USER MOD reduce.3.24.130724 H: found=0, std=0, add=559, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 551 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 345 MET CE :methyl -153:sc= -2.62! (180deg=-5.68!) USER MOD Set 1.2: B 386 LYS NZ :NH3+ -177:sc= -3.75 (180deg=-3.86) USER MOD Set 1.3: B 387 GLN : amide:sc= -3.6! C(o=-10!,f=-16!) USER MOD Set 2.1: A 346 CYS SG : rot -129:sc= -0.716 USER MOD Set 2.2: A 349 CYS SG : rot -167:sc= 0.834 USER MOD Set 2.3: A 373 CYS SG : rot 132:sc= 0.699 USER MOD Set 2.4: A 376 CYS SG : rot 124:sc= -7.04! USER MOD Set 3.1: A 332 HIS : no HD1:sc= -2.38! K(o=-3!,f=-4.9) USER MOD Set 3.2: A 351 MET CE :methyl 156:sc= -0.585 (180deg=-1.19) USER MOD Set 4.1: A 331 CYS SG : rot -40:sc= -0.819 USER MOD Set 4.2: A 334 CYS SG : rot -90:sc= 0.0391 USER MOD Set 4.3: A 343 GLN : amide:sc= -2.1 K(o=-13,f=-4.8!) USER MOD Set 4.4: A 354 HIS : no HD1:sc= -5.7! C(o=-13!,f=-4.8!) USER MOD Set 4.5: A 357 CYS SG : rot -134:sc= -4.65! USER MOD Set 5.1: A 315 CYS SG : rot 177:sc= 0.73 USER MOD Set 5.2: A 318 CYS SG : rot 166:sc= 0.117 USER MOD Set 5.3: A 326 CYS SG : rot -85:sc= -4.27! USER MOD Set 5.4: A 329 CYS SG : rot 158:sc= 0.211 USER MOD Single : A 316 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 317 HIS : no HD1:sc= 0 X(o=0,f=-0.0062) USER MOD Single : A 319 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 323 ASN : amide:sc= -0.304 X(o=-0.3,f=0) USER MOD Single : A 338 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 342 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 356 TYR OH : rot 180:sc= 0 USER MOD Single : A 363 SER OG : rot 63:sc= 0.947 USER MOD Single : A 364 SER OG : rot 75:sc= 1.24 USER MOD Single : A 367 SER OG : rot 180:sc= 0 USER MOD Single : A 372 TYR OH : rot 149:sc= 0.511 USER MOD Single : A 378 ASN : amide:sc= -0.0917 K(o=-0.092,f=-2.2!) USER MOD Single : B 385 THR OG1 : rot 180:sc= -1.12! USER MOD Single : B 388 THR OG1 : rot -79:sc= 0.642 USER MOD Single : B 391 LYS NZ :NH3+ 160:sc= -3.92! (180deg=-4.92!) USER MOD Single : B 392 SER OG : rot -100:sc= -0.334 USER MOD ----------------------------------------------------------------- ATOM 46 N CYS A 315 -13.093 10.469 -9.052 1.00 0.00 N ATOM 47 CA CYS A 315 -12.561 9.544 -10.093 1.00 0.00 C ATOM 48 C CYS A 315 -13.492 9.548 -11.306 1.00 0.00 C ATOM 49 O CYS A 315 -14.609 10.022 -11.242 1.00 0.00 O ATOM 50 CB CYS A 315 -12.488 8.128 -9.527 1.00 0.00 C ATOM 51 SG CYS A 315 -10.884 7.864 -8.733 1.00 0.00 S ATOM 0 HA CYS A 315 -11.566 9.874 -10.392 1.00 0.00 H new ATOM 0 HB2 CYS A 315 -13.290 7.974 -8.806 1.00 0.00 H new ATOM 0 HB3 CYS A 315 -12.633 7.400 -10.325 1.00 0.00 H new ATOM 0 HG CYS A 315 -10.854 6.680 -8.198 1.00 0.00 H new ATOM 56 N LYS A 316 -13.042 9.022 -12.412 1.00 0.00 N ATOM 57 CA LYS A 316 -13.899 8.997 -13.630 1.00 0.00 C ATOM 58 C LYS A 316 -14.703 7.693 -13.685 1.00 0.00 C ATOM 59 O LYS A 316 -15.767 7.581 -13.108 1.00 0.00 O ATOM 60 CB LYS A 316 -13.007 9.104 -14.870 1.00 0.00 C ATOM 61 CG LYS A 316 -13.873 9.110 -16.130 1.00 0.00 C ATOM 62 CD LYS A 316 -12.975 9.180 -17.366 1.00 0.00 C ATOM 63 CE LYS A 316 -13.840 9.324 -18.618 1.00 0.00 C ATOM 64 NZ LYS A 316 -13.716 8.095 -19.452 1.00 0.00 N ATOM 0 H LYS A 316 -12.117 8.608 -12.524 1.00 0.00 H new ATOM 0 HA LYS A 316 -14.594 9.836 -13.599 1.00 0.00 H new ATOM 0 HB2 LYS A 316 -12.410 10.015 -14.823 1.00 0.00 H new ATOM 0 HB3 LYS A 316 -12.309 8.267 -14.901 1.00 0.00 H new ATOM 0 HG2 LYS A 316 -14.489 8.211 -16.165 1.00 0.00 H new ATOM 0 HG3 LYS A 316 -14.553 9.962 -16.113 1.00 0.00 H new ATOM 0 HD2 LYS A 316 -12.291 10.025 -17.284 1.00 0.00 H new ATOM 0 HD3 LYS A 316 -12.363 8.281 -17.435 1.00 0.00 H new ATOM 0 HE2 LYS A 316 -14.881 9.482 -18.337 1.00 0.00 H new ATOM 0 HE3 LYS A 316 -13.528 10.198 -19.190 1.00 0.00 H new ATOM 0 HZ1 LYS A 316 -14.304 8.193 -20.304 1.00 0.00 H new ATOM 0 HZ2 LYS A 316 -12.723 7.963 -19.731 1.00 0.00 H new ATOM 0 HZ3 LYS A 316 -14.034 7.270 -18.904 1.00 0.00 H new ATOM 78 N HIS A 317 -14.206 6.710 -14.387 1.00 0.00 N ATOM 79 CA HIS A 317 -14.936 5.415 -14.498 1.00 0.00 C ATOM 80 C HIS A 317 -15.073 4.763 -13.121 1.00 0.00 C ATOM 81 O HIS A 317 -16.126 4.280 -12.758 1.00 0.00 O ATOM 82 CB HIS A 317 -14.164 4.476 -15.428 1.00 0.00 C ATOM 83 CG HIS A 317 -14.931 3.193 -15.594 1.00 0.00 C ATOM 84 ND1 HIS A 317 -16.163 3.144 -16.230 1.00 0.00 N ATOM 85 CD2 HIS A 317 -14.654 1.903 -15.212 1.00 0.00 C ATOM 86 CE1 HIS A 317 -16.580 1.864 -16.211 1.00 0.00 C ATOM 87 NE2 HIS A 317 -15.696 1.071 -15.603 1.00 0.00 N ATOM 0 H HIS A 317 -13.320 6.749 -14.891 1.00 0.00 H new ATOM 0 HA HIS A 317 -15.931 5.603 -14.902 1.00 0.00 H new ATOM 0 HB2 HIS A 317 -14.013 4.950 -16.398 1.00 0.00 H new ATOM 0 HB3 HIS A 317 -13.176 4.271 -15.017 1.00 0.00 H new ATOM 0 HD2 HIS A 317 -13.764 1.585 -14.689 1.00 0.00 H new ATOM 0 HE1 HIS A 317 -17.513 1.522 -16.635 1.00 0.00 H new ATOM 0 HE2 HIS A 317 -15.770 0.064 -15.456 1.00 0.00 H new ATOM 96 N CYS A 318 -14.018 4.739 -12.353 1.00 0.00 N ATOM 97 CA CYS A 318 -14.104 4.108 -11.008 1.00 0.00 C ATOM 98 C CYS A 318 -14.732 5.092 -10.023 1.00 0.00 C ATOM 99 O CYS A 318 -14.066 5.933 -9.457 1.00 0.00 O ATOM 100 CB CYS A 318 -12.704 3.721 -10.528 1.00 0.00 C ATOM 101 SG CYS A 318 -11.526 5.018 -10.978 1.00 0.00 S ATOM 0 H CYS A 318 -13.107 5.126 -12.597 1.00 0.00 H new ATOM 0 HA CYS A 318 -14.722 3.212 -11.068 1.00 0.00 H new ATOM 0 HB2 CYS A 318 -12.706 3.577 -9.448 1.00 0.00 H new ATOM 0 HB3 CYS A 318 -12.405 2.773 -10.975 1.00 0.00 H new ATOM 0 HG CYS A 318 -10.415 4.841 -10.326 1.00 0.00 H new ATOM 106 N LYS A 319 -16.012 4.992 -9.811 1.00 0.00 N ATOM 107 CA LYS A 319 -16.685 5.920 -8.866 1.00 0.00 C ATOM 108 C LYS A 319 -15.954 5.879 -7.522 1.00 0.00 C ATOM 109 O LYS A 319 -15.968 6.832 -6.769 1.00 0.00 O ATOM 110 CB LYS A 319 -18.137 5.477 -8.675 1.00 0.00 C ATOM 111 CG LYS A 319 -18.828 5.351 -10.039 1.00 0.00 C ATOM 112 CD LYS A 319 -18.891 6.718 -10.725 1.00 0.00 C ATOM 113 CE LYS A 319 -19.888 6.660 -11.885 1.00 0.00 C ATOM 114 NZ LYS A 319 -21.192 7.235 -11.449 1.00 0.00 N ATOM 0 H LYS A 319 -16.623 4.305 -10.253 1.00 0.00 H new ATOM 0 HA LYS A 319 -16.665 6.935 -9.262 1.00 0.00 H new ATOM 0 HB2 LYS A 319 -18.169 4.521 -8.152 1.00 0.00 H new ATOM 0 HB3 LYS A 319 -18.668 6.198 -8.054 1.00 0.00 H new ATOM 0 HG2 LYS A 319 -18.284 4.645 -10.667 1.00 0.00 H new ATOM 0 HG3 LYS A 319 -19.835 4.953 -9.910 1.00 0.00 H new ATOM 0 HD2 LYS A 319 -19.193 7.483 -10.009 1.00 0.00 H new ATOM 0 HD3 LYS A 319 -17.904 6.998 -11.093 1.00 0.00 H new ATOM 0 HE2 LYS A 319 -19.501 7.216 -12.739 1.00 0.00 H new ATOM 0 HE3 LYS A 319 -20.024 5.629 -12.210 1.00 0.00 H new ATOM 0 HZ1 LYS A 319 -21.870 7.196 -12.237 1.00 0.00 H new ATOM 0 HZ2 LYS A 319 -21.562 6.687 -10.646 1.00 0.00 H new ATOM 0 HZ3 LYS A 319 -21.056 8.224 -11.159 1.00 0.00 H new ATOM 128 N ASP A 320 -15.310 4.784 -7.221 1.00 0.00 N ATOM 129 CA ASP A 320 -14.567 4.678 -5.933 1.00 0.00 C ATOM 130 C ASP A 320 -15.548 4.742 -4.763 1.00 0.00 C ATOM 131 O ASP A 320 -15.320 5.429 -3.787 1.00 0.00 O ATOM 132 CB ASP A 320 -13.574 5.839 -5.821 1.00 0.00 C ATOM 133 CG ASP A 320 -12.467 5.479 -4.827 1.00 0.00 C ATOM 134 OD1 ASP A 320 -12.438 4.341 -4.386 1.00 0.00 O ATOM 135 OD2 ASP A 320 -11.667 6.348 -4.522 1.00 0.00 O ATOM 0 H ASP A 320 -15.266 3.955 -7.814 1.00 0.00 H new ATOM 0 HA ASP A 320 -14.031 3.729 -5.905 1.00 0.00 H new ATOM 0 HB2 ASP A 320 -13.142 6.056 -6.798 1.00 0.00 H new ATOM 0 HB3 ASP A 320 -14.090 6.741 -5.493 1.00 0.00 H new ATOM 140 N ASP A 321 -16.635 4.027 -4.846 1.00 0.00 N ATOM 141 CA ASP A 321 -17.620 4.046 -3.730 1.00 0.00 C ATOM 142 C ASP A 321 -16.963 3.456 -2.481 1.00 0.00 C ATOM 143 O ASP A 321 -16.047 2.663 -2.567 1.00 0.00 O ATOM 144 CB ASP A 321 -18.847 3.215 -4.110 1.00 0.00 C ATOM 145 CG ASP A 321 -19.965 3.460 -3.094 1.00 0.00 C ATOM 146 OD1 ASP A 321 -19.772 4.289 -2.220 1.00 0.00 O ATOM 147 OD2 ASP A 321 -20.994 2.816 -3.208 1.00 0.00 O ATOM 0 H ASP A 321 -16.883 3.432 -5.636 1.00 0.00 H new ATOM 0 HA ASP A 321 -17.935 5.071 -3.532 1.00 0.00 H new ATOM 0 HB2 ASP A 321 -19.185 3.484 -5.111 1.00 0.00 H new ATOM 0 HB3 ASP A 321 -18.589 2.156 -4.134 1.00 0.00 H new ATOM 152 N VAL A 322 -17.423 3.831 -1.320 1.00 0.00 N ATOM 153 CA VAL A 322 -16.821 3.283 -0.074 1.00 0.00 C ATOM 154 C VAL A 322 -17.008 1.771 -0.072 1.00 0.00 C ATOM 155 O VAL A 322 -16.179 1.027 0.413 1.00 0.00 O ATOM 156 CB VAL A 322 -17.518 3.891 1.145 1.00 0.00 C ATOM 157 CG1 VAL A 322 -17.036 3.185 2.413 1.00 0.00 C ATOM 158 CG2 VAL A 322 -17.180 5.381 1.233 1.00 0.00 C ATOM 0 H VAL A 322 -18.188 4.491 -1.181 1.00 0.00 H new ATOM 0 HA VAL A 322 -15.760 3.528 -0.032 1.00 0.00 H new ATOM 0 HB VAL A 322 -18.596 3.766 1.047 1.00 0.00 H new ATOM 0 HG11 VAL A 322 -17.532 3.618 3.282 1.00 0.00 H new ATOM 0 HG12 VAL A 322 -17.274 2.123 2.351 1.00 0.00 H new ATOM 0 HG13 VAL A 322 -15.958 3.310 2.512 1.00 0.00 H new ATOM 0 HG21 VAL A 322 -17.676 5.816 2.101 1.00 0.00 H new ATOM 0 HG22 VAL A 322 -16.101 5.504 1.332 1.00 0.00 H new ATOM 0 HG23 VAL A 322 -17.522 5.886 0.329 1.00 0.00 H new ATOM 168 N ASN A 323 -18.100 1.319 -0.615 1.00 0.00 N ATOM 169 CA ASN A 323 -18.367 -0.141 -0.657 1.00 0.00 C ATOM 170 C ASN A 323 -17.638 -0.764 -1.851 1.00 0.00 C ATOM 171 O ASN A 323 -17.728 -1.951 -2.091 1.00 0.00 O ATOM 172 CB ASN A 323 -19.872 -0.359 -0.806 1.00 0.00 C ATOM 173 CG ASN A 323 -20.602 0.305 0.363 1.00 0.00 C ATOM 174 OD1 ASN A 323 -21.604 0.965 0.172 1.00 0.00 O ATOM 175 ND2 ASN A 323 -20.141 0.156 1.574 1.00 0.00 N ATOM 0 H ASN A 323 -18.824 1.903 -1.034 1.00 0.00 H new ATOM 0 HA ASN A 323 -18.011 -0.610 0.260 1.00 0.00 H new ATOM 0 HB2 ASN A 323 -20.219 0.060 -1.750 1.00 0.00 H new ATOM 0 HB3 ASN A 323 -20.095 -1.426 -0.829 1.00 0.00 H new ATOM 0 HD21 ASN A 323 -20.622 0.593 2.360 1.00 0.00 H new ATOM 0 HD22 ASN A 323 -19.300 -0.398 1.735 1.00 0.00 H new ATOM 182 N ARG A 324 -16.915 0.027 -2.602 1.00 0.00 N ATOM 183 CA ARG A 324 -16.179 -0.523 -3.779 1.00 0.00 C ATOM 184 C ARG A 324 -14.729 -0.035 -3.756 1.00 0.00 C ATOM 185 O ARG A 324 -14.434 1.042 -3.276 1.00 0.00 O ATOM 186 CB ARG A 324 -16.850 -0.052 -5.070 1.00 0.00 C ATOM 187 CG ARG A 324 -18.274 -0.606 -5.140 1.00 0.00 C ATOM 188 CD ARG A 324 -18.901 -0.233 -6.485 1.00 0.00 C ATOM 189 NE ARG A 324 -20.347 -0.593 -6.475 1.00 0.00 N ATOM 190 CZ ARG A 324 -20.968 -0.829 -7.598 1.00 0.00 C ATOM 191 NH1 ARG A 324 -20.323 -0.748 -8.730 1.00 0.00 N ATOM 192 NH2 ARG A 324 -22.235 -1.145 -7.589 1.00 0.00 N ATOM 0 H ARG A 324 -16.803 1.029 -2.451 1.00 0.00 H new ATOM 0 HA ARG A 324 -16.196 -1.612 -3.734 1.00 0.00 H new ATOM 0 HB2 ARG A 324 -16.871 1.037 -5.104 1.00 0.00 H new ATOM 0 HB3 ARG A 324 -16.276 -0.387 -5.934 1.00 0.00 H new ATOM 0 HG2 ARG A 324 -18.260 -1.689 -5.021 1.00 0.00 H new ATOM 0 HG3 ARG A 324 -18.873 -0.203 -4.323 1.00 0.00 H new ATOM 0 HD2 ARG A 324 -18.782 0.835 -6.670 1.00 0.00 H new ATOM 0 HD3 ARG A 324 -18.391 -0.756 -7.294 1.00 0.00 H new ATOM 0 HE ARG A 324 -20.851 -0.655 -5.590 1.00 0.00 H new ATOM 0 HH11 ARG A 324 -19.334 -0.500 -8.737 1.00 0.00 H new ATOM 0 HH12 ARG A 324 -20.808 -0.933 -9.608 1.00 0.00 H new ATOM 0 HH21 ARG A 324 -22.739 -1.207 -6.704 1.00 0.00 H new ATOM 0 HH22 ARG A 324 -22.721 -1.330 -8.467 1.00 0.00 H new ATOM 206 N LEU A 325 -13.824 -0.817 -4.276 1.00 0.00 N ATOM 207 CA LEU A 325 -12.393 -0.398 -4.291 1.00 0.00 C ATOM 208 C LEU A 325 -12.026 0.099 -5.692 1.00 0.00 C ATOM 209 O LEU A 325 -12.434 -0.465 -6.688 1.00 0.00 O ATOM 210 CB LEU A 325 -11.504 -1.589 -3.925 1.00 0.00 C ATOM 211 CG LEU A 325 -10.056 -1.115 -3.765 1.00 0.00 C ATOM 212 CD1 LEU A 325 -9.867 -0.471 -2.389 1.00 0.00 C ATOM 213 CD2 LEU A 325 -9.111 -2.312 -3.899 1.00 0.00 C ATOM 0 H LEU A 325 -14.013 -1.729 -4.692 1.00 0.00 H new ATOM 0 HA LEU A 325 -12.241 0.402 -3.566 1.00 0.00 H new ATOM 0 HB2 LEU A 325 -11.853 -2.046 -2.999 1.00 0.00 H new ATOM 0 HB3 LEU A 325 -11.564 -2.353 -4.700 1.00 0.00 H new ATOM 0 HG LEU A 325 -9.832 -0.381 -4.539 1.00 0.00 H new ATOM 0 HD11 LEU A 325 -8.835 -0.136 -2.282 1.00 0.00 H new ATOM 0 HD12 LEU A 325 -10.537 0.383 -2.292 1.00 0.00 H new ATOM 0 HD13 LEU A 325 -10.094 -1.201 -1.612 1.00 0.00 H new ATOM 0 HD21 LEU A 325 -8.080 -1.976 -3.785 1.00 0.00 H new ATOM 0 HD22 LEU A 325 -9.341 -3.045 -3.126 1.00 0.00 H new ATOM 0 HD23 LEU A 325 -9.238 -2.768 -4.881 1.00 0.00 H new ATOM 225 N CYS A 326 -11.258 1.151 -5.777 1.00 0.00 N ATOM 226 CA CYS A 326 -10.865 1.682 -7.113 1.00 0.00 C ATOM 227 C CYS A 326 -9.948 0.679 -7.810 1.00 0.00 C ATOM 228 O CYS A 326 -8.741 0.781 -7.740 1.00 0.00 O ATOM 229 CB CYS A 326 -10.106 2.996 -6.941 1.00 0.00 C ATOM 230 SG CYS A 326 -11.186 4.391 -7.334 1.00 0.00 S ATOM 0 H CYS A 326 -10.886 1.666 -4.979 1.00 0.00 H new ATOM 0 HA CYS A 326 -11.763 1.846 -7.708 1.00 0.00 H new ATOM 0 HB2 CYS A 326 -9.743 3.084 -5.917 1.00 0.00 H new ATOM 0 HB3 CYS A 326 -9.232 3.008 -7.592 1.00 0.00 H new ATOM 0 HG CYS A 326 -11.165 4.608 -8.616 1.00 0.00 H new ATOM 235 N ARG A 327 -10.501 -0.282 -8.492 1.00 0.00 N ATOM 236 CA ARG A 327 -9.640 -1.273 -9.192 1.00 0.00 C ATOM 237 C ARG A 327 -8.664 -0.527 -10.103 1.00 0.00 C ATOM 238 O ARG A 327 -7.548 -0.952 -10.316 1.00 0.00 O ATOM 239 CB ARG A 327 -10.512 -2.209 -10.030 1.00 0.00 C ATOM 240 CG ARG A 327 -11.433 -3.012 -9.111 1.00 0.00 C ATOM 241 CD ARG A 327 -12.219 -4.032 -9.938 1.00 0.00 C ATOM 242 NE ARG A 327 -13.266 -4.665 -9.086 1.00 0.00 N ATOM 243 CZ ARG A 327 -14.130 -5.486 -9.618 1.00 0.00 C ATOM 244 NH1 ARG A 327 -14.077 -5.752 -10.895 1.00 0.00 N ATOM 245 NH2 ARG A 327 -15.048 -6.040 -8.873 1.00 0.00 N ATOM 0 H ARG A 327 -11.506 -0.424 -8.595 1.00 0.00 H new ATOM 0 HA ARG A 327 -9.085 -1.861 -8.461 1.00 0.00 H new ATOM 0 HB2 ARG A 327 -11.104 -1.632 -10.741 1.00 0.00 H new ATOM 0 HB3 ARG A 327 -9.884 -2.884 -10.612 1.00 0.00 H new ATOM 0 HG2 ARG A 327 -10.846 -3.522 -8.347 1.00 0.00 H new ATOM 0 HG3 ARG A 327 -12.119 -2.343 -8.592 1.00 0.00 H new ATOM 0 HD2 ARG A 327 -12.680 -3.542 -10.795 1.00 0.00 H new ATOM 0 HD3 ARG A 327 -11.545 -4.794 -10.331 1.00 0.00 H new ATOM 0 HE ARG A 327 -13.307 -4.457 -8.088 1.00 0.00 H new ATOM 0 HH11 ARG A 327 -13.360 -5.318 -11.477 1.00 0.00 H new ATOM 0 HH12 ARG A 327 -14.752 -6.394 -11.311 1.00 0.00 H new ATOM 0 HH21 ARG A 327 -15.090 -5.831 -7.875 1.00 0.00 H new ATOM 0 HH22 ARG A 327 -15.723 -6.682 -9.289 1.00 0.00 H new ATOM 259 N VAL A 328 -9.081 0.586 -10.640 1.00 0.00 N ATOM 260 CA VAL A 328 -8.184 1.368 -11.537 1.00 0.00 C ATOM 261 C VAL A 328 -7.099 2.065 -10.719 1.00 0.00 C ATOM 262 O VAL A 328 -5.932 2.027 -11.057 1.00 0.00 O ATOM 263 CB VAL A 328 -9.006 2.421 -12.281 1.00 0.00 C ATOM 264 CG1 VAL A 328 -8.088 3.565 -12.714 1.00 0.00 C ATOM 265 CG2 VAL A 328 -9.649 1.787 -13.515 1.00 0.00 C ATOM 0 H VAL A 328 -10.007 0.989 -10.496 1.00 0.00 H new ATOM 0 HA VAL A 328 -7.715 0.689 -12.249 1.00 0.00 H new ATOM 0 HB VAL A 328 -9.786 2.807 -11.625 1.00 0.00 H new ATOM 0 HG11 VAL A 328 -8.671 4.318 -13.245 1.00 0.00 H new ATOM 0 HG12 VAL A 328 -7.628 4.016 -11.834 1.00 0.00 H new ATOM 0 HG13 VAL A 328 -7.310 3.178 -13.372 1.00 0.00 H new ATOM 0 HG21 VAL A 328 -10.235 2.537 -14.046 1.00 0.00 H new ATOM 0 HG22 VAL A 328 -8.871 1.402 -14.174 1.00 0.00 H new ATOM 0 HG23 VAL A 328 -10.300 0.969 -13.206 1.00 0.00 H new ATOM 275 N CYS A 329 -7.473 2.714 -9.654 1.00 0.00 N ATOM 276 CA CYS A 329 -6.463 3.426 -8.824 1.00 0.00 C ATOM 277 C CYS A 329 -6.004 2.527 -7.674 1.00 0.00 C ATOM 278 O CYS A 329 -5.277 2.955 -6.798 1.00 0.00 O ATOM 279 CB CYS A 329 -7.069 4.721 -8.273 1.00 0.00 C ATOM 280 SG CYS A 329 -8.125 5.468 -9.541 1.00 0.00 S ATOM 0 H CYS A 329 -8.435 2.783 -9.322 1.00 0.00 H new ATOM 0 HA CYS A 329 -5.599 3.672 -9.442 1.00 0.00 H new ATOM 0 HB2 CYS A 329 -7.650 4.512 -7.375 1.00 0.00 H new ATOM 0 HB3 CYS A 329 -6.278 5.414 -7.986 1.00 0.00 H new ATOM 0 HG CYS A 329 -8.980 6.269 -8.977 1.00 0.00 H new ATOM 285 N ALA A 330 -6.413 1.283 -7.674 1.00 0.00 N ATOM 286 CA ALA A 330 -5.988 0.354 -6.582 1.00 0.00 C ATOM 287 C ALA A 330 -5.055 -0.716 -7.160 1.00 0.00 C ATOM 288 O ALA A 330 -3.861 -0.513 -7.267 1.00 0.00 O ATOM 289 CB ALA A 330 -7.220 -0.313 -5.959 1.00 0.00 C ATOM 0 H ALA A 330 -7.022 0.871 -8.381 1.00 0.00 H new ATOM 0 HA ALA A 330 -5.461 0.917 -5.811 1.00 0.00 H new ATOM 0 HB1 ALA A 330 -6.905 -0.989 -5.164 1.00 0.00 H new ATOM 0 HB2 ALA A 330 -7.878 0.452 -5.546 1.00 0.00 H new ATOM 0 HB3 ALA A 330 -7.754 -0.877 -6.724 1.00 0.00 H new ATOM 295 N CYS A 331 -5.580 -1.851 -7.539 1.00 0.00 N ATOM 296 CA CYS A 331 -4.712 -2.918 -8.111 1.00 0.00 C ATOM 297 C CYS A 331 -4.824 -2.890 -9.636 1.00 0.00 C ATOM 298 O CYS A 331 -5.586 -2.130 -10.197 1.00 0.00 O ATOM 299 CB CYS A 331 -5.164 -4.284 -7.589 1.00 0.00 C ATOM 300 SG CYS A 331 -3.713 -5.260 -7.120 1.00 0.00 S ATOM 0 H CYS A 331 -6.571 -2.084 -7.477 1.00 0.00 H new ATOM 0 HA CYS A 331 -3.677 -2.746 -7.815 1.00 0.00 H new ATOM 0 HB2 CYS A 331 -5.823 -4.157 -6.730 1.00 0.00 H new ATOM 0 HB3 CYS A 331 -5.736 -4.807 -8.355 1.00 0.00 H new ATOM 0 HG CYS A 331 -2.767 -5.078 -7.993 1.00 0.00 H new ATOM 305 N HIS A 332 -4.072 -3.709 -10.316 1.00 0.00 N ATOM 306 CA HIS A 332 -4.145 -3.718 -11.802 1.00 0.00 C ATOM 307 C HIS A 332 -5.595 -3.962 -12.235 1.00 0.00 C ATOM 308 O HIS A 332 -6.076 -3.374 -13.182 1.00 0.00 O ATOM 309 CB HIS A 332 -3.237 -4.821 -12.350 1.00 0.00 C ATOM 310 CG HIS A 332 -3.251 -4.787 -13.854 1.00 0.00 C ATOM 311 ND1 HIS A 332 -3.282 -3.596 -14.567 1.00 0.00 N ATOM 312 CD2 HIS A 332 -3.225 -5.787 -14.795 1.00 0.00 C ATOM 313 CE1 HIS A 332 -3.276 -3.907 -15.877 1.00 0.00 C ATOM 314 NE2 HIS A 332 -3.242 -5.227 -16.067 1.00 0.00 N ATOM 0 H HIS A 332 -3.412 -4.371 -9.908 1.00 0.00 H new ATOM 0 HA HIS A 332 -3.812 -2.758 -12.196 1.00 0.00 H new ATOM 0 HB2 HIS A 332 -2.220 -4.684 -11.983 1.00 0.00 H new ATOM 0 HB3 HIS A 332 -3.576 -5.794 -11.995 1.00 0.00 H new ATOM 0 HD2 HIS A 332 -3.196 -6.845 -14.580 1.00 0.00 H new ATOM 0 HE1 HIS A 332 -3.296 -3.179 -16.674 1.00 0.00 H new ATOM 0 HE2 HIS A 332 -3.231 -5.722 -16.959 1.00 0.00 H new ATOM 323 N LEU A 333 -6.298 -4.816 -11.538 1.00 0.00 N ATOM 324 CA LEU A 333 -7.722 -5.084 -11.901 1.00 0.00 C ATOM 325 C LEU A 333 -8.330 -6.076 -10.907 1.00 0.00 C ATOM 326 O LEU A 333 -9.524 -6.089 -10.681 1.00 0.00 O ATOM 327 CB LEU A 333 -7.808 -5.670 -13.316 1.00 0.00 C ATOM 328 CG LEU A 333 -6.839 -6.850 -13.467 1.00 0.00 C ATOM 329 CD1 LEU A 333 -7.605 -8.163 -13.307 1.00 0.00 C ATOM 330 CD2 LEU A 333 -6.201 -6.809 -14.858 1.00 0.00 C ATOM 0 H LEU A 333 -5.949 -5.339 -10.735 1.00 0.00 H new ATOM 0 HA LEU A 333 -8.274 -4.145 -11.868 1.00 0.00 H new ATOM 0 HB2 LEU A 333 -8.827 -6.000 -13.518 1.00 0.00 H new ATOM 0 HB3 LEU A 333 -7.571 -4.900 -14.050 1.00 0.00 H new ATOM 0 HG LEU A 333 -6.064 -6.782 -12.703 1.00 0.00 H new ATOM 0 HD11 LEU A 333 -6.917 -9.001 -13.414 1.00 0.00 H new ATOM 0 HD12 LEU A 333 -8.067 -8.197 -12.320 1.00 0.00 H new ATOM 0 HD13 LEU A 333 -8.379 -8.229 -14.072 1.00 0.00 H new ATOM 0 HD21 LEU A 333 -5.512 -7.647 -14.967 1.00 0.00 H new ATOM 0 HD22 LEU A 333 -6.980 -6.878 -15.618 1.00 0.00 H new ATOM 0 HD23 LEU A 333 -5.656 -5.873 -14.981 1.00 0.00 H new ATOM 342 N CYS A 334 -7.521 -6.911 -10.317 1.00 0.00 N ATOM 343 CA CYS A 334 -8.052 -7.908 -9.345 1.00 0.00 C ATOM 344 C CYS A 334 -8.789 -7.193 -8.209 1.00 0.00 C ATOM 345 O CYS A 334 -9.753 -7.699 -7.670 1.00 0.00 O ATOM 346 CB CYS A 334 -6.893 -8.718 -8.765 1.00 0.00 C ATOM 347 SG CYS A 334 -6.333 -7.947 -7.227 1.00 0.00 S ATOM 0 H CYS A 334 -6.513 -6.946 -10.466 1.00 0.00 H new ATOM 0 HA CYS A 334 -8.746 -8.572 -9.859 1.00 0.00 H new ATOM 0 HB2 CYS A 334 -7.210 -9.744 -8.576 1.00 0.00 H new ATOM 0 HB3 CYS A 334 -6.073 -8.765 -9.481 1.00 0.00 H new ATOM 0 HG CYS A 334 -5.409 -7.072 -7.492 1.00 0.00 H new ATOM 352 N GLY A 335 -8.346 -6.024 -7.836 1.00 0.00 N ATOM 353 CA GLY A 335 -9.028 -5.294 -6.729 1.00 0.00 C ATOM 354 C GLY A 335 -8.569 -5.864 -5.385 1.00 0.00 C ATOM 355 O GLY A 335 -9.265 -6.637 -4.758 1.00 0.00 O ATOM 0 H GLY A 335 -7.545 -5.544 -8.247 1.00 0.00 H new ATOM 0 HA2 GLY A 335 -8.797 -4.230 -6.783 1.00 0.00 H new ATOM 0 HA3 GLY A 335 -10.109 -5.390 -6.827 1.00 0.00 H new ATOM 359 N GLY A 336 -7.396 -5.497 -4.947 1.00 0.00 N ATOM 360 CA GLY A 336 -6.879 -6.019 -3.647 1.00 0.00 C ATOM 361 C GLY A 336 -7.729 -5.485 -2.490 1.00 0.00 C ATOM 362 O GLY A 336 -7.231 -5.215 -1.415 1.00 0.00 O ATOM 0 H GLY A 336 -6.770 -4.856 -5.434 1.00 0.00 H new ATOM 0 HA2 GLY A 336 -6.899 -7.109 -3.650 1.00 0.00 H new ATOM 0 HA3 GLY A 336 -5.840 -5.719 -3.513 1.00 0.00 H new ATOM 366 N ARG A 337 -9.007 -5.335 -2.699 1.00 0.00 N ATOM 367 CA ARG A 337 -9.891 -4.824 -1.614 1.00 0.00 C ATOM 368 C ARG A 337 -9.678 -5.654 -0.346 1.00 0.00 C ATOM 369 O ARG A 337 -9.803 -5.163 0.758 1.00 0.00 O ATOM 370 CB ARG A 337 -11.352 -4.938 -2.054 1.00 0.00 C ATOM 371 CG ARG A 337 -12.257 -4.330 -0.982 1.00 0.00 C ATOM 372 CD ARG A 337 -13.716 -4.414 -1.438 1.00 0.00 C ATOM 373 NE ARG A 337 -14.154 -5.837 -1.444 1.00 0.00 N ATOM 374 CZ ARG A 337 -14.368 -6.460 -0.317 1.00 0.00 C ATOM 375 NH1 ARG A 337 -14.197 -5.836 0.817 1.00 0.00 N ATOM 376 NH2 ARG A 337 -14.753 -7.708 -0.324 1.00 0.00 N ATOM 0 H ARG A 337 -9.479 -5.545 -3.578 1.00 0.00 H new ATOM 0 HA ARG A 337 -9.649 -3.781 -1.410 1.00 0.00 H new ATOM 0 HB2 ARG A 337 -11.498 -4.423 -3.003 1.00 0.00 H new ATOM 0 HB3 ARG A 337 -11.614 -5.984 -2.215 1.00 0.00 H new ATOM 0 HG2 ARG A 337 -12.129 -4.861 -0.039 1.00 0.00 H new ATOM 0 HG3 ARG A 337 -11.980 -3.291 -0.803 1.00 0.00 H new ATOM 0 HD2 ARG A 337 -14.351 -3.830 -0.771 1.00 0.00 H new ATOM 0 HD3 ARG A 337 -13.822 -3.986 -2.435 1.00 0.00 H new ATOM 0 HE ARG A 337 -14.287 -6.325 -2.329 1.00 0.00 H new ATOM 0 HH11 ARG A 337 -13.896 -4.861 0.823 1.00 0.00 H new ATOM 0 HH12 ARG A 337 -14.364 -6.323 1.697 1.00 0.00 H new ATOM 0 HH21 ARG A 337 -14.886 -8.196 -1.210 1.00 0.00 H new ATOM 0 HH22 ARG A 337 -14.920 -8.195 0.556 1.00 0.00 H new ATOM 390 N GLN A 338 -9.374 -6.912 -0.496 1.00 0.00 N ATOM 391 CA GLN A 338 -9.168 -7.782 0.697 1.00 0.00 C ATOM 392 C GLN A 338 -8.094 -7.180 1.606 1.00 0.00 C ATOM 393 O GLN A 338 -8.191 -7.238 2.815 1.00 0.00 O ATOM 394 CB GLN A 338 -8.715 -9.166 0.231 1.00 0.00 C ATOM 395 CG GLN A 338 -9.792 -9.779 -0.664 1.00 0.00 C ATOM 396 CD GLN A 338 -9.130 -10.438 -1.875 1.00 0.00 C ATOM 397 OE1 GLN A 338 -8.453 -11.438 -1.743 1.00 0.00 O ATOM 398 NE2 GLN A 338 -9.291 -9.908 -3.056 1.00 0.00 N ATOM 0 H GLN A 338 -9.259 -7.378 -1.396 1.00 0.00 H new ATOM 0 HA GLN A 338 -10.103 -7.860 1.252 1.00 0.00 H new ATOM 0 HB2 GLN A 338 -7.774 -9.088 -0.314 1.00 0.00 H new ATOM 0 HB3 GLN A 338 -8.532 -9.810 1.091 1.00 0.00 H new ATOM 0 HG2 GLN A 338 -10.369 -10.516 -0.105 1.00 0.00 H new ATOM 0 HG3 GLN A 338 -10.490 -9.009 -0.991 1.00 0.00 H new ATOM 0 HE21 GLN A 338 -9.860 -9.068 -3.165 1.00 0.00 H new ATOM 0 HE22 GLN A 338 -8.848 -10.333 -3.871 1.00 0.00 H new ATOM 407 N ASP A 339 -7.070 -6.604 1.038 1.00 0.00 N ATOM 408 CA ASP A 339 -5.996 -6.005 1.881 1.00 0.00 C ATOM 409 C ASP A 339 -5.067 -5.154 1.009 1.00 0.00 C ATOM 410 O ASP A 339 -3.930 -5.509 0.771 1.00 0.00 O ATOM 411 CB ASP A 339 -5.187 -7.123 2.542 1.00 0.00 C ATOM 412 CG ASP A 339 -5.783 -7.441 3.914 1.00 0.00 C ATOM 413 OD1 ASP A 339 -5.740 -6.575 4.772 1.00 0.00 O ATOM 414 OD2 ASP A 339 -6.272 -8.546 4.082 1.00 0.00 O ATOM 0 H ASP A 339 -6.930 -6.522 0.031 1.00 0.00 H new ATOM 0 HA ASP A 339 -6.448 -5.376 2.647 1.00 0.00 H new ATOM 0 HB2 ASP A 339 -5.197 -8.014 1.914 1.00 0.00 H new ATOM 0 HB3 ASP A 339 -4.146 -6.819 2.648 1.00 0.00 H new ATOM 419 N PRO A 340 -5.554 -4.039 0.540 1.00 0.00 N ATOM 420 CA PRO A 340 -4.765 -3.111 -0.323 1.00 0.00 C ATOM 421 C PRO A 340 -3.537 -2.549 0.403 1.00 0.00 C ATOM 422 O PRO A 340 -2.555 -2.181 -0.209 1.00 0.00 O ATOM 423 CB PRO A 340 -5.746 -1.981 -0.663 1.00 0.00 C ATOM 424 CG PRO A 340 -7.104 -2.492 -0.311 1.00 0.00 C ATOM 425 CD PRO A 340 -6.911 -3.540 0.780 1.00 0.00 C ATOM 0 HA PRO A 340 -4.376 -3.622 -1.204 1.00 0.00 H new ATOM 0 HB2 PRO A 340 -5.511 -1.078 -0.099 1.00 0.00 H new ATOM 0 HB3 PRO A 340 -5.689 -1.721 -1.720 1.00 0.00 H new ATOM 0 HG2 PRO A 340 -7.743 -1.682 0.040 1.00 0.00 H new ATOM 0 HG3 PRO A 340 -7.591 -2.927 -1.183 1.00 0.00 H new ATOM 0 HD2 PRO A 340 -7.009 -3.106 1.775 1.00 0.00 H new ATOM 0 HD3 PRO A 340 -7.651 -4.337 0.706 1.00 0.00 H new ATOM 433 N ASP A 341 -3.587 -2.479 1.702 1.00 0.00 N ATOM 434 CA ASP A 341 -2.433 -1.935 2.470 1.00 0.00 C ATOM 435 C ASP A 341 -1.199 -2.807 2.235 1.00 0.00 C ATOM 436 O ASP A 341 -0.077 -2.352 2.337 1.00 0.00 O ATOM 437 CB ASP A 341 -2.783 -1.934 3.958 1.00 0.00 C ATOM 438 CG ASP A 341 -3.902 -0.923 4.218 1.00 0.00 C ATOM 439 OD1 ASP A 341 -4.178 -0.135 3.330 1.00 0.00 O ATOM 440 OD2 ASP A 341 -4.462 -0.955 5.302 1.00 0.00 O ATOM 0 H ASP A 341 -4.381 -2.776 2.269 1.00 0.00 H new ATOM 0 HA ASP A 341 -2.219 -0.919 2.139 1.00 0.00 H new ATOM 0 HB2 ASP A 341 -3.099 -2.930 4.269 1.00 0.00 H new ATOM 0 HB3 ASP A 341 -1.903 -1.679 4.549 1.00 0.00 H new ATOM 445 N LYS A 342 -1.395 -4.057 1.935 1.00 0.00 N ATOM 446 CA LYS A 342 -0.235 -4.962 1.708 1.00 0.00 C ATOM 447 C LYS A 342 0.285 -4.805 0.275 1.00 0.00 C ATOM 448 O LYS A 342 1.225 -5.462 -0.124 1.00 0.00 O ATOM 449 CB LYS A 342 -0.685 -6.402 1.939 1.00 0.00 C ATOM 450 CG LYS A 342 -1.220 -6.526 3.364 1.00 0.00 C ATOM 451 CD LYS A 342 -1.584 -7.982 3.657 1.00 0.00 C ATOM 452 CE LYS A 342 -2.184 -8.087 5.060 1.00 0.00 C ATOM 453 NZ LYS A 342 -1.725 -9.351 5.702 1.00 0.00 N ATOM 0 H LYS A 342 -2.311 -4.494 1.836 1.00 0.00 H new ATOM 0 HA LYS A 342 0.569 -4.707 2.399 1.00 0.00 H new ATOM 0 HB2 LYS A 342 -1.457 -6.676 1.220 1.00 0.00 H new ATOM 0 HB3 LYS A 342 0.149 -7.087 1.788 1.00 0.00 H new ATOM 0 HG2 LYS A 342 -0.470 -6.179 4.075 1.00 0.00 H new ATOM 0 HG3 LYS A 342 -2.096 -5.890 3.490 1.00 0.00 H new ATOM 0 HD2 LYS A 342 -2.297 -8.345 2.917 1.00 0.00 H new ATOM 0 HD3 LYS A 342 -0.697 -8.612 3.581 1.00 0.00 H new ATOM 0 HE2 LYS A 342 -1.882 -7.230 5.662 1.00 0.00 H new ATOM 0 HE3 LYS A 342 -3.272 -8.069 5.004 1.00 0.00 H new ATOM 0 HZ1 LYS A 342 -2.132 -9.424 6.656 1.00 0.00 H new ATOM 0 HZ2 LYS A 342 -2.035 -10.163 5.131 1.00 0.00 H new ATOM 0 HZ3 LYS A 342 -0.687 -9.350 5.768 1.00 0.00 H new ATOM 467 N GLN A 343 -0.312 -3.937 -0.498 1.00 0.00 N ATOM 468 CA GLN A 343 0.156 -3.740 -1.900 1.00 0.00 C ATOM 469 C GLN A 343 0.934 -2.423 -1.997 1.00 0.00 C ATOM 470 O GLN A 343 0.650 -1.470 -1.300 1.00 0.00 O ATOM 471 CB GLN A 343 -1.049 -3.707 -2.843 1.00 0.00 C ATOM 472 CG GLN A 343 -1.746 -5.068 -2.823 1.00 0.00 C ATOM 473 CD GLN A 343 -2.982 -5.023 -3.725 1.00 0.00 C ATOM 474 OE1 GLN A 343 -3.448 -3.960 -4.084 1.00 0.00 O ATOM 475 NE2 GLN A 343 -3.533 -6.142 -4.110 1.00 0.00 N ATOM 0 H GLN A 343 -1.103 -3.357 -0.219 1.00 0.00 H new ATOM 0 HA GLN A 343 0.809 -4.564 -2.187 1.00 0.00 H new ATOM 0 HB2 GLN A 343 -1.744 -2.925 -2.536 1.00 0.00 H new ATOM 0 HB3 GLN A 343 -0.726 -3.466 -3.856 1.00 0.00 H new ATOM 0 HG2 GLN A 343 -1.061 -5.844 -3.165 1.00 0.00 H new ATOM 0 HG3 GLN A 343 -2.036 -5.325 -1.804 1.00 0.00 H new ATOM 0 HE21 GLN A 343 -3.141 -7.034 -3.808 1.00 0.00 H new ATOM 0 HE22 GLN A 343 -4.356 -6.124 -4.713 1.00 0.00 H new ATOM 484 N LEU A 344 1.926 -2.372 -2.849 1.00 0.00 N ATOM 485 CA LEU A 344 2.742 -1.130 -2.985 1.00 0.00 C ATOM 486 C LEU A 344 2.505 -0.485 -4.353 1.00 0.00 C ATOM 487 O LEU A 344 2.275 -1.162 -5.343 1.00 0.00 O ATOM 488 CB LEU A 344 4.223 -1.488 -2.860 1.00 0.00 C ATOM 489 CG LEU A 344 4.529 -2.679 -3.769 1.00 0.00 C ATOM 490 CD1 LEU A 344 5.924 -2.519 -4.371 1.00 0.00 C ATOM 491 CD2 LEU A 344 4.471 -3.972 -2.954 1.00 0.00 C ATOM 0 H LEU A 344 2.206 -3.141 -3.458 1.00 0.00 H new ATOM 0 HA LEU A 344 2.452 -0.429 -2.202 1.00 0.00 H new ATOM 0 HB2 LEU A 344 4.841 -0.634 -3.138 1.00 0.00 H new ATOM 0 HB3 LEU A 344 4.465 -1.733 -1.826 1.00 0.00 H new ATOM 0 HG LEU A 344 3.791 -2.721 -4.570 1.00 0.00 H new ATOM 0 HD11 LEU A 344 6.140 -3.369 -5.019 1.00 0.00 H new ATOM 0 HD12 LEU A 344 5.965 -1.599 -4.954 1.00 0.00 H new ATOM 0 HD13 LEU A 344 6.663 -2.475 -3.571 1.00 0.00 H new ATOM 0 HD21 LEU A 344 4.689 -4.821 -3.602 1.00 0.00 H new ATOM 0 HD22 LEU A 344 5.207 -3.930 -2.151 1.00 0.00 H new ATOM 0 HD23 LEU A 344 3.475 -4.088 -2.527 1.00 0.00 H new ATOM 503 N MET A 345 2.578 0.821 -4.411 1.00 0.00 N ATOM 504 CA MET A 345 2.378 1.538 -5.703 1.00 0.00 C ATOM 505 C MET A 345 3.635 2.349 -6.030 1.00 0.00 C ATOM 506 O MET A 345 4.244 2.941 -5.161 1.00 0.00 O ATOM 507 CB MET A 345 1.180 2.482 -5.588 1.00 0.00 C ATOM 508 CG MET A 345 0.836 3.036 -6.973 1.00 0.00 C ATOM 509 SD MET A 345 -0.466 4.282 -6.818 1.00 0.00 S ATOM 510 CE MET A 345 -1.756 3.183 -6.184 1.00 0.00 C ATOM 0 H MET A 345 2.769 1.424 -3.611 1.00 0.00 H new ATOM 0 HA MET A 345 2.191 0.813 -6.495 1.00 0.00 H new ATOM 0 HB2 MET A 345 0.323 1.951 -5.173 1.00 0.00 H new ATOM 0 HB3 MET A 345 1.411 3.299 -4.904 1.00 0.00 H new ATOM 0 HG2 MET A 345 1.722 3.476 -7.431 1.00 0.00 H new ATOM 0 HG3 MET A 345 0.506 2.229 -7.627 1.00 0.00 H new ATOM 0 HE1 MET A 345 -2.735 3.578 -6.454 1.00 0.00 H new ATOM 0 HE2 MET A 345 -1.633 2.190 -6.616 1.00 0.00 H new ATOM 0 HE3 MET A 345 -1.678 3.118 -5.099 1.00 0.00 H new ATOM 520 N CYS A 346 4.030 2.387 -7.276 1.00 0.00 N ATOM 521 CA CYS A 346 5.250 3.171 -7.639 1.00 0.00 C ATOM 522 C CYS A 346 4.833 4.602 -7.991 1.00 0.00 C ATOM 523 O CYS A 346 3.999 4.824 -8.841 1.00 0.00 O ATOM 524 CB CYS A 346 5.959 2.502 -8.825 1.00 0.00 C ATOM 525 SG CYS A 346 6.719 3.751 -9.899 1.00 0.00 S ATOM 0 H CYS A 346 3.566 1.914 -8.052 1.00 0.00 H new ATOM 0 HA CYS A 346 5.943 3.200 -6.798 1.00 0.00 H new ATOM 0 HB2 CYS A 346 6.722 1.815 -8.459 1.00 0.00 H new ATOM 0 HB3 CYS A 346 5.244 1.909 -9.396 1.00 0.00 H new ATOM 0 HG CYS A 346 6.351 3.547 -11.129 1.00 0.00 H new ATOM 530 N ASP A 347 5.388 5.574 -7.321 1.00 0.00 N ATOM 531 CA ASP A 347 4.998 6.988 -7.592 1.00 0.00 C ATOM 532 C ASP A 347 5.035 7.274 -9.092 1.00 0.00 C ATOM 533 O ASP A 347 4.176 7.946 -9.626 1.00 0.00 O ATOM 534 CB ASP A 347 5.971 7.927 -6.876 1.00 0.00 C ATOM 535 CG ASP A 347 5.454 9.364 -6.964 1.00 0.00 C ATOM 536 OD1 ASP A 347 4.367 9.550 -7.484 1.00 0.00 O ATOM 537 OD2 ASP A 347 6.154 10.254 -6.510 1.00 0.00 O ATOM 0 H ASP A 347 6.096 5.451 -6.597 1.00 0.00 H new ATOM 0 HA ASP A 347 3.984 7.150 -7.226 1.00 0.00 H new ATOM 0 HB2 ASP A 347 6.077 7.631 -5.832 1.00 0.00 H new ATOM 0 HB3 ASP A 347 6.960 7.857 -7.329 1.00 0.00 H new ATOM 542 N GLU A 348 6.023 6.781 -9.776 1.00 0.00 N ATOM 543 CA GLU A 348 6.110 7.037 -11.238 1.00 0.00 C ATOM 544 C GLU A 348 4.986 6.296 -11.974 1.00 0.00 C ATOM 545 O GLU A 348 4.561 6.705 -13.037 1.00 0.00 O ATOM 546 CB GLU A 348 7.470 6.576 -11.756 1.00 0.00 C ATOM 547 CG GLU A 348 7.626 7.000 -13.219 1.00 0.00 C ATOM 548 CD GLU A 348 8.991 6.552 -13.744 1.00 0.00 C ATOM 549 OE1 GLU A 348 9.816 6.166 -12.934 1.00 0.00 O ATOM 550 OE2 GLU A 348 9.192 6.618 -14.945 1.00 0.00 O ATOM 0 H GLU A 348 6.775 6.212 -9.388 1.00 0.00 H new ATOM 0 HA GLU A 348 5.999 8.106 -11.421 1.00 0.00 H new ATOM 0 HB2 GLU A 348 8.268 7.010 -11.153 1.00 0.00 H new ATOM 0 HB3 GLU A 348 7.557 5.493 -11.668 1.00 0.00 H new ATOM 0 HG2 GLU A 348 6.832 6.560 -13.822 1.00 0.00 H new ATOM 0 HG3 GLU A 348 7.530 8.082 -13.306 1.00 0.00 H new ATOM 557 N CYS A 349 4.507 5.208 -11.427 1.00 0.00 N ATOM 558 CA CYS A 349 3.418 4.441 -12.108 1.00 0.00 C ATOM 559 C CYS A 349 2.166 4.404 -11.230 1.00 0.00 C ATOM 560 O CYS A 349 2.228 4.116 -10.053 1.00 0.00 O ATOM 561 CB CYS A 349 3.884 3.005 -12.355 1.00 0.00 C ATOM 562 SG CYS A 349 5.405 3.021 -13.329 1.00 0.00 S ATOM 0 H CYS A 349 4.822 4.817 -10.539 1.00 0.00 H new ATOM 0 HA CYS A 349 3.185 4.931 -13.053 1.00 0.00 H new ATOM 0 HB2 CYS A 349 4.054 2.499 -11.405 1.00 0.00 H new ATOM 0 HB3 CYS A 349 3.110 2.446 -12.880 1.00 0.00 H new ATOM 0 HG CYS A 349 5.651 1.823 -13.769 1.00 0.00 H new ATOM 567 N ASP A 350 1.024 4.669 -11.796 1.00 0.00 N ATOM 568 CA ASP A 350 -0.226 4.626 -10.991 1.00 0.00 C ATOM 569 C ASP A 350 -0.625 3.166 -10.798 1.00 0.00 C ATOM 570 O ASP A 350 -1.769 2.845 -10.543 1.00 0.00 O ATOM 571 CB ASP A 350 -1.341 5.375 -11.725 1.00 0.00 C ATOM 572 CG ASP A 350 -0.999 6.865 -11.789 1.00 0.00 C ATOM 573 OD1 ASP A 350 -0.089 7.274 -11.086 1.00 0.00 O ATOM 574 OD2 ASP A 350 -1.652 7.571 -12.539 1.00 0.00 O ATOM 0 H ASP A 350 0.902 4.913 -12.779 1.00 0.00 H new ATOM 0 HA ASP A 350 -0.064 5.101 -10.023 1.00 0.00 H new ATOM 0 HB2 ASP A 350 -1.461 4.975 -12.732 1.00 0.00 H new ATOM 0 HB3 ASP A 350 -2.291 5.231 -11.210 1.00 0.00 H new ATOM 579 N MET A 351 0.324 2.281 -10.929 1.00 0.00 N ATOM 580 CA MET A 351 0.033 0.828 -10.768 1.00 0.00 C ATOM 581 C MET A 351 0.780 0.275 -9.552 1.00 0.00 C ATOM 582 O MET A 351 1.702 0.888 -9.033 1.00 0.00 O ATOM 583 CB MET A 351 0.494 0.077 -12.019 1.00 0.00 C ATOM 584 CG MET A 351 -0.377 0.481 -13.211 1.00 0.00 C ATOM 585 SD MET A 351 0.064 -0.529 -14.649 1.00 0.00 S ATOM 586 CE MET A 351 -0.602 -2.102 -14.050 1.00 0.00 C ATOM 0 H MET A 351 1.296 2.504 -11.142 1.00 0.00 H new ATOM 0 HA MET A 351 -1.039 0.694 -10.625 1.00 0.00 H new ATOM 0 HB2 MET A 351 1.540 0.304 -12.227 1.00 0.00 H new ATOM 0 HB3 MET A 351 0.427 -0.999 -11.855 1.00 0.00 H new ATOM 0 HG2 MET A 351 -1.431 0.346 -12.968 1.00 0.00 H new ATOM 0 HG3 MET A 351 -0.235 1.538 -13.438 1.00 0.00 H new ATOM 0 HE1 MET A 351 -0.828 -2.748 -14.898 1.00 0.00 H new ATOM 0 HE2 MET A 351 0.134 -2.588 -13.409 1.00 0.00 H new ATOM 0 HE3 MET A 351 -1.513 -1.918 -13.481 1.00 0.00 H new ATOM 596 N ALA A 352 0.390 -0.888 -9.103 1.00 0.00 N ATOM 597 CA ALA A 352 1.066 -1.506 -7.932 1.00 0.00 C ATOM 598 C ALA A 352 1.425 -2.948 -8.263 1.00 0.00 C ATOM 599 O ALA A 352 1.272 -3.390 -9.385 1.00 0.00 O ATOM 600 CB ALA A 352 0.134 -1.472 -6.718 1.00 0.00 C ATOM 0 H ALA A 352 -0.372 -1.437 -9.501 1.00 0.00 H new ATOM 0 HA ALA A 352 1.973 -0.948 -7.700 1.00 0.00 H new ATOM 0 HB1 ALA A 352 0.634 -1.926 -5.863 1.00 0.00 H new ATOM 0 HB2 ALA A 352 -0.120 -0.438 -6.483 1.00 0.00 H new ATOM 0 HB3 ALA A 352 -0.777 -2.027 -6.943 1.00 0.00 H new ATOM 606 N PHE A 353 1.921 -3.679 -7.302 1.00 0.00 N ATOM 607 CA PHE A 353 2.312 -5.092 -7.572 1.00 0.00 C ATOM 608 C PHE A 353 1.402 -6.070 -6.828 1.00 0.00 C ATOM 609 O PHE A 353 0.976 -5.835 -5.716 1.00 0.00 O ATOM 610 CB PHE A 353 3.767 -5.298 -7.154 1.00 0.00 C ATOM 611 CG PHE A 353 4.645 -4.493 -8.080 1.00 0.00 C ATOM 612 CD1 PHE A 353 5.008 -5.021 -9.325 1.00 0.00 C ATOM 613 CD2 PHE A 353 5.079 -3.216 -7.707 1.00 0.00 C ATOM 614 CE1 PHE A 353 5.805 -4.273 -10.197 1.00 0.00 C ATOM 615 CE2 PHE A 353 5.879 -2.468 -8.579 1.00 0.00 C ATOM 616 CZ PHE A 353 6.242 -2.996 -9.824 1.00 0.00 C ATOM 0 H PHE A 353 2.072 -3.360 -6.345 1.00 0.00 H new ATOM 0 HA PHE A 353 2.204 -5.289 -8.639 1.00 0.00 H new ATOM 0 HB2 PHE A 353 3.914 -4.982 -6.121 1.00 0.00 H new ATOM 0 HB3 PHE A 353 4.030 -6.354 -7.204 1.00 0.00 H new ATOM 0 HD1 PHE A 353 4.672 -6.007 -9.612 1.00 0.00 H new ATOM 0 HD2 PHE A 353 4.797 -2.808 -6.748 1.00 0.00 H new ATOM 0 HE1 PHE A 353 6.083 -4.680 -11.158 1.00 0.00 H new ATOM 0 HE2 PHE A 353 6.216 -1.483 -8.291 1.00 0.00 H new ATOM 0 HZ PHE A 353 6.859 -2.418 -10.496 1.00 0.00 H new ATOM 626 N HIS A 354 1.113 -7.174 -7.461 1.00 0.00 N ATOM 627 CA HIS A 354 0.238 -8.214 -6.851 1.00 0.00 C ATOM 628 C HIS A 354 0.951 -8.879 -5.677 1.00 0.00 C ATOM 629 O HIS A 354 0.596 -9.967 -5.268 1.00 0.00 O ATOM 630 CB HIS A 354 -0.098 -9.271 -7.899 1.00 0.00 C ATOM 631 CG HIS A 354 -1.454 -8.991 -8.492 1.00 0.00 C ATOM 632 ND1 HIS A 354 -2.191 -9.974 -9.135 1.00 0.00 N ATOM 633 CD2 HIS A 354 -2.227 -7.857 -8.532 1.00 0.00 C ATOM 634 CE1 HIS A 354 -3.352 -9.418 -9.528 1.00 0.00 C ATOM 635 NE2 HIS A 354 -3.425 -8.130 -9.184 1.00 0.00 N ATOM 0 H HIS A 354 1.454 -7.403 -8.395 1.00 0.00 H new ATOM 0 HA HIS A 354 -0.677 -7.742 -6.493 1.00 0.00 H new ATOM 0 HB2 HIS A 354 0.659 -9.271 -8.684 1.00 0.00 H new ATOM 0 HB3 HIS A 354 -0.087 -10.262 -7.445 1.00 0.00 H new ATOM 0 HD2 HIS A 354 -1.947 -6.899 -8.120 1.00 0.00 H new ATOM 0 HE1 HIS A 354 -4.130 -9.949 -10.057 1.00 0.00 H new ATOM 0 HE2 HIS A 354 -4.195 -7.484 -9.361 1.00 0.00 H new ATOM 643 N ILE A 355 1.960 -8.250 -5.144 1.00 0.00 N ATOM 644 CA ILE A 355 2.698 -8.870 -4.007 1.00 0.00 C ATOM 645 C ILE A 355 1.691 -9.508 -3.051 1.00 0.00 C ATOM 646 O ILE A 355 1.905 -10.586 -2.533 1.00 0.00 O ATOM 647 CB ILE A 355 3.477 -7.788 -3.256 1.00 0.00 C ATOM 648 CG1 ILE A 355 4.471 -8.445 -2.296 1.00 0.00 C ATOM 649 CG2 ILE A 355 2.502 -6.921 -2.457 1.00 0.00 C ATOM 650 CD1 ILE A 355 5.295 -7.361 -1.598 1.00 0.00 C ATOM 0 H ILE A 355 2.305 -7.338 -5.444 1.00 0.00 H new ATOM 0 HA ILE A 355 3.388 -9.624 -4.385 1.00 0.00 H new ATOM 0 HB ILE A 355 4.017 -7.169 -3.972 1.00 0.00 H new ATOM 0 HG12 ILE A 355 3.938 -9.045 -1.558 1.00 0.00 H new ATOM 0 HG13 ILE A 355 5.128 -9.122 -2.842 1.00 0.00 H new ATOM 0 HG21 ILE A 355 3.056 -6.150 -1.921 1.00 0.00 H new ATOM 0 HG22 ILE A 355 1.791 -6.451 -3.137 1.00 0.00 H new ATOM 0 HG23 ILE A 355 1.963 -7.543 -1.742 1.00 0.00 H new ATOM 0 HD11 ILE A 355 6.004 -7.827 -0.914 1.00 0.00 H new ATOM 0 HD12 ILE A 355 5.838 -6.781 -2.343 1.00 0.00 H new ATOM 0 HD13 ILE A 355 4.630 -6.702 -1.039 1.00 0.00 H new ATOM 662 N TYR A 356 0.581 -8.865 -2.834 1.00 0.00 N ATOM 663 CA TYR A 356 -0.450 -9.451 -1.937 1.00 0.00 C ATOM 664 C TYR A 356 -1.250 -10.507 -2.700 1.00 0.00 C ATOM 665 O TYR A 356 -1.488 -11.596 -2.217 1.00 0.00 O ATOM 666 CB TYR A 356 -1.396 -8.358 -1.448 1.00 0.00 C ATOM 667 CG TYR A 356 -2.523 -8.997 -0.678 1.00 0.00 C ATOM 668 CD1 TYR A 356 -2.320 -9.419 0.638 1.00 0.00 C ATOM 669 CD2 TYR A 356 -3.773 -9.169 -1.285 1.00 0.00 C ATOM 670 CE1 TYR A 356 -3.366 -10.016 1.352 1.00 0.00 C ATOM 671 CE2 TYR A 356 -4.820 -9.765 -0.573 1.00 0.00 C ATOM 672 CZ TYR A 356 -4.616 -10.189 0.746 1.00 0.00 C ATOM 673 OH TYR A 356 -5.649 -10.777 1.448 1.00 0.00 O ATOM 0 H TYR A 356 0.343 -7.959 -3.238 1.00 0.00 H new ATOM 0 HA TYR A 356 0.043 -9.911 -1.080 1.00 0.00 H new ATOM 0 HB2 TYR A 356 -0.860 -7.651 -0.815 1.00 0.00 H new ATOM 0 HB3 TYR A 356 -1.789 -7.794 -2.294 1.00 0.00 H new ATOM 0 HD1 TYR A 356 -1.356 -9.285 1.105 1.00 0.00 H new ATOM 0 HD2 TYR A 356 -3.929 -8.842 -2.302 1.00 0.00 H new ATOM 0 HE1 TYR A 356 -3.209 -10.343 2.369 1.00 0.00 H new ATOM 0 HE2 TYR A 356 -5.785 -9.898 -1.040 1.00 0.00 H new ATOM 0 HH TYR A 356 -6.447 -10.820 0.881 1.00 0.00 H new ATOM 683 N CYS A 357 -1.677 -10.181 -3.889 1.00 0.00 N ATOM 684 CA CYS A 357 -2.474 -11.151 -4.692 1.00 0.00 C ATOM 685 C CYS A 357 -1.615 -12.369 -5.037 1.00 0.00 C ATOM 686 O CYS A 357 -1.966 -13.493 -4.738 1.00 0.00 O ATOM 687 CB CYS A 357 -2.939 -10.467 -5.981 1.00 0.00 C ATOM 688 SG CYS A 357 -3.000 -8.674 -5.717 1.00 0.00 S ATOM 0 H CYS A 357 -1.508 -9.282 -4.340 1.00 0.00 H new ATOM 0 HA CYS A 357 -3.339 -11.480 -4.116 1.00 0.00 H new ATOM 0 HB2 CYS A 357 -2.258 -10.703 -6.798 1.00 0.00 H new ATOM 0 HB3 CYS A 357 -3.923 -10.838 -6.269 1.00 0.00 H new ATOM 0 HG CYS A 357 -4.117 -8.204 -6.188 1.00 0.00 H new ATOM 693 N LEU A 358 -0.493 -12.153 -5.662 1.00 0.00 N ATOM 694 CA LEU A 358 0.391 -13.299 -6.026 1.00 0.00 C ATOM 695 C LEU A 358 0.976 -13.913 -4.753 1.00 0.00 C ATOM 696 O LEU A 358 1.158 -15.110 -4.655 1.00 0.00 O ATOM 697 CB LEU A 358 1.521 -12.798 -6.936 1.00 0.00 C ATOM 698 CG LEU A 358 2.264 -13.986 -7.568 1.00 0.00 C ATOM 699 CD1 LEU A 358 2.794 -13.573 -8.941 1.00 0.00 C ATOM 700 CD2 LEU A 358 3.446 -14.409 -6.686 1.00 0.00 C ATOM 0 H LEU A 358 -0.148 -11.234 -5.938 1.00 0.00 H new ATOM 0 HA LEU A 358 -0.185 -14.058 -6.555 1.00 0.00 H new ATOM 0 HB2 LEU A 358 1.111 -12.159 -7.718 1.00 0.00 H new ATOM 0 HB3 LEU A 358 2.218 -12.189 -6.360 1.00 0.00 H new ATOM 0 HG LEU A 358 1.573 -14.823 -7.664 1.00 0.00 H new ATOM 0 HD11 LEU A 358 3.322 -14.412 -9.394 1.00 0.00 H new ATOM 0 HD12 LEU A 358 1.961 -13.281 -9.580 1.00 0.00 H new ATOM 0 HD13 LEU A 358 3.478 -12.731 -8.829 1.00 0.00 H new ATOM 0 HD21 LEU A 358 3.961 -15.251 -7.148 1.00 0.00 H new ATOM 0 HD22 LEU A 358 4.138 -13.574 -6.580 1.00 0.00 H new ATOM 0 HD23 LEU A 358 3.079 -14.703 -5.703 1.00 0.00 H new ATOM 712 N ASP A 359 1.269 -13.098 -3.778 1.00 0.00 N ATOM 713 CA ASP A 359 1.844 -13.620 -2.504 1.00 0.00 C ATOM 714 C ASP A 359 3.206 -14.273 -2.768 1.00 0.00 C ATOM 715 O ASP A 359 3.377 -15.461 -2.583 1.00 0.00 O ATOM 716 CB ASP A 359 0.893 -14.657 -1.903 1.00 0.00 C ATOM 717 CG ASP A 359 1.205 -14.836 -0.417 1.00 0.00 C ATOM 718 OD1 ASP A 359 1.366 -13.833 0.259 1.00 0.00 O ATOM 719 OD2 ASP A 359 1.279 -15.972 0.021 1.00 0.00 O ATOM 0 H ASP A 359 1.135 -12.087 -3.808 1.00 0.00 H new ATOM 0 HA ASP A 359 1.974 -12.791 -1.808 1.00 0.00 H new ATOM 0 HB2 ASP A 359 -0.141 -14.336 -2.032 1.00 0.00 H new ATOM 0 HB3 ASP A 359 0.999 -15.608 -2.425 1.00 0.00 H new ATOM 724 N PRO A 360 4.170 -13.495 -3.189 1.00 0.00 N ATOM 725 CA PRO A 360 5.542 -13.987 -3.477 1.00 0.00 C ATOM 726 C PRO A 360 6.430 -13.978 -2.224 1.00 0.00 C ATOM 727 O PRO A 360 6.103 -13.353 -1.236 1.00 0.00 O ATOM 728 CB PRO A 360 6.058 -12.981 -4.499 1.00 0.00 C ATOM 729 CG PRO A 360 5.355 -11.698 -4.185 1.00 0.00 C ATOM 730 CD PRO A 360 4.059 -12.054 -3.443 1.00 0.00 C ATOM 0 HA PRO A 360 5.549 -15.019 -3.828 1.00 0.00 H new ATOM 0 HB2 PRO A 360 7.139 -12.865 -4.424 1.00 0.00 H new ATOM 0 HB3 PRO A 360 5.842 -13.308 -5.516 1.00 0.00 H new ATOM 0 HG2 PRO A 360 5.985 -11.056 -3.570 1.00 0.00 H new ATOM 0 HG3 PRO A 360 5.135 -11.147 -5.099 1.00 0.00 H new ATOM 0 HD2 PRO A 360 3.966 -11.492 -2.513 1.00 0.00 H new ATOM 0 HD3 PRO A 360 3.180 -11.823 -4.045 1.00 0.00 H new ATOM 738 N PRO A 361 7.551 -14.657 -2.263 1.00 0.00 N ATOM 739 CA PRO A 361 8.490 -14.708 -1.107 1.00 0.00 C ATOM 740 C PRO A 361 8.808 -13.313 -0.552 1.00 0.00 C ATOM 741 O PRO A 361 9.253 -13.171 0.569 1.00 0.00 O ATOM 742 CB PRO A 361 9.757 -15.339 -1.684 1.00 0.00 C ATOM 743 CG PRO A 361 9.323 -16.107 -2.887 1.00 0.00 C ATOM 744 CD PRO A 361 8.040 -15.455 -3.403 1.00 0.00 C ATOM 0 HA PRO A 361 8.063 -15.266 -0.274 1.00 0.00 H new ATOM 0 HB2 PRO A 361 10.487 -14.575 -1.951 1.00 0.00 H new ATOM 0 HB3 PRO A 361 10.234 -15.993 -0.954 1.00 0.00 H new ATOM 0 HG2 PRO A 361 10.098 -16.091 -3.654 1.00 0.00 H new ATOM 0 HG3 PRO A 361 9.148 -17.152 -2.633 1.00 0.00 H new ATOM 0 HD2 PRO A 361 8.235 -14.828 -4.273 1.00 0.00 H new ATOM 0 HD3 PRO A 361 7.308 -16.203 -3.707 1.00 0.00 H new ATOM 752 N LEU A 362 8.589 -12.283 -1.327 1.00 0.00 N ATOM 753 CA LEU A 362 8.889 -10.908 -0.832 1.00 0.00 C ATOM 754 C LEU A 362 8.173 -10.679 0.502 1.00 0.00 C ATOM 755 O LEU A 362 8.761 -10.208 1.455 1.00 0.00 O ATOM 756 CB LEU A 362 8.396 -9.879 -1.855 1.00 0.00 C ATOM 757 CG LEU A 362 9.056 -10.139 -3.211 1.00 0.00 C ATOM 758 CD1 LEU A 362 8.613 -9.067 -4.210 1.00 0.00 C ATOM 759 CD2 LEU A 362 10.577 -10.089 -3.057 1.00 0.00 C ATOM 0 H LEU A 362 8.218 -12.334 -2.276 1.00 0.00 H new ATOM 0 HA LEU A 362 9.965 -10.799 -0.693 1.00 0.00 H new ATOM 0 HB2 LEU A 362 7.312 -9.938 -1.951 1.00 0.00 H new ATOM 0 HB3 LEU A 362 8.631 -8.871 -1.513 1.00 0.00 H new ATOM 0 HG LEU A 362 8.758 -11.122 -3.575 1.00 0.00 H new ATOM 0 HD11 LEU A 362 9.083 -9.253 -5.176 1.00 0.00 H new ATOM 0 HD12 LEU A 362 7.529 -9.100 -4.322 1.00 0.00 H new ATOM 0 HD13 LEU A 362 8.910 -8.084 -3.845 1.00 0.00 H new ATOM 0 HD21 LEU A 362 11.047 -10.274 -4.023 1.00 0.00 H new ATOM 0 HD22 LEU A 362 10.874 -9.106 -2.692 1.00 0.00 H new ATOM 0 HD23 LEU A 362 10.896 -10.851 -2.346 1.00 0.00 H new ATOM 771 N SER A 363 6.914 -11.024 0.574 1.00 0.00 N ATOM 772 CA SER A 363 6.145 -10.843 1.843 1.00 0.00 C ATOM 773 C SER A 363 6.566 -9.548 2.548 1.00 0.00 C ATOM 774 O SER A 363 6.402 -9.407 3.744 1.00 0.00 O ATOM 775 CB SER A 363 6.411 -12.031 2.768 1.00 0.00 C ATOM 776 OG SER A 363 7.153 -11.589 3.898 1.00 0.00 O ATOM 0 H SER A 363 6.381 -11.426 -0.197 1.00 0.00 H new ATOM 0 HA SER A 363 5.083 -10.784 1.605 1.00 0.00 H new ATOM 0 HB2 SER A 363 5.469 -12.476 3.088 1.00 0.00 H new ATOM 0 HB3 SER A 363 6.964 -12.805 2.235 1.00 0.00 H new ATOM 0 HG SER A 363 6.621 -10.941 4.406 1.00 0.00 H new ATOM 782 N SER A 364 7.108 -8.605 1.824 1.00 0.00 N ATOM 783 CA SER A 364 7.538 -7.325 2.460 1.00 0.00 C ATOM 784 C SER A 364 6.982 -6.143 1.665 1.00 0.00 C ATOM 785 O SER A 364 6.834 -6.211 0.462 1.00 0.00 O ATOM 786 CB SER A 364 9.065 -7.254 2.475 1.00 0.00 C ATOM 787 OG SER A 364 9.582 -8.371 3.187 1.00 0.00 O ATOM 0 H SER A 364 7.272 -8.666 0.819 1.00 0.00 H new ATOM 0 HA SER A 364 7.159 -7.283 3.481 1.00 0.00 H new ATOM 0 HB2 SER A 364 9.450 -7.249 1.455 1.00 0.00 H new ATOM 0 HB3 SER A 364 9.392 -6.326 2.944 1.00 0.00 H new ATOM 0 HG SER A 364 9.506 -9.176 2.633 1.00 0.00 H new ATOM 793 N VAL A 365 6.683 -5.055 2.326 1.00 0.00 N ATOM 794 CA VAL A 365 6.146 -3.867 1.604 1.00 0.00 C ATOM 795 C VAL A 365 7.175 -2.724 1.668 1.00 0.00 C ATOM 796 O VAL A 365 7.376 -2.134 2.712 1.00 0.00 O ATOM 797 CB VAL A 365 4.855 -3.412 2.287 1.00 0.00 C ATOM 798 CG1 VAL A 365 4.193 -2.313 1.453 1.00 0.00 C ATOM 799 CG2 VAL A 365 3.898 -4.600 2.414 1.00 0.00 C ATOM 0 H VAL A 365 6.788 -4.939 3.334 1.00 0.00 H new ATOM 0 HA VAL A 365 5.948 -4.127 0.564 1.00 0.00 H new ATOM 0 HB VAL A 365 5.088 -3.024 3.279 1.00 0.00 H new ATOM 0 HG11 VAL A 365 3.273 -1.990 1.941 1.00 0.00 H new ATOM 0 HG12 VAL A 365 4.873 -1.466 1.362 1.00 0.00 H new ATOM 0 HG13 VAL A 365 3.961 -2.699 0.461 1.00 0.00 H new ATOM 0 HG21 VAL A 365 2.978 -4.276 2.901 1.00 0.00 H new ATOM 0 HG22 VAL A 365 3.666 -4.988 1.422 1.00 0.00 H new ATOM 0 HG23 VAL A 365 4.367 -5.383 3.010 1.00 0.00 H new ATOM 809 N PRO A 366 7.813 -2.393 0.566 1.00 0.00 N ATOM 810 CA PRO A 366 8.811 -1.290 0.513 1.00 0.00 C ATOM 811 C PRO A 366 8.167 0.068 0.213 1.00 0.00 C ATOM 812 O PRO A 366 8.845 1.046 -0.032 1.00 0.00 O ATOM 813 CB PRO A 366 9.716 -1.712 -0.636 1.00 0.00 C ATOM 814 CG PRO A 366 8.813 -2.427 -1.587 1.00 0.00 C ATOM 815 CD PRO A 366 7.674 -3.033 -0.755 1.00 0.00 C ATOM 0 HA PRO A 366 9.327 -1.153 1.464 1.00 0.00 H new ATOM 0 HB2 PRO A 366 10.185 -0.849 -1.108 1.00 0.00 H new ATOM 0 HB3 PRO A 366 10.520 -2.361 -0.289 1.00 0.00 H new ATOM 0 HG2 PRO A 366 8.420 -1.740 -2.336 1.00 0.00 H new ATOM 0 HG3 PRO A 366 9.356 -3.206 -2.123 1.00 0.00 H new ATOM 0 HD2 PRO A 366 6.701 -2.823 -1.199 1.00 0.00 H new ATOM 0 HD3 PRO A 366 7.765 -4.117 -0.684 1.00 0.00 H new ATOM 823 N SER A 367 6.864 0.134 0.221 1.00 0.00 N ATOM 824 CA SER A 367 6.178 1.422 -0.074 1.00 0.00 C ATOM 825 C SER A 367 6.650 2.494 0.910 1.00 0.00 C ATOM 826 O SER A 367 6.406 3.669 0.726 1.00 0.00 O ATOM 827 CB SER A 367 4.668 1.232 0.063 1.00 0.00 C ATOM 828 OG SER A 367 4.338 1.049 1.433 1.00 0.00 O ATOM 0 H SER A 367 6.244 -0.651 0.420 1.00 0.00 H new ATOM 0 HA SER A 367 6.417 1.737 -1.090 1.00 0.00 H new ATOM 0 HB2 SER A 367 4.143 2.100 -0.336 1.00 0.00 H new ATOM 0 HB3 SER A 367 4.345 0.369 -0.519 1.00 0.00 H new ATOM 0 HG SER A 367 3.370 0.929 1.523 1.00 0.00 H new ATOM 834 N GLU A 368 7.318 2.098 1.958 1.00 0.00 N ATOM 835 CA GLU A 368 7.801 3.094 2.955 1.00 0.00 C ATOM 836 C GLU A 368 8.701 4.124 2.267 1.00 0.00 C ATOM 837 O GLU A 368 8.738 5.276 2.654 1.00 0.00 O ATOM 838 CB GLU A 368 8.593 2.376 4.049 1.00 0.00 C ATOM 839 CG GLU A 368 7.666 1.428 4.812 1.00 0.00 C ATOM 840 CD GLU A 368 8.441 0.761 5.949 1.00 0.00 C ATOM 841 OE1 GLU A 368 9.650 0.921 5.991 1.00 0.00 O ATOM 842 OE2 GLU A 368 7.812 0.099 6.759 1.00 0.00 O ATOM 0 H GLU A 368 7.550 1.127 2.167 1.00 0.00 H new ATOM 0 HA GLU A 368 6.945 3.604 3.397 1.00 0.00 H new ATOM 0 HB2 GLU A 368 9.419 1.817 3.608 1.00 0.00 H new ATOM 0 HB3 GLU A 368 9.030 3.103 4.733 1.00 0.00 H new ATOM 0 HG2 GLU A 368 6.815 1.979 5.212 1.00 0.00 H new ATOM 0 HG3 GLU A 368 7.267 0.671 4.137 1.00 0.00 H new ATOM 849 N ASP A 369 9.425 3.724 1.253 1.00 0.00 N ATOM 850 CA ASP A 369 10.318 4.684 0.546 1.00 0.00 C ATOM 851 C ASP A 369 9.910 4.762 -0.924 1.00 0.00 C ATOM 852 O ASP A 369 9.122 3.971 -1.402 1.00 0.00 O ATOM 853 CB ASP A 369 11.768 4.207 0.645 1.00 0.00 C ATOM 854 CG ASP A 369 12.199 4.192 2.113 1.00 0.00 C ATOM 855 OD1 ASP A 369 11.512 4.797 2.918 1.00 0.00 O ATOM 856 OD2 ASP A 369 13.211 3.575 2.406 1.00 0.00 O ATOM 0 H ASP A 369 9.435 2.773 0.886 1.00 0.00 H new ATOM 0 HA ASP A 369 10.230 5.668 1.006 1.00 0.00 H new ATOM 0 HB2 ASP A 369 11.864 3.210 0.216 1.00 0.00 H new ATOM 0 HB3 ASP A 369 12.419 4.866 0.070 1.00 0.00 H new ATOM 861 N GLU A 370 10.441 5.709 -1.644 1.00 0.00 N ATOM 862 CA GLU A 370 10.081 5.836 -3.084 1.00 0.00 C ATOM 863 C GLU A 370 10.351 4.506 -3.784 1.00 0.00 C ATOM 864 O GLU A 370 11.345 3.856 -3.529 1.00 0.00 O ATOM 865 CB GLU A 370 10.929 6.937 -3.721 1.00 0.00 C ATOM 866 CG GLU A 370 10.604 8.276 -3.053 1.00 0.00 C ATOM 867 CD GLU A 370 11.433 9.388 -3.698 1.00 0.00 C ATOM 868 OE1 GLU A 370 12.374 9.066 -4.403 1.00 0.00 O ATOM 869 OE2 GLU A 370 11.116 10.544 -3.471 1.00 0.00 O ATOM 0 H GLU A 370 11.108 6.400 -1.299 1.00 0.00 H new ATOM 0 HA GLU A 370 9.026 6.092 -3.183 1.00 0.00 H new ATOM 0 HB2 GLU A 370 11.989 6.708 -3.607 1.00 0.00 H new ATOM 0 HB3 GLU A 370 10.729 6.993 -4.791 1.00 0.00 H new ATOM 0 HG2 GLU A 370 9.541 8.496 -3.155 1.00 0.00 H new ATOM 0 HG3 GLU A 370 10.818 8.222 -1.985 1.00 0.00 H new ATOM 876 N TRP A 371 9.472 4.094 -4.659 1.00 0.00 N ATOM 877 CA TRP A 371 9.677 2.800 -5.368 1.00 0.00 C ATOM 878 C TRP A 371 9.764 3.039 -6.873 1.00 0.00 C ATOM 879 O TRP A 371 8.939 3.721 -7.449 1.00 0.00 O ATOM 880 CB TRP A 371 8.501 1.868 -5.084 1.00 0.00 C ATOM 881 CG TRP A 371 9.010 0.473 -4.959 1.00 0.00 C ATOM 882 CD1 TRP A 371 9.541 -0.048 -3.836 1.00 0.00 C ATOM 883 CD2 TRP A 371 9.060 -0.581 -5.964 1.00 0.00 C ATOM 884 NE1 TRP A 371 9.912 -1.358 -4.079 1.00 0.00 N ATOM 885 CE2 TRP A 371 9.635 -1.733 -5.378 1.00 0.00 C ATOM 886 CE3 TRP A 371 8.664 -0.649 -7.310 1.00 0.00 C ATOM 887 CZ2 TRP A 371 9.813 -2.912 -6.102 1.00 0.00 C ATOM 888 CZ3 TRP A 371 8.841 -1.834 -8.044 1.00 0.00 C ATOM 889 CH2 TRP A 371 9.414 -2.962 -7.440 1.00 0.00 C ATOM 0 H TRP A 371 8.622 4.598 -4.912 1.00 0.00 H new ATOM 0 HA TRP A 371 10.604 2.348 -5.015 1.00 0.00 H new ATOM 0 HB2 TRP A 371 7.995 2.168 -4.166 1.00 0.00 H new ATOM 0 HB3 TRP A 371 7.767 1.931 -5.888 1.00 0.00 H new ATOM 0 HD1 TRP A 371 9.658 0.473 -2.897 1.00 0.00 H new ATOM 0 HE1 TRP A 371 10.338 -1.971 -3.384 1.00 0.00 H new ATOM 0 HE3 TRP A 371 8.221 0.215 -7.783 1.00 0.00 H new ATOM 0 HZ2 TRP A 371 10.255 -3.778 -5.633 1.00 0.00 H new ATOM 0 HZ3 TRP A 371 8.534 -1.876 -9.079 1.00 0.00 H new ATOM 0 HH2 TRP A 371 9.547 -3.870 -8.009 1.00 0.00 H new ATOM 900 N TYR A 372 10.748 2.471 -7.518 1.00 0.00 N ATOM 901 CA TYR A 372 10.876 2.651 -8.991 1.00 0.00 C ATOM 902 C TYR A 372 10.910 1.285 -9.674 1.00 0.00 C ATOM 903 O TYR A 372 11.730 0.444 -9.360 1.00 0.00 O ATOM 904 CB TYR A 372 12.172 3.394 -9.316 1.00 0.00 C ATOM 905 CG TYR A 372 12.204 4.716 -8.593 1.00 0.00 C ATOM 906 CD1 TYR A 372 11.457 5.796 -9.073 1.00 0.00 C ATOM 907 CD2 TYR A 372 12.989 4.863 -7.443 1.00 0.00 C ATOM 908 CE1 TYR A 372 11.494 7.025 -8.406 1.00 0.00 C ATOM 909 CE2 TYR A 372 13.025 6.090 -6.774 1.00 0.00 C ATOM 910 CZ TYR A 372 12.278 7.173 -7.255 1.00 0.00 C ATOM 911 OH TYR A 372 12.315 8.384 -6.599 1.00 0.00 O ATOM 0 H TYR A 372 11.468 1.891 -7.087 1.00 0.00 H new ATOM 0 HA TYR A 372 10.023 3.227 -9.349 1.00 0.00 H new ATOM 0 HB2 TYR A 372 13.031 2.789 -9.024 1.00 0.00 H new ATOM 0 HB3 TYR A 372 12.248 3.556 -10.391 1.00 0.00 H new ATOM 0 HD1 TYR A 372 10.851 5.681 -9.959 1.00 0.00 H new ATOM 0 HD2 TYR A 372 13.567 4.029 -7.073 1.00 0.00 H new ATOM 0 HE1 TYR A 372 10.918 7.859 -8.778 1.00 0.00 H new ATOM 0 HE2 TYR A 372 13.629 6.203 -5.886 1.00 0.00 H new ATOM 0 HH TYR A 372 12.455 8.233 -5.641 1.00 0.00 H new ATOM 921 N CYS A 373 10.050 1.068 -10.625 1.00 0.00 N ATOM 922 CA CYS A 373 10.055 -0.226 -11.352 1.00 0.00 C ATOM 923 C CYS A 373 11.384 -0.338 -12.108 1.00 0.00 C ATOM 924 O CYS A 373 12.013 0.662 -12.393 1.00 0.00 O ATOM 925 CB CYS A 373 8.891 -0.233 -12.344 1.00 0.00 C ATOM 926 SG CYS A 373 7.432 0.492 -11.555 1.00 0.00 S ATOM 0 H CYS A 373 9.341 1.734 -10.931 1.00 0.00 H new ATOM 0 HA CYS A 373 9.947 -1.064 -10.664 1.00 0.00 H new ATOM 0 HB2 CYS A 373 9.155 0.333 -13.237 1.00 0.00 H new ATOM 0 HB3 CYS A 373 8.677 -1.253 -12.665 1.00 0.00 H new ATOM 0 HG CYS A 373 6.897 1.367 -12.353 1.00 0.00 H new ATOM 931 N PRO A 374 11.824 -1.528 -12.436 1.00 0.00 N ATOM 932 CA PRO A 374 13.107 -1.709 -13.167 1.00 0.00 C ATOM 933 C PRO A 374 13.220 -0.738 -14.345 1.00 0.00 C ATOM 934 O PRO A 374 14.281 -0.222 -14.637 1.00 0.00 O ATOM 935 CB PRO A 374 13.039 -3.153 -13.666 1.00 0.00 C ATOM 936 CG PRO A 374 12.133 -3.862 -12.713 1.00 0.00 C ATOM 937 CD PRO A 374 11.168 -2.817 -12.149 1.00 0.00 C ATOM 0 HA PRO A 374 13.975 -1.513 -12.537 1.00 0.00 H new ATOM 0 HB2 PRO A 374 12.651 -3.199 -14.684 1.00 0.00 H new ATOM 0 HB3 PRO A 374 14.028 -3.610 -13.681 1.00 0.00 H new ATOM 0 HG2 PRO A 374 11.587 -4.657 -13.220 1.00 0.00 H new ATOM 0 HG3 PRO A 374 12.706 -4.329 -11.912 1.00 0.00 H new ATOM 0 HD2 PRO A 374 10.189 -2.881 -12.625 1.00 0.00 H new ATOM 0 HD3 PRO A 374 11.012 -2.955 -11.079 1.00 0.00 H new ATOM 945 N GLU A 375 12.130 -0.470 -15.009 1.00 0.00 N ATOM 946 CA GLU A 375 12.168 0.484 -16.151 1.00 0.00 C ATOM 947 C GLU A 375 12.189 1.919 -15.616 1.00 0.00 C ATOM 948 O GLU A 375 12.788 2.801 -16.198 1.00 0.00 O ATOM 949 CB GLU A 375 10.935 0.280 -17.025 1.00 0.00 C ATOM 950 CG GLU A 375 9.694 0.487 -16.171 1.00 0.00 C ATOM 951 CD GLU A 375 8.440 0.254 -17.015 1.00 0.00 C ATOM 952 OE1 GLU A 375 8.581 0.058 -18.210 1.00 0.00 O ATOM 953 OE2 GLU A 375 7.358 0.275 -16.450 1.00 0.00 O ATOM 0 H GLU A 375 11.214 -0.871 -14.809 1.00 0.00 H new ATOM 0 HA GLU A 375 13.065 0.307 -16.745 1.00 0.00 H new ATOM 0 HB2 GLU A 375 10.942 0.982 -17.858 1.00 0.00 H new ATOM 0 HB3 GLU A 375 10.937 -0.722 -17.453 1.00 0.00 H new ATOM 0 HG2 GLU A 375 9.706 -0.199 -15.324 1.00 0.00 H new ATOM 0 HG3 GLU A 375 9.686 1.498 -15.763 1.00 0.00 H new ATOM 960 N CYS A 376 11.534 2.157 -14.511 1.00 0.00 N ATOM 961 CA CYS A 376 11.510 3.530 -13.933 1.00 0.00 C ATOM 962 C CYS A 376 12.931 3.954 -13.567 1.00 0.00 C ATOM 963 O CYS A 376 13.306 5.100 -13.714 1.00 0.00 O ATOM 964 CB CYS A 376 10.628 3.538 -12.683 1.00 0.00 C ATOM 965 SG CYS A 376 8.893 3.722 -13.174 1.00 0.00 S ATOM 0 H CYS A 376 11.013 1.457 -13.983 1.00 0.00 H new ATOM 0 HA CYS A 376 11.105 4.229 -14.665 1.00 0.00 H new ATOM 0 HB2 CYS A 376 10.763 2.613 -12.123 1.00 0.00 H new ATOM 0 HB3 CYS A 376 10.920 4.355 -12.023 1.00 0.00 H new ATOM 0 HG CYS A 376 8.197 2.738 -12.686 1.00 0.00 H new ATOM 970 N ARG A 377 13.725 3.038 -13.093 1.00 0.00 N ATOM 971 CA ARG A 377 15.123 3.384 -12.718 1.00 0.00 C ATOM 972 C ARG A 377 15.890 3.825 -13.966 1.00 0.00 C ATOM 973 O ARG A 377 16.859 4.553 -13.886 1.00 0.00 O ATOM 974 CB ARG A 377 15.795 2.157 -12.102 1.00 0.00 C ATOM 975 CG ARG A 377 15.030 1.755 -10.841 1.00 0.00 C ATOM 976 CD ARG A 377 15.776 0.632 -10.120 1.00 0.00 C ATOM 977 NE ARG A 377 15.972 -0.515 -11.051 1.00 0.00 N ATOM 978 CZ ARG A 377 16.122 -1.724 -10.579 1.00 0.00 C ATOM 979 NH1 ARG A 377 16.100 -1.928 -9.291 1.00 0.00 N ATOM 980 NH2 ARG A 377 16.295 -2.726 -11.395 1.00 0.00 N ATOM 0 H ARG A 377 13.466 2.062 -12.948 1.00 0.00 H new ATOM 0 HA ARG A 377 15.121 4.198 -11.993 1.00 0.00 H new ATOM 0 HB2 ARG A 377 15.804 1.334 -12.816 1.00 0.00 H new ATOM 0 HB3 ARG A 377 16.834 2.379 -11.858 1.00 0.00 H new ATOM 0 HG2 ARG A 377 14.922 2.615 -10.180 1.00 0.00 H new ATOM 0 HG3 ARG A 377 14.024 1.426 -11.104 1.00 0.00 H new ATOM 0 HD2 ARG A 377 16.741 0.993 -9.763 1.00 0.00 H new ATOM 0 HD3 ARG A 377 15.212 0.311 -9.244 1.00 0.00 H new ATOM 0 HE ARG A 377 15.989 -0.356 -12.058 1.00 0.00 H new ATOM 0 HH11 ARG A 377 15.966 -1.144 -8.653 1.00 0.00 H new ATOM 0 HH12 ARG A 377 16.217 -2.872 -8.922 1.00 0.00 H new ATOM 0 HH21 ARG A 377 16.313 -2.566 -12.402 1.00 0.00 H new ATOM 0 HH22 ARG A 377 16.412 -3.670 -11.026 1.00 0.00 H new ATOM 994 N ASN A 378 15.462 3.389 -15.120 1.00 0.00 N ATOM 995 CA ASN A 378 16.162 3.784 -16.374 1.00 0.00 C ATOM 996 C ASN A 378 17.638 3.390 -16.278 1.00 0.00 C ATOM 997 O ASN A 378 18.517 4.159 -16.615 1.00 0.00 O ATOM 998 CB ASN A 378 16.049 5.297 -16.566 1.00 0.00 C ATOM 999 CG ASN A 378 16.340 5.650 -18.027 1.00 0.00 C ATOM 1000 OD1 ASN A 378 16.583 4.778 -18.838 1.00 0.00 O ATOM 1001 ND2 ASN A 378 16.324 6.901 -18.399 1.00 0.00 N ATOM 0 H ASN A 378 14.657 2.776 -15.248 1.00 0.00 H new ATOM 0 HA ASN A 378 15.704 3.276 -17.223 1.00 0.00 H new ATOM 0 HB2 ASN A 378 15.050 5.635 -16.291 1.00 0.00 H new ATOM 0 HB3 ASN A 378 16.751 5.811 -15.910 1.00 0.00 H new ATOM 0 HD21 ASN A 378 16.515 7.147 -19.370 1.00 0.00 H new ATOM 0 HD22 ASN A 378 16.120 7.633 -17.718 1.00 0.00 H new ATOM 1008 N ASP A 379 17.917 2.200 -15.823 1.00 0.00 N ATOM 1009 CA ASP A 379 19.336 1.760 -15.707 1.00 0.00 C ATOM 1010 C ASP A 379 20.094 2.146 -16.978 1.00 0.00 C ATOM 1011 O ASP A 379 19.790 1.587 -18.019 1.00 0.00 O ATOM 1012 CB ASP A 379 19.388 0.243 -15.524 1.00 0.00 C ATOM 1013 CG ASP A 379 20.836 -0.195 -15.296 1.00 0.00 C ATOM 1014 OD1 ASP A 379 21.686 0.673 -15.188 1.00 0.00 O ATOM 1015 OD2 ASP A 379 21.070 -1.390 -15.232 1.00 0.00 O ATOM 1016 OXT ASP A 379 20.968 2.993 -16.889 1.00 0.00 O ATOM 0 H ASP A 379 17.224 1.513 -15.526 1.00 0.00 H new ATOM 0 HA ASP A 379 19.797 2.245 -14.846 1.00 0.00 H new ATOM 0 HB2 ASP A 379 18.770 -0.053 -14.676 1.00 0.00 H new ATOM 0 HB3 ASP A 379 18.981 -0.254 -16.404 1.00 0.00 H new ATOM 1022 N ALA B 383 7.016 8.033 -0.588 1.00 0.00 N ATOM 1023 CA ALA B 383 6.631 7.119 -1.701 1.00 0.00 C ATOM 1024 C ALA B 383 5.152 7.308 -2.030 1.00 0.00 C ATOM 1025 O ALA B 383 4.489 8.166 -1.481 1.00 0.00 O ATOM 1026 CB ALA B 383 6.869 5.668 -1.277 1.00 0.00 C ATOM 0 HA ALA B 383 7.234 7.349 -2.579 1.00 0.00 H new ATOM 0 HB1 ALA B 383 6.587 5.000 -2.091 1.00 0.00 H new ATOM 0 HB2 ALA B 383 7.923 5.527 -1.040 1.00 0.00 H new ATOM 0 HB3 ALA B 383 6.266 5.442 -0.398 1.00 0.00 H new ATOM 1034 N ARG B 384 4.629 6.505 -2.919 1.00 0.00 N ATOM 1035 CA ARG B 384 3.190 6.624 -3.284 1.00 0.00 C ATOM 1036 C ARG B 384 2.467 5.332 -2.908 1.00 0.00 C ATOM 1037 O ARG B 384 2.988 4.246 -3.065 1.00 0.00 O ATOM 1038 CB ARG B 384 3.051 6.859 -4.791 1.00 0.00 C ATOM 1039 CG ARG B 384 1.567 7.007 -5.143 1.00 0.00 C ATOM 1040 CD ARG B 384 1.407 7.192 -6.653 1.00 0.00 C ATOM 1041 NE ARG B 384 2.059 8.467 -7.068 1.00 0.00 N ATOM 1042 CZ ARG B 384 1.741 9.024 -8.205 1.00 0.00 C ATOM 1043 NH1 ARG B 384 0.866 8.456 -8.990 1.00 0.00 N ATOM 1044 NH2 ARG B 384 2.301 10.147 -8.560 1.00 0.00 N ATOM 0 H ARG B 384 5.140 5.770 -3.409 1.00 0.00 H new ATOM 0 HA ARG B 384 2.752 7.465 -2.747 1.00 0.00 H new ATOM 0 HB2 ARG B 384 3.598 7.756 -5.083 1.00 0.00 H new ATOM 0 HB3 ARG B 384 3.487 6.026 -5.343 1.00 0.00 H new ATOM 0 HG2 ARG B 384 1.017 6.125 -4.815 1.00 0.00 H new ATOM 0 HG3 ARG B 384 1.143 7.861 -4.616 1.00 0.00 H new ATOM 0 HD2 ARG B 384 1.856 6.352 -7.183 1.00 0.00 H new ATOM 0 HD3 ARG B 384 0.350 7.208 -6.918 1.00 0.00 H new ATOM 0 HE ARG B 384 2.754 8.904 -6.463 1.00 0.00 H new ATOM 0 HH11 ARG B 384 0.430 7.576 -8.715 1.00 0.00 H new ATOM 0 HH12 ARG B 384 0.619 8.892 -9.878 1.00 0.00 H new ATOM 0 HH21 ARG B 384 2.987 10.590 -7.949 1.00 0.00 H new ATOM 0 HH22 ARG B 384 2.053 10.582 -9.448 1.00 0.00 H new ATOM 1058 N THR B 385 1.267 5.443 -2.414 1.00 0.00 N ATOM 1059 CA THR B 385 0.506 4.225 -2.030 1.00 0.00 C ATOM 1060 C THR B 385 -0.972 4.590 -1.854 1.00 0.00 C ATOM 1061 O THR B 385 -1.424 4.917 -0.775 1.00 0.00 O ATOM 1062 CB THR B 385 1.071 3.662 -0.723 1.00 0.00 C ATOM 1063 OG1 THR B 385 2.383 4.171 -0.521 1.00 0.00 O ATOM 1064 CG2 THR B 385 1.123 2.136 -0.804 1.00 0.00 C ATOM 0 H THR B 385 0.780 6.326 -2.260 1.00 0.00 H new ATOM 0 HA THR B 385 0.598 3.468 -2.809 1.00 0.00 H new ATOM 0 HB THR B 385 0.432 3.958 0.109 1.00 0.00 H new ATOM 0 HG1 THR B 385 2.747 3.814 0.316 1.00 0.00 H new ATOM 0 HG21 THR B 385 1.525 1.736 0.127 1.00 0.00 H new ATOM 0 HG22 THR B 385 0.118 1.746 -0.962 1.00 0.00 H new ATOM 0 HG23 THR B 385 1.763 1.837 -1.634 1.00 0.00 H new ATOM 1072 N LYS B 386 -1.726 4.529 -2.916 1.00 0.00 N ATOM 1073 CA LYS B 386 -3.174 4.858 -2.833 1.00 0.00 C ATOM 1074 C LYS B 386 -3.825 3.908 -1.837 1.00 0.00 C ATOM 1075 O LYS B 386 -4.861 4.189 -1.266 1.00 0.00 O ATOM 1076 CB LYS B 386 -3.809 4.679 -4.215 1.00 0.00 C ATOM 1077 CG LYS B 386 -5.237 5.228 -4.214 1.00 0.00 C ATOM 1078 CD LYS B 386 -5.206 6.739 -4.460 1.00 0.00 C ATOM 1079 CE LYS B 386 -5.368 7.011 -5.955 1.00 0.00 C ATOM 1080 NZ LYS B 386 -4.470 6.102 -6.723 1.00 0.00 N ATOM 0 H LYS B 386 -1.397 4.263 -3.844 1.00 0.00 H new ATOM 0 HA LYS B 386 -3.315 5.889 -2.507 1.00 0.00 H new ATOM 0 HB2 LYS B 386 -3.213 5.196 -4.967 1.00 0.00 H new ATOM 0 HB3 LYS B 386 -3.817 3.623 -4.486 1.00 0.00 H new ATOM 0 HG2 LYS B 386 -5.827 4.736 -4.987 1.00 0.00 H new ATOM 0 HG3 LYS B 386 -5.719 5.014 -3.260 1.00 0.00 H new ATOM 0 HD2 LYS B 386 -6.005 7.226 -3.901 1.00 0.00 H new ATOM 0 HD3 LYS B 386 -4.265 7.158 -4.102 1.00 0.00 H new ATOM 0 HE2 LYS B 386 -6.404 6.855 -6.254 1.00 0.00 H new ATOM 0 HE3 LYS B 386 -5.126 8.051 -6.175 1.00 0.00 H new ATOM 0 HZ1 LYS B 386 -4.541 6.320 -7.737 1.00 0.00 H new ATOM 0 HZ2 LYS B 386 -3.488 6.236 -6.408 1.00 0.00 H new ATOM 0 HZ3 LYS B 386 -4.754 5.115 -6.560 1.00 0.00 H new ATOM 1094 N GLN B 387 -3.218 2.774 -1.638 1.00 0.00 N ATOM 1095 CA GLN B 387 -3.778 1.772 -0.696 1.00 0.00 C ATOM 1096 C GLN B 387 -3.998 2.409 0.680 1.00 0.00 C ATOM 1097 O GLN B 387 -4.882 2.023 1.416 1.00 0.00 O ATOM 1098 CB GLN B 387 -2.799 0.605 -0.550 1.00 0.00 C ATOM 1099 CG GLN B 387 -2.768 -0.235 -1.832 1.00 0.00 C ATOM 1100 CD GLN B 387 -2.895 0.667 -3.061 1.00 0.00 C ATOM 1101 OE1 GLN B 387 -1.911 1.182 -3.555 1.00 0.00 O ATOM 1102 NE2 GLN B 387 -4.073 0.884 -3.578 1.00 0.00 N ATOM 0 H GLN B 387 -2.348 2.497 -2.093 1.00 0.00 H new ATOM 0 HA GLN B 387 -4.730 1.414 -1.088 1.00 0.00 H new ATOM 0 HB2 GLN B 387 -1.801 0.985 -0.333 1.00 0.00 H new ATOM 0 HB3 GLN B 387 -3.092 -0.020 0.294 1.00 0.00 H new ATOM 0 HG2 GLN B 387 -1.837 -0.800 -1.882 1.00 0.00 H new ATOM 0 HG3 GLN B 387 -3.581 -0.960 -1.819 1.00 0.00 H new ATOM 0 HE21 GLN B 387 -4.899 0.452 -3.164 1.00 0.00 H new ATOM 0 HE22 GLN B 387 -4.168 1.486 -4.396 1.00 0.00 H new ATOM 1111 N THR B 388 -3.193 3.372 1.039 1.00 0.00 N ATOM 1112 CA THR B 388 -3.355 4.015 2.374 1.00 0.00 C ATOM 1113 C THR B 388 -4.796 4.501 2.543 1.00 0.00 C ATOM 1114 O THR B 388 -5.326 4.524 3.635 1.00 0.00 O ATOM 1115 CB THR B 388 -2.396 5.203 2.491 1.00 0.00 C ATOM 1116 OG1 THR B 388 -2.723 6.171 1.505 1.00 0.00 O ATOM 1117 CG2 THR B 388 -0.960 4.721 2.286 1.00 0.00 C ATOM 0 H THR B 388 -2.433 3.740 0.468 1.00 0.00 H new ATOM 0 HA THR B 388 -3.128 3.287 3.153 1.00 0.00 H new ATOM 0 HB THR B 388 -2.487 5.651 3.481 1.00 0.00 H new ATOM 0 HG1 THR B 388 -2.362 5.890 0.638 1.00 0.00 H new ATOM 0 HG21 THR B 388 -0.277 5.566 2.369 1.00 0.00 H new ATOM 0 HG22 THR B 388 -0.713 3.979 3.046 1.00 0.00 H new ATOM 0 HG23 THR B 388 -0.864 4.273 1.297 1.00 0.00 H new ATOM 1125 N ALA B 389 -5.438 4.883 1.474 1.00 0.00 N ATOM 1126 CA ALA B 389 -6.846 5.356 1.589 1.00 0.00 C ATOM 1127 C ALA B 389 -7.694 4.250 2.223 1.00 0.00 C ATOM 1128 O ALA B 389 -7.443 3.077 2.024 1.00 0.00 O ATOM 1129 CB ALA B 389 -7.391 5.685 0.197 1.00 0.00 C ATOM 0 H ALA B 389 -5.051 4.888 0.530 1.00 0.00 H new ATOM 0 HA ALA B 389 -6.884 6.251 2.210 1.00 0.00 H new ATOM 0 HB1 ALA B 389 -8.421 6.031 0.282 1.00 0.00 H new ATOM 0 HB2 ALA B 389 -6.782 6.467 -0.257 1.00 0.00 H new ATOM 0 HB3 ALA B 389 -7.359 4.792 -0.427 1.00 0.00 H new ATOM 1135 N ARG B 390 -8.691 4.611 2.987 1.00 0.00 N ATOM 1136 CA ARG B 390 -9.548 3.576 3.638 1.00 0.00 C ATOM 1137 C ARG B 390 -10.962 3.639 3.058 1.00 0.00 C ATOM 1138 O ARG B 390 -11.539 4.698 2.916 1.00 0.00 O ATOM 1139 CB ARG B 390 -9.607 3.842 5.143 1.00 0.00 C ATOM 1140 CG ARG B 390 -10.330 5.167 5.398 1.00 0.00 C ATOM 1141 CD ARG B 390 -10.157 5.571 6.863 1.00 0.00 C ATOM 1142 NE ARG B 390 -10.954 6.799 7.135 1.00 0.00 N ATOM 1143 CZ ARG B 390 -10.472 7.972 6.827 1.00 0.00 C ATOM 1144 NH1 ARG B 390 -9.290 8.069 6.283 1.00 0.00 N ATOM 1145 NH2 ARG B 390 -11.171 9.048 7.063 1.00 0.00 N ATOM 0 H ARG B 390 -8.949 5.577 3.188 1.00 0.00 H new ATOM 0 HA ARG B 390 -9.125 2.588 3.454 1.00 0.00 H new ATOM 0 HB2 ARG B 390 -10.128 3.028 5.647 1.00 0.00 H new ATOM 0 HB3 ARG B 390 -8.599 3.880 5.556 1.00 0.00 H new ATOM 0 HG2 ARG B 390 -9.929 5.943 4.746 1.00 0.00 H new ATOM 0 HG3 ARG B 390 -11.389 5.067 5.160 1.00 0.00 H new ATOM 0 HD2 ARG B 390 -10.482 4.761 7.516 1.00 0.00 H new ATOM 0 HD3 ARG B 390 -9.104 5.752 7.080 1.00 0.00 H new ATOM 0 HE ARG B 390 -11.877 6.723 7.562 1.00 0.00 H new ATOM 0 HH11 ARG B 390 -8.743 7.228 6.099 1.00 0.00 H new ATOM 0 HH12 ARG B 390 -8.913 8.986 6.042 1.00 0.00 H new ATOM 0 HH21 ARG B 390 -12.095 8.973 7.489 1.00 0.00 H new ATOM 0 HH22 ARG B 390 -10.794 9.964 6.822 1.00 0.00 H new ATOM 1159 N LYS B 391 -11.525 2.508 2.726 1.00 0.00 N ATOM 1160 CA LYS B 391 -12.904 2.490 2.156 1.00 0.00 C ATOM 1161 C LYS B 391 -13.700 1.350 2.795 1.00 0.00 C ATOM 1162 O LYS B 391 -14.008 1.376 3.970 1.00 0.00 O ATOM 1163 CB LYS B 391 -12.831 2.266 0.641 1.00 0.00 C ATOM 1164 CG LYS B 391 -11.952 3.337 -0.017 1.00 0.00 C ATOM 1165 CD LYS B 391 -12.673 4.689 -0.004 1.00 0.00 C ATOM 1166 CE LYS B 391 -11.918 5.677 -0.895 1.00 0.00 C ATOM 1167 NZ LYS B 391 -11.760 5.096 -2.258 1.00 0.00 N ATOM 0 H LYS B 391 -11.087 1.592 2.825 1.00 0.00 H new ATOM 0 HA LYS B 391 -13.393 3.442 2.360 1.00 0.00 H new ATOM 0 HB2 LYS B 391 -12.426 1.276 0.433 1.00 0.00 H new ATOM 0 HB3 LYS B 391 -13.833 2.297 0.214 1.00 0.00 H new ATOM 0 HG2 LYS B 391 -11.003 3.417 0.514 1.00 0.00 H new ATOM 0 HG3 LYS B 391 -11.720 3.049 -1.042 1.00 0.00 H new ATOM 0 HD2 LYS B 391 -13.697 4.571 -0.359 1.00 0.00 H new ATOM 0 HD3 LYS B 391 -12.731 5.072 1.015 1.00 0.00 H new ATOM 0 HE2 LYS B 391 -12.461 6.621 -0.951 1.00 0.00 H new ATOM 0 HE3 LYS B 391 -10.940 5.896 -0.466 1.00 0.00 H new ATOM 0 HZ1 LYS B 391 -11.566 5.857 -2.940 1.00 0.00 H new ATOM 0 HZ2 LYS B 391 -10.968 4.421 -2.258 1.00 0.00 H new ATOM 0 HZ3 LYS B 391 -12.635 4.603 -2.529 1.00 0.00 H new ATOM 1181 N SER B 392 -14.031 0.347 2.028 1.00 0.00 N ATOM 1182 CA SER B 392 -14.804 -0.797 2.588 1.00 0.00 C ATOM 1183 C SER B 392 -13.983 -1.459 3.691 1.00 0.00 C ATOM 1184 O SER B 392 -14.506 -1.878 4.704 1.00 0.00 O ATOM 1185 CB SER B 392 -15.088 -1.814 1.480 1.00 0.00 C ATOM 1186 OG SER B 392 -13.867 -2.417 1.074 1.00 0.00 O ATOM 0 H SER B 392 -13.799 0.271 1.038 1.00 0.00 H new ATOM 0 HA SER B 392 -15.749 -0.439 2.997 1.00 0.00 H new ATOM 0 HB2 SER B 392 -15.782 -2.575 1.838 1.00 0.00 H new ATOM 0 HB3 SER B 392 -15.564 -1.322 0.632 1.00 0.00 H new ATOM 0 HG SER B 392 -13.553 -1.996 0.247 1.00 0.00 H new