1.00 0.00 N ATOM 688 CA THR C 373 18.115 10.128 -4.470 1.00 0.00 C ATOM 689 C THR C 373 18.632 9.596 -3.138 1.00 0.00 C ATOM 690 O THR C 373 19.803 9.770 -2.801 1.00 0.00 O ATOM 691 CB THR C 373 19.264 10.777 -5.242 1.00 0.00 C ATOM 692 OG1 THR C 373 19.580 12.030 -4.652 1.00 0.00 O ATOM 693 CG2 THR C 373 18.852 10.983 -6.700 1.00 0.00 C ATOM 0 H THR C 373 17.386 12.044 -4.012 1.00 0.00 H new ATOM 0 HA THR C 373 17.710 9.300 -5.052 1.00 0.00 H new ATOM 0 HB THR C 373 20.139 10.128 -5.206 1.00 0.00 H new ATOM 0 HG1 THR C 373 19.925 11.887 -3.746 1.00 0.00 H new ATOM 0 HG21 THR C 373 19.673 11.446 -7.248 1.00 0.00 H new ATOM 0 HG22 THR C 373 18.613 10.020 -7.150 1.00 0.00 H new ATOM 0 HG23 THR C 373 17.976 11.631 -6.743 1.00 0.00 H new ATOM 701 N SER C 374 17.752 8.934 -2.388 1.00 0.00 N ATOM 702 CA SER C 374 18.127 8.366 -1.093 1.00 0.00 C ATOM 703 C SER C 374 17.547 6.977 -0.933 1.00 0.00 C ATOM 704 O SER C 374 16.564 6.630 -1.581 1.00 0.00 O ATOM 705 CB SER C 374 17.637 9.266 0.041 1.00 0.00 C ATOM 706 OG SER C 374 16.281 8.959 0.335 1.00 0.00 O ATOM 0 H SER C 374 16.779 8.778 -2.653 1.00 0.00 H new ATOM 0 HA SER C 374 19.214 8.299 -1.050 1.00 0.00 H new ATOM 0 HB2 SER C 374 18.255 9.121 0.927 1.00 0.00 H new ATOM 0 HB3 SER C 374 17.730 10.314 -0.245 1.00 0.00 H new ATOM 0 HG SER C 374 15.966 9.534 1.063 1.00 0.00 H new ATOM 712 N CYS C 375 18.172 6.178 -0.069 1.00 0.00 N ATOM 713 CA CYS C 375 17.711 4.819 0.157 1.00 0.00 C ATOM 714 C CYS C 375 16.450 4.821 1.051 1.00 0.00 C ATOM 715 O CYS C 375 16.520 5.200 2.211 1.00 0.00 O ATOM 716 CB CYS C 375 18.828 3.998 0.816 1.00 0.00 C ATOM 717 SG CYS C 375 18.524 2.249 0.476 1.00 0.00 S ATOM 0 H CYS C 375 18.989 6.449 0.478 1.00 0.00 H new ATOM 0 HA CYS C 375 17.453 4.367 -0.801 1.00 0.00 H new ATOM 0 HB2 CYS C 375 19.800 4.297 0.425 1.00 0.00 H new ATOM 0 HB3 CYS C 375 18.848 4.178 1.891 1.00 0.00 H new ATOM 722 N PRO C 376 15.305 4.420 0.549 1.00 0.00 N ATOM 723 CA PRO C 376 14.035 4.417 1.350 1.00 0.00 C ATOM 724 C PRO C 376 14.178 3.714 2.701 1.00 0.00 C ATOM 725 O PRO C 376 13.455 4.018 3.651 1.00 0.00 O ATOM 726 CB PRO C 376 13.048 3.650 0.457 1.00 0.00 C ATOM 727 CG PRO C 376 13.560 3.822 -0.931 1.00 0.00 C ATOM 728 CD PRO C 376 15.079 3.928 -0.819 1.00 0.00 C ATOM 0 HA PRO C 376 13.720 5.431 1.595 1.00 0.00 H new ATOM 0 HB2 PRO C 376 13.005 2.596 0.733 1.00 0.00 H new ATOM 0 HB3 PRO C 376 12.038 4.047 0.556 1.00 0.00 H new ATOM 0 HG2 PRO C 376 13.275 2.977 -1.558 1.00 0.00 H new ATOM 0 HG3 PRO C 376 13.141 4.717 -1.392 1.00 0.00 H new ATOM 0 HD2 PRO C 376 15.559 2.963 -0.980 1.00 0.00 H new ATOM 0 HD3 PRO C 376 15.486 4.614 -1.562 1.00 0.00 H new ATOM 736 N THR C 377 15.103 2.762 2.773 1.00 0.00 N ATOM 737 CA THR C 377 15.323 1.992 4.005 1.00 0.00 C ATOM 738 C THR C 377 16.590 2.451 4.718 1.00 0.00 C ATOM 739 O THR C 377 16.543 2.888 5.868 1.00 0.00 O ATOM 740 CB THR C 377 15.429 0.495 3.664 1.00 0.00 C ATOM 741 OG1 THR C 377 16.331 -0.134 4.567 1.00 0.00 O ATOM 742 CG2 THR C 377 15.938 0.320 2.228 1.00 0.00 C ATOM 0 H THR C 377 15.714 2.501 1.999 1.00 0.00 H new ATOM 0 HA THR C 377 14.478 2.158 4.673 1.00 0.00 H new ATOM 0 HB THR C 377 14.444 0.037 3.752 1.00 0.00 H new ATOM 0 HG1 THR C 377 16.398 -1.088 4.351 1.00 0.00 H new ATOM 0 HG21 THR C 377 16.010 -0.742 1.994 1.00 0.00 H new ATOM 0 HG22 THR C 377 15.245 0.797 1.536 1.00 0.00 H new ATOM 0 HG23 THR C 377 16.921 0.780 2.132 1.00 0.00 H new ATOM 750 N CYS C 378 17.724 2.339 4.038 1.00 0.00 N ATOM 751 CA CYS C 378 18.996 2.727 4.630 1.00 0.00 C ATOM 752 C CYS C 378 19.075 4.244 4.808 1.00 0.00 C ATOM 753 O CYS C 378 19.840 4.744 5.633 1.00 0.00 O ATOM 754 CB CYS C 378 20.159 2.231 3.748 1.00 0.00 C ATOM 755 SG CYS C 378 19.633 0.758 2.840 1.00 0.00 S ATOM 0 H CYS C 378 17.788 1.985 3.083 1.00 0.00 H new ATOM 0 HA CYS C 378 19.073 2.266 5.615 1.00 0.00 H new ATOM 0 HB2 CYS C 378 20.462 3.013 3.052 1.00 0.00 H new ATOM 0 HB3 CYS C 378 21.027 2.001 4.366 1.00 0.00 H new ATOM 760 N ARG C 379 18.283 4.968 4.026 1.00 0.00 N ATOM 761 CA ARG C 379 18.275 6.423 4.094 1.00 0.00 C ATOM 762 C ARG C 379 19.643 6.965 3.697 1.00 0.00 C ATOM 763 O ARG C 379 20.026 8.069 4.084 1.00 0.00 O ATOM 764 CB ARG C 379 17.917 6.876 5.515 1.00 0.00 C ATOM 765 CG ARG C 379 17.429 8.327 5.490 1.00 0.00 C ATOM 766 CD ARG C 379 16.985 8.738 6.887 1.00 0.00 C ATOM 767 NE ARG C 379 16.570 10.136 6.875 1.00 0.00 N ATOM 768 CZ ARG C 379 15.332 10.486 6.540 1.00 0.00 C ATOM 769 NH1 ARG C 379 14.465 9.570 6.204 1.00 0.00 N ATOM 770 NH2 ARG C 379 14.986 11.744 6.542 1.00 0.00 N ATOM 0 H ARG C 379 17.640 4.572 3.340 1.00 0.00 H new ATOM 0 HA ARG C 379 17.527 6.811 3.403 1.00 0.00 H new ATOM 0 HB2 ARG C 379 17.143 6.230 5.928 1.00 0.00 H new ATOM 0 HB3 ARG C 379 18.787 6.787 6.165 1.00 0.00 H new ATOM 0 HG2 ARG C 379 18.226 8.984 5.142 1.00 0.00 H new ATOM 0 HG3 ARG C 379 16.601 8.431 4.788 1.00 0.00 H new ATOM 0 HD2 ARG C 379 16.161 8.106 7.219 1.00 0.00 H new ATOM 0 HD3 ARG C 379 17.801 8.596 7.596 1.00 0.00 H new ATOM 0 HE ARG C 379 17.243 10.859 7.129 1.00 0.00 H new ATOM 0 HH11 ARG C 379 14.738 8.587 6.199 1.00 0.00 H new ATOM 0 HH12 ARG C 379 13.515 9.837 5.947 1.00 0.00 H new ATOM 0 HH21 ARG C 379 15.665 12.459 6.801 1.00 0.00 H new ATOM 0 HH22 ARG C 379 14.036 12.012 6.285 1.00 0.00 H new ATOM 784 N MET C 380 20.387 6.180 2.918 1.00 0.00 N ATOM 785 CA MET C 380 21.718 6.593 2.475 1.00 0.00 C ATOM 786 C MET C 380 21.700 7.012 1.009 1.00 0.00 C ATOM 787 O MET C 380 21.109 6.338 0.164 1.00 0.00 O ATOM 788 CB MET C 380 22.717 5.454 2.672 1.00 0.00 C ATOM 789 CG MET C 380 24.130 5.961 2.376 1.00 0.00 C ATOM 790 SD MET C 380 25.326 4.644 2.705 1.00 0.00 S ATOM 791 CE MET C 380 25.304 3.900 1.057 1.00 0.00 C ATOM 0 H MET C 380 20.094 5.262 2.583 1.00 0.00 H new ATOM 0 HA MET C 380 22.023 7.449 3.077 1.00 0.00 H new ATOM 0 HB2 MET C 380 22.660 5.078 3.694 1.00 0.00 H new ATOM 0 HB3 MET C 380 22.472 4.622 2.012 1.00 0.00 H new ATOM 0 HG2 MET C 380 24.203 6.281 1.337 1.00 0.00 H new ATOM 0 HG3 MET C 380 24.352 6.831 2.994 1.00 0.00 H new ATOM 0 HE1 MET C 380 25.986 3.050 1.032 1.00 0.00 H new ATOM 0 HE2 MET C 380 24.294 3.562 0.824 1.00 0.00 H new ATOM 0 HE3 MET C 380 25.619 4.639 0.320 1.00 0.00 H new ATOM 801 N SER C 381 22.361 8.129 0.710 1.00 0.00 N ATOM 802 CA SER C 381 22.427 8.626 -0.659 1.00 0.00 C ATOM 803 C SER C 381 23.236 7.670 -1.526 1.00 0.00 C ATOM 804 O SER C 381 24.228 7.098 -1.075 1.00 0.00 O ATOM 805 CB SER C 381 23.069 10.013 -0.688 1.00 0.00 C ATOM 806 OG SER C 381 22.267 10.917 0.060 1.00 0.00 O ATOM 0 H SER C 381 22.855 8.702 1.394 1.00 0.00 H new ATOM 0 HA SER C 381 21.413 8.695 -1.052 1.00 0.00 H new ATOM 0 HB2 SER C 381 24.075 9.970 -0.270 1.00 0.00 H new ATOM 0 HB3 SER C 381 23.166 10.360 -1.717 1.00 0.00 H new ATOM 0 HG SER C 381 22.677 11.807 0.045 1.00 0.00 H new ATOM 812 N LEU C 382 22.805 7.503 -2.774 1.00 0.00 N ATOM 813 CA LEU C 382 23.496 6.615 -3.707 1.00 0.00 C ATOM 814 C LEU C 382 24.543 7.397 -4.493 1.00 0.00 C ATOM 815 O LEU C 382 24.235 8.421 -5.101 1.00 0.00 O ATOM 816 CB LEU C 382 22.484 5.985 -4.687 1.00 0.00 C ATOM 817 CG LEU C 382 21.322 6.976 -4.959 1.00 0.00 C ATOM 818 CD1 LEU C 382 20.814 6.818 -6.397 1.00 0.00 C ATOM 819 CD2 LEU C 382 20.161 6.710 -3.990 1.00 0.00 C ATOM 0 H LEU C 382 21.984 7.968 -3.162 1.00 0.00 H new ATOM 0 HA LEU C 382 23.986 5.825 -3.139 1.00 0.00 H new ATOM 0 HB2 LEU C 382 22.982 5.730 -5.623 1.00 0.00 H new ATOM 0 HB3 LEU C 382 22.092 5.057 -4.271 1.00 0.00 H new ATOM 0 HG LEU C 382 21.697 7.989 -4.813 1.00 0.00 H new ATOM 0 HD11 LEU C 382 19.999 7.519 -6.574 1.00 0.00 H new ATOM 0 HD12 LEU C 382 21.626 7.022 -7.094 1.00 0.00 H new ATOM 0 HD13 LEU C 382 20.455 5.800 -6.546 1.00 0.00 H new ATOM 0 HD21 LEU C 382 19.351 7.412 -4.191 1.00 0.00 H new ATOM 0 HD22 LEU C 382 19.800 5.691 -4.126 1.00 0.00 H new ATOM 0 HD23 LEU C 382 20.507 6.838 -2.964 1.00 0.00 H new ATOM 831 N ASN C 383 25.776 6.902 -4.481 1.00 0.00 N ATOM 832 CA ASN C 383 26.861 7.555 -5.203 1.00 0.00 C ATOM 833 C ASN C 383 27.002 6.964 -6.604 1.00 0.00 C ATOM 834 O ASN C 383 27.499 5.851 -6.771 1.00 0.00 O ATOM 835 CB ASN C 383 28.170 7.369 -4.437 1.00 0.00 C ATOM 836 CG ASN C 383 29.293 8.113 -5.145 1.00 0.00 C ATOM 837 OD1 ASN C 383 30.080 7.508 -5.871 1.00 0.00 O ATOM 838 ND2 ASN C 383 29.416 9.401 -4.976 1.00 0.00 N ATOM 0 H ASN C 383 26.048 6.055 -3.982 1.00 0.00 H new ATOM 0 HA ASN C 383 26.634 8.617 -5.291 1.00 0.00 H new ATOM 0 HB2 ASN C 383 28.061 7.740 -3.418 1.00 0.00 H new ATOM 0 HB3 ASN C 383 28.413 6.309 -4.366 1.00 0.00 H new ATOM 0 HD21 ASN C 383 30.166 9.908 -5.446 1.00 0.00 H new ATOM 0 HD22 ASN C 383 28.762 9.901 -4.373 1.00 0.00 H new ATOM 845 N ILE C 384 26.559 7.719 -7.604 1.00 0.00 N ATOM 846 CA ILE C 384 26.639 7.263 -8.988 1.00 0.00 C ATOM 847 C ILE C 384 28.086 6.951 -9.360 1.00 0.00 C ATOM 848 O ILE C 384 28.971 7.546 -8.769 1.00 0.00 O ATOM 849 CB ILE C 384 26.086 8.339 -9.926 1.00 0.00 C ATOM 850 CG1 ILE C 384 24.595 8.540 -9.646 1.00 0.00 C ATOM 851 CG2 ILE C 384 26.278 7.897 -11.380 1.00 0.00 C ATOM 852 CD1 ILE C 384 24.097 9.778 -10.393 1.00 0.00 C ATOM 0 H ILE C 384 26.144 8.643 -7.484 1.00 0.00 H new ATOM 0 HA ILE C 384 26.044 6.356 -9.091 1.00 0.00 H new ATOM 0 HB ILE C 384 26.617 9.276 -9.759 1.00 0.00 H new ATOM 0 HG12 ILE C 384 24.033 7.661 -9.962 1.00 0.00 H new ATOM 0 HG13 ILE C 384 24.428 8.657 -8.575 1.00 0.00 H new ATOM 0 HG21 ILE C 384 25.884 8.663 -12.048 1.00 0.00 H new ATOM 0 HG22 ILE C 384 27.340 7.753 -11.579 1.00 0.00 H new ATOM 0 HG23 ILE C 384 25.747 6.960 -11.549 1.00 0.00 H new ATOM 0 HD11 ILE C 384 23.035 9.921 -10.193 1.00 0.00 H new ATOM 0 HD12 ILE C 384 24.651 10.654 -10.055 1.00 0.00 H new ATOM 0 HD13 ILE C 384 24.250 9.643 -11.464 1.00 0.00 H new TER 864 ILE C 384 HETATM 865 ZN ZN C 900 7.309 -1.605 -7.421 1.00 0.00 ZN HETATM 866 ZN ZN C 901 19.247 0.196 0.557 1.00 0.00 ZN