USER MOD reduce.3.24.130724 H: found=0, std=0, add=559, rem=0, adj=25 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 346 CYS SG : rot -137:sc= -0.486 USER MOD Set 1.2: A 349 CYS SG : rot 127:sc= 0.6 USER MOD Set 1.3: A 373 CYS SG : rot 67:sc= 0.931 USER MOD Set 1.4: A 376 CYS SG : rot 122:sc= -4.34! USER MOD Set 2.1: A 331 CYS SG : rot 179:sc= -5.08! USER MOD Set 2.2: A 334 CYS SG : rot 69:sc= 0.729 USER MOD Set 2.3: A 343 GLN : amide:sc= -5.26! C(o=-15!,f=-3.8!) USER MOD Set 2.4: A 354 HIS : no HE2:sc= -3.84! C(o=-15!,f=-3.8!) USER MOD Set 2.5: A 357 CYS SG : rot -135:sc= -1.96! USER MOD Set 3.1: A 315 CYS SG : rot -122:sc= -1.76! USER MOD Set 3.2: A 318 CYS SG : rot -124:sc= -1.37 USER MOD Set 3.3: A 326 CYS SG : rot -105:sc= -1.14! USER MOD Set 3.4: A 329 CYS SG : rot 124:sc= 0.366 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=-0.034) USER MOD Single : A 319 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 323 ASN : amide:sc= -0.367 X(o=-0.37,f=0) USER MOD Single : A 332 HIS : no HD1:sc= -1.32 K(o=-1.3,f=-0.51) USER MOD Single : A 338 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 342 LYS NZ :NH3+ 166:sc= 0.883 (180deg=0.511) USER MOD Single : A 345 MET CE :methyl -161:sc= -1.82 (180deg=-3.68!) USER MOD Single : A 351 MET CE :methyl -157:sc= -0.296 (180deg=-1.73!) USER MOD Single : A 356 TYR OH : rot 110:sc= 1.09 USER MOD Single : A 363 SER OG : rot 180:sc= 0 USER MOD Single : A 364 SER OG : rot 180:sc= 0 USER MOD Single : A 367 SER OG : rot 180:sc= 0 USER MOD Single : A 372 TYR OH : rot 30:sc= -0.629 USER MOD Single : A 378 ASN : amide:sc= -0.12 K(o=-0.12,f=-2.2!) USER MOD Single : B 385 THR OG1 : rot 100:sc= -3.53! USER MOD Single : B 386 LYS NZ :NH3+ -142:sc= -2.29 (180deg=-6.46!) USER MOD Single : B 387 GLN : amide:sc= -0.196 K(o=-0.2,f=-0.71) USER MOD Single : B 388 THR OG1 : rot 180:sc=-0.00346 USER MOD Single : B 391 LYS NZ :NH3+ 151:sc= -0.558 (180deg=-1.06) USER MOD Single : B 392 SER OG : rot 150:sc= -1.54 USER MOD ----------------------------------------------------------------- ATOM 46 N CYS A 315 -5.042 7.883 -14.384 1.00 0.00 N ATOM 47 CA CYS A 315 -6.265 7.085 -14.680 1.00 0.00 C ATOM 48 C CYS A 315 -7.358 8.014 -15.215 1.00 0.00 C ATOM 49 O CYS A 315 -8.416 8.141 -14.631 1.00 0.00 O ATOM 50 CB CYS A 315 -6.753 6.405 -13.398 1.00 0.00 C ATOM 51 SG CYS A 315 -7.925 5.085 -13.817 1.00 0.00 S ATOM 0 HA CYS A 315 -6.035 6.325 -15.427 1.00 0.00 H new ATOM 0 HB2 CYS A 315 -5.907 5.993 -12.848 1.00 0.00 H new ATOM 0 HB3 CYS A 315 -7.231 7.136 -12.746 1.00 0.00 H new ATOM 0 HG CYS A 315 -9.063 5.313 -13.231 1.00 0.00 H new ATOM 56 N LYS A 316 -7.112 8.661 -16.322 1.00 0.00 N ATOM 57 CA LYS A 316 -8.143 9.576 -16.890 1.00 0.00 C ATOM 58 C LYS A 316 -9.416 8.779 -17.172 1.00 0.00 C ATOM 59 O LYS A 316 -10.516 9.280 -17.057 1.00 0.00 O ATOM 60 CB LYS A 316 -7.618 10.199 -18.184 1.00 0.00 C ATOM 61 CG LYS A 316 -7.510 9.117 -19.250 1.00 0.00 C ATOM 62 CD LYS A 316 -6.828 9.687 -20.494 1.00 0.00 C ATOM 63 CE LYS A 316 -7.013 8.722 -21.666 1.00 0.00 C ATOM 64 NZ LYS A 316 -8.263 9.066 -22.401 1.00 0.00 N ATOM 0 H LYS A 316 -6.245 8.596 -16.856 1.00 0.00 H new ATOM 0 HA LYS A 316 -8.364 10.372 -16.179 1.00 0.00 H new ATOM 0 HB2 LYS A 316 -8.288 10.991 -18.519 1.00 0.00 H new ATOM 0 HB3 LYS A 316 -6.644 10.657 -18.013 1.00 0.00 H new ATOM 0 HG2 LYS A 316 -6.940 8.271 -18.867 1.00 0.00 H new ATOM 0 HG3 LYS A 316 -8.502 8.744 -19.506 1.00 0.00 H new ATOM 0 HD2 LYS A 316 -7.252 10.660 -20.740 1.00 0.00 H new ATOM 0 HD3 LYS A 316 -5.766 9.842 -20.301 1.00 0.00 H new ATOM 0 HE2 LYS A 316 -6.156 8.780 -22.337 1.00 0.00 H new ATOM 0 HE3 LYS A 316 -7.064 7.696 -21.302 1.00 0.00 H new ATOM 0 HZ1 LYS A 316 -8.389 8.410 -23.198 1.00 0.00 H new ATOM 0 HZ2 LYS A 316 -9.076 8.989 -21.758 1.00 0.00 H new ATOM 0 HZ3 LYS A 316 -8.197 10.039 -22.761 1.00 0.00 H new ATOM 78 N HIS A 317 -9.269 7.533 -17.526 1.00 0.00 N ATOM 79 CA HIS A 317 -10.460 6.687 -17.801 1.00 0.00 C ATOM 80 C HIS A 317 -11.311 6.630 -16.538 1.00 0.00 C ATOM 81 O HIS A 317 -12.519 6.501 -16.586 1.00 0.00 O ATOM 82 CB HIS A 317 -10.006 5.273 -18.173 1.00 0.00 C ATOM 83 CG HIS A 317 -11.193 4.467 -18.623 1.00 0.00 C ATOM 84 ND1 HIS A 317 -11.892 4.764 -19.785 1.00 0.00 N ATOM 85 CD2 HIS A 317 -11.816 3.371 -18.080 1.00 0.00 C ATOM 86 CE1 HIS A 317 -12.887 3.865 -19.901 1.00 0.00 C ATOM 87 NE2 HIS A 317 -12.883 2.996 -18.889 1.00 0.00 N ATOM 0 H HIS A 317 -8.370 7.063 -17.637 1.00 0.00 H new ATOM 0 HA HIS A 317 -11.037 7.106 -18.625 1.00 0.00 H new ATOM 0 HB2 HIS A 317 -9.260 5.316 -18.967 1.00 0.00 H new ATOM 0 HB3 HIS A 317 -9.532 4.795 -17.316 1.00 0.00 H new ATOM 0 HD2 HIS A 317 -11.523 2.876 -17.166 1.00 0.00 H new ATOM 0 HE1 HIS A 317 -13.600 3.849 -20.712 1.00 0.00 H new ATOM 0 HE2 HIS A 317 -13.527 2.219 -18.740 1.00 0.00 H new ATOM 96 N CYS A 318 -10.679 6.736 -15.405 1.00 0.00 N ATOM 97 CA CYS A 318 -11.419 6.702 -14.121 1.00 0.00 C ATOM 98 C CYS A 318 -10.566 7.383 -13.059 1.00 0.00 C ATOM 99 O CYS A 318 -9.510 6.908 -12.692 1.00 0.00 O ATOM 100 CB CYS A 318 -11.682 5.256 -13.704 1.00 0.00 C ATOM 101 SG CYS A 318 -11.205 5.052 -11.970 1.00 0.00 S ATOM 0 H CYS A 318 -9.669 6.846 -15.316 1.00 0.00 H new ATOM 0 HA CYS A 318 -12.374 7.215 -14.233 1.00 0.00 H new ATOM 0 HB2 CYS A 318 -12.736 5.011 -13.837 1.00 0.00 H new ATOM 0 HB3 CYS A 318 -11.114 4.572 -14.335 1.00 0.00 H new ATOM 0 HG CYS A 318 -10.336 4.091 -11.869 1.00 0.00 H new ATOM 106 N LYS A 319 -11.009 8.496 -12.574 1.00 0.00 N ATOM 107 CA LYS A 319 -10.232 9.224 -11.545 1.00 0.00 C ATOM 108 C LYS A 319 -10.423 8.545 -10.194 1.00 0.00 C ATOM 109 O LYS A 319 -9.941 9.012 -9.184 1.00 0.00 O ATOM 110 CB LYS A 319 -10.745 10.650 -11.509 1.00 0.00 C ATOM 111 CG LYS A 319 -10.517 11.256 -12.889 1.00 0.00 C ATOM 112 CD LYS A 319 -11.097 12.662 -12.935 1.00 0.00 C ATOM 113 CE LYS A 319 -10.886 13.253 -14.329 1.00 0.00 C ATOM 114 NZ LYS A 319 -11.802 14.413 -14.521 1.00 0.00 N ATOM 0 H LYS A 319 -11.886 8.940 -12.848 1.00 0.00 H new ATOM 0 HA LYS A 319 -9.167 9.220 -11.777 1.00 0.00 H new ATOM 0 HB2 LYS A 319 -11.804 10.670 -11.252 1.00 0.00 H new ATOM 0 HB3 LYS A 319 -10.221 11.226 -10.746 1.00 0.00 H new ATOM 0 HG2 LYS A 319 -9.450 11.285 -13.112 1.00 0.00 H new ATOM 0 HG3 LYS A 319 -10.986 10.634 -13.652 1.00 0.00 H new ATOM 0 HD2 LYS A 319 -12.160 12.637 -12.696 1.00 0.00 H new ATOM 0 HD3 LYS A 319 -10.616 13.290 -12.185 1.00 0.00 H new ATOM 0 HE2 LYS A 319 -9.850 13.570 -14.448 1.00 0.00 H new ATOM 0 HE3 LYS A 319 -11.077 12.496 -15.089 1.00 0.00 H new ATOM 0 HZ1 LYS A 319 -11.659 14.815 -15.469 1.00 0.00 H new ATOM 0 HZ2 LYS A 319 -12.788 14.096 -14.425 1.00 0.00 H new ATOM 0 HZ3 LYS A 319 -11.599 15.138 -13.803 1.00 0.00 H new ATOM 128 N ASP A 320 -11.123 7.438 -10.194 1.00 0.00 N ATOM 129 CA ASP A 320 -11.375 6.665 -8.939 1.00 0.00 C ATOM 130 C ASP A 320 -12.692 7.114 -8.305 1.00 0.00 C ATOM 131 O ASP A 320 -12.710 7.838 -7.331 1.00 0.00 O ATOM 132 CB ASP A 320 -10.228 6.858 -7.938 1.00 0.00 C ATOM 133 CG ASP A 320 -10.184 5.668 -6.978 1.00 0.00 C ATOM 134 OD1 ASP A 320 -11.034 4.801 -7.096 1.00 0.00 O ATOM 135 OD2 ASP A 320 -9.299 5.644 -6.138 1.00 0.00 O ATOM 0 H ASP A 320 -11.540 7.029 -11.030 1.00 0.00 H new ATOM 0 HA ASP A 320 -11.437 5.608 -9.196 1.00 0.00 H new ATOM 0 HB2 ASP A 320 -9.280 6.947 -8.468 1.00 0.00 H new ATOM 0 HB3 ASP A 320 -10.369 7.784 -7.380 1.00 0.00 H new ATOM 140 N ASP A 321 -13.797 6.681 -8.850 1.00 0.00 N ATOM 141 CA ASP A 321 -15.115 7.075 -8.277 1.00 0.00 C ATOM 142 C ASP A 321 -15.285 6.424 -6.902 1.00 0.00 C ATOM 143 O ASP A 321 -14.867 5.305 -6.677 1.00 0.00 O ATOM 144 CB ASP A 321 -16.237 6.612 -9.208 1.00 0.00 C ATOM 145 CG ASP A 321 -16.154 7.380 -10.528 1.00 0.00 C ATOM 146 OD1 ASP A 321 -15.432 8.361 -10.575 1.00 0.00 O ATOM 147 OD2 ASP A 321 -16.815 6.972 -11.469 1.00 0.00 O ATOM 0 H ASP A 321 -13.843 6.072 -9.667 1.00 0.00 H new ATOM 0 HA ASP A 321 -15.159 8.159 -8.173 1.00 0.00 H new ATOM 0 HB2 ASP A 321 -16.152 5.541 -9.392 1.00 0.00 H new ATOM 0 HB3 ASP A 321 -17.206 6.779 -8.738 1.00 0.00 H new ATOM 152 N VAL A 322 -15.898 7.116 -5.983 1.00 0.00 N ATOM 153 CA VAL A 322 -16.099 6.544 -4.623 1.00 0.00 C ATOM 154 C VAL A 322 -17.085 5.380 -4.697 1.00 0.00 C ATOM 155 O VAL A 322 -16.956 4.391 -4.006 1.00 0.00 O ATOM 156 CB VAL A 322 -16.664 7.629 -3.699 1.00 0.00 C ATOM 157 CG1 VAL A 322 -17.085 7.007 -2.366 1.00 0.00 C ATOM 158 CG2 VAL A 322 -15.593 8.691 -3.447 1.00 0.00 C ATOM 0 H VAL A 322 -16.270 8.057 -6.116 1.00 0.00 H new ATOM 0 HA VAL A 322 -15.146 6.186 -4.234 1.00 0.00 H new ATOM 0 HB VAL A 322 -17.532 8.088 -4.173 1.00 0.00 H new ATOM 0 HG11 VAL A 322 -17.486 7.782 -1.713 1.00 0.00 H new ATOM 0 HG12 VAL A 322 -17.850 6.251 -2.543 1.00 0.00 H new ATOM 0 HG13 VAL A 322 -16.220 6.544 -1.891 1.00 0.00 H new ATOM 0 HG21 VAL A 322 -15.994 9.463 -2.790 1.00 0.00 H new ATOM 0 HG22 VAL A 322 -14.726 8.228 -2.976 1.00 0.00 H new ATOM 0 HG23 VAL A 322 -15.295 9.140 -4.395 1.00 0.00 H new ATOM 168 N ASN A 323 -18.076 5.503 -5.525 1.00 0.00 N ATOM 169 CA ASN A 323 -19.090 4.425 -5.649 1.00 0.00 C ATOM 170 C ASN A 323 -18.498 3.222 -6.380 1.00 0.00 C ATOM 171 O ASN A 323 -18.884 2.094 -6.145 1.00 0.00 O ATOM 172 CB ASN A 323 -20.279 4.962 -6.436 1.00 0.00 C ATOM 173 CG ASN A 323 -20.931 6.109 -5.662 1.00 0.00 C ATOM 174 OD1 ASN A 323 -21.245 7.138 -6.227 1.00 0.00 O ATOM 175 ND2 ASN A 323 -21.149 5.976 -4.382 1.00 0.00 N ATOM 0 H ASN A 323 -18.230 6.311 -6.128 1.00 0.00 H new ATOM 0 HA ASN A 323 -19.406 4.108 -4.655 1.00 0.00 H new ATOM 0 HB2 ASN A 323 -19.952 5.311 -7.416 1.00 0.00 H new ATOM 0 HB3 ASN A 323 -21.004 4.166 -6.607 1.00 0.00 H new ATOM 0 HD21 ASN A 323 -21.583 6.735 -3.857 1.00 0.00 H new ATOM 0 HD22 ASN A 323 -20.886 5.113 -3.907 1.00 0.00 H new ATOM 182 N ARG A 324 -17.588 3.456 -7.286 1.00 0.00 N ATOM 183 CA ARG A 324 -16.994 2.328 -8.057 1.00 0.00 C ATOM 184 C ARG A 324 -15.472 2.303 -7.894 1.00 0.00 C ATOM 185 O ARG A 324 -14.812 3.323 -7.939 1.00 0.00 O ATOM 186 CB ARG A 324 -17.341 2.517 -9.532 1.00 0.00 C ATOM 187 CG ARG A 324 -18.851 2.367 -9.725 1.00 0.00 C ATOM 188 CD ARG A 324 -19.194 2.515 -11.208 1.00 0.00 C ATOM 189 NE ARG A 324 -18.665 1.342 -11.959 1.00 0.00 N ATOM 190 CZ ARG A 324 -19.077 1.107 -13.176 1.00 0.00 C ATOM 191 NH1 ARG A 324 -19.950 1.900 -13.733 1.00 0.00 N ATOM 192 NH2 ARG A 324 -18.615 0.080 -13.834 1.00 0.00 N ATOM 0 H ARG A 324 -17.230 4.381 -7.525 1.00 0.00 H new ATOM 0 HA ARG A 324 -17.395 1.386 -7.684 1.00 0.00 H new ATOM 0 HB2 ARG A 324 -17.017 3.501 -9.869 1.00 0.00 H new ATOM 0 HB3 ARG A 324 -16.812 1.782 -10.138 1.00 0.00 H new ATOM 0 HG2 ARG A 324 -19.180 1.394 -9.360 1.00 0.00 H new ATOM 0 HG3 ARG A 324 -19.379 3.121 -9.142 1.00 0.00 H new ATOM 0 HD2 ARG A 324 -20.274 2.586 -11.337 1.00 0.00 H new ATOM 0 HD3 ARG A 324 -18.764 3.436 -11.602 1.00 0.00 H new ATOM 0 HE ARG A 324 -17.982 0.723 -11.523 1.00 0.00 H new ATOM 0 HH11 ARG A 324 -20.311 2.703 -13.218 1.00 0.00 H new ATOM 0 HH12 ARG A 324 -20.272 1.717 -14.683 1.00 0.00 H new ATOM 0 HH21 ARG A 324 -17.932 -0.540 -13.398 1.00 0.00 H new ATOM 0 HH22 ARG A 324 -18.937 -0.104 -14.784 1.00 0.00 H new ATOM 206 N LEU A 325 -14.911 1.135 -7.718 1.00 0.00 N ATOM 207 CA LEU A 325 -13.436 1.022 -7.567 1.00 0.00 C ATOM 208 C LEU A 325 -12.851 0.500 -8.885 1.00 0.00 C ATOM 209 O LEU A 325 -13.442 -0.344 -9.531 1.00 0.00 O ATOM 210 CB LEU A 325 -13.112 0.052 -6.433 1.00 0.00 C ATOM 211 CG LEU A 325 -11.662 0.256 -6.009 1.00 0.00 C ATOM 212 CD1 LEU A 325 -11.586 1.358 -4.951 1.00 0.00 C ATOM 213 CD2 LEU A 325 -11.105 -1.049 -5.436 1.00 0.00 C ATOM 0 H LEU A 325 -15.418 0.251 -7.673 1.00 0.00 H new ATOM 0 HA LEU A 325 -13.005 1.995 -7.331 1.00 0.00 H new ATOM 0 HB2 LEU A 325 -13.779 0.223 -5.588 1.00 0.00 H new ATOM 0 HB3 LEU A 325 -13.268 -0.976 -6.760 1.00 0.00 H new ATOM 0 HG LEU A 325 -11.070 0.549 -6.876 1.00 0.00 H new ATOM 0 HD11 LEU A 325 -10.548 1.502 -4.649 1.00 0.00 H new ATOM 0 HD12 LEU A 325 -11.976 2.288 -5.365 1.00 0.00 H new ATOM 0 HD13 LEU A 325 -12.180 1.071 -4.083 1.00 0.00 H new ATOM 0 HD21 LEU A 325 -10.068 -0.900 -5.134 1.00 0.00 H new ATOM 0 HD22 LEU A 325 -11.696 -1.348 -4.570 1.00 0.00 H new ATOM 0 HD23 LEU A 325 -11.153 -1.830 -6.195 1.00 0.00 H new ATOM 225 N CYS A 326 -11.716 1.004 -9.306 1.00 0.00 N ATOM 226 CA CYS A 326 -11.131 0.539 -10.601 1.00 0.00 C ATOM 227 C CYS A 326 -9.758 -0.111 -10.396 1.00 0.00 C ATOM 228 O CYS A 326 -9.051 0.171 -9.451 1.00 0.00 O ATOM 229 CB CYS A 326 -10.995 1.727 -11.543 1.00 0.00 C ATOM 230 SG CYS A 326 -9.250 2.040 -11.890 1.00 0.00 S ATOM 0 H CYS A 326 -11.173 1.712 -8.812 1.00 0.00 H new ATOM 0 HA CYS A 326 -11.797 -0.210 -11.029 1.00 0.00 H new ATOM 0 HB2 CYS A 326 -11.530 1.529 -12.472 1.00 0.00 H new ATOM 0 HB3 CYS A 326 -11.450 2.611 -11.096 1.00 0.00 H new ATOM 0 HG CYS A 326 -8.860 3.095 -11.238 1.00 0.00 H new ATOM 235 N ARG A 327 -9.398 -0.996 -11.289 1.00 0.00 N ATOM 236 CA ARG A 327 -8.092 -1.714 -11.190 1.00 0.00 C ATOM 237 C ARG A 327 -6.911 -0.737 -11.254 1.00 0.00 C ATOM 238 O ARG A 327 -5.940 -0.889 -10.541 1.00 0.00 O ATOM 239 CB ARG A 327 -7.998 -2.702 -12.353 1.00 0.00 C ATOM 240 CG ARG A 327 -9.122 -3.732 -12.228 1.00 0.00 C ATOM 241 CD ARG A 327 -9.058 -4.711 -13.400 1.00 0.00 C ATOM 242 NE ARG A 327 -10.233 -5.627 -13.342 1.00 0.00 N ATOM 243 CZ ARG A 327 -10.522 -6.383 -14.365 1.00 0.00 C ATOM 244 NH1 ARG A 327 -9.783 -6.337 -15.440 1.00 0.00 N ATOM 245 NH2 ARG A 327 -11.549 -7.185 -14.314 1.00 0.00 N ATOM 0 H ARG A 327 -9.964 -1.256 -12.097 1.00 0.00 H new ATOM 0 HA ARG A 327 -8.045 -2.233 -10.233 1.00 0.00 H new ATOM 0 HB2 ARG A 327 -8.077 -2.173 -13.303 1.00 0.00 H new ATOM 0 HB3 ARG A 327 -7.029 -3.201 -12.345 1.00 0.00 H new ATOM 0 HG2 ARG A 327 -9.030 -4.272 -11.286 1.00 0.00 H new ATOM 0 HG3 ARG A 327 -10.089 -3.229 -12.214 1.00 0.00 H new ATOM 0 HD2 ARG A 327 -9.053 -4.166 -14.344 1.00 0.00 H new ATOM 0 HD3 ARG A 327 -8.132 -5.285 -13.359 1.00 0.00 H new ATOM 0 HE ARG A 327 -10.811 -5.663 -12.502 1.00 0.00 H new ATOM 0 HH11 ARG A 327 -8.980 -5.710 -15.480 1.00 0.00 H new ATOM 0 HH12 ARG A 327 -10.009 -6.928 -16.240 1.00 0.00 H new ATOM 0 HH21 ARG A 327 -12.127 -7.221 -13.474 1.00 0.00 H new ATOM 0 HH22 ARG A 327 -11.775 -7.776 -15.114 1.00 0.00 H new ATOM 259 N VAL A 328 -6.972 0.256 -12.099 1.00 0.00 N ATOM 260 CA VAL A 328 -5.833 1.217 -12.185 1.00 0.00 C ATOM 261 C VAL A 328 -5.675 1.914 -10.838 1.00 0.00 C ATOM 262 O VAL A 328 -4.580 2.121 -10.354 1.00 0.00 O ATOM 263 CB VAL A 328 -6.103 2.255 -13.278 1.00 0.00 C ATOM 264 CG1 VAL A 328 -5.027 3.341 -13.233 1.00 0.00 C ATOM 265 CG2 VAL A 328 -6.075 1.570 -14.646 1.00 0.00 C ATOM 0 H VAL A 328 -7.753 0.443 -12.728 1.00 0.00 H new ATOM 0 HA VAL A 328 -4.918 0.679 -12.434 1.00 0.00 H new ATOM 0 HB VAL A 328 -7.081 2.707 -13.114 1.00 0.00 H new ATOM 0 HG11 VAL A 328 -5.221 4.078 -14.012 1.00 0.00 H new ATOM 0 HG12 VAL A 328 -5.043 3.829 -12.259 1.00 0.00 H new ATOM 0 HG13 VAL A 328 -4.048 2.890 -13.396 1.00 0.00 H new ATOM 0 HG21 VAL A 328 -6.267 2.307 -15.426 1.00 0.00 H new ATOM 0 HG22 VAL A 328 -5.096 1.118 -14.807 1.00 0.00 H new ATOM 0 HG23 VAL A 328 -6.842 0.796 -14.681 1.00 0.00 H new ATOM 275 N CYS A 329 -6.768 2.259 -10.224 1.00 0.00 N ATOM 276 CA CYS A 329 -6.708 2.923 -8.898 1.00 0.00 C ATOM 277 C CYS A 329 -6.773 1.845 -7.821 1.00 0.00 C ATOM 278 O CYS A 329 -6.769 2.129 -6.640 1.00 0.00 O ATOM 279 CB CYS A 329 -7.905 3.866 -8.745 1.00 0.00 C ATOM 280 SG CYS A 329 -7.891 5.091 -10.078 1.00 0.00 S ATOM 0 H CYS A 329 -7.709 2.108 -10.588 1.00 0.00 H new ATOM 0 HA CYS A 329 -5.786 3.497 -8.805 1.00 0.00 H new ATOM 0 HB2 CYS A 329 -8.834 3.297 -8.771 1.00 0.00 H new ATOM 0 HB3 CYS A 329 -7.865 4.367 -7.778 1.00 0.00 H new ATOM 0 HG CYS A 329 -9.019 5.044 -10.723 1.00 0.00 H new ATOM 285 N ALA A 330 -6.850 0.603 -8.226 1.00 0.00 N ATOM 286 CA ALA A 330 -6.937 -0.504 -7.233 1.00 0.00 C ATOM 287 C ALA A 330 -5.952 -1.620 -7.588 1.00 0.00 C ATOM 288 O ALA A 330 -4.780 -1.383 -7.806 1.00 0.00 O ATOM 289 CB ALA A 330 -8.360 -1.058 -7.240 1.00 0.00 C ATOM 0 H ALA A 330 -6.856 0.310 -9.203 1.00 0.00 H new ATOM 0 HA ALA A 330 -6.685 -0.122 -6.244 1.00 0.00 H new ATOM 0 HB1 ALA A 330 -8.438 -1.870 -6.517 1.00 0.00 H new ATOM 0 HB2 ALA A 330 -9.060 -0.266 -6.973 1.00 0.00 H new ATOM 0 HB3 ALA A 330 -8.599 -1.434 -8.235 1.00 0.00 H new ATOM 295 N CYS A 331 -6.419 -2.839 -7.633 1.00 0.00 N ATOM 296 CA CYS A 331 -5.516 -3.979 -7.957 1.00 0.00 C ATOM 297 C CYS A 331 -5.463 -4.196 -9.467 1.00 0.00 C ATOM 298 O CYS A 331 -6.342 -3.789 -10.200 1.00 0.00 O ATOM 299 CB CYS A 331 -6.041 -5.250 -7.292 1.00 0.00 C ATOM 300 SG CYS A 331 -4.667 -6.142 -6.523 1.00 0.00 S ATOM 0 H CYS A 331 -7.391 -3.094 -7.458 1.00 0.00 H new ATOM 0 HA CYS A 331 -4.516 -3.750 -7.589 1.00 0.00 H new ATOM 0 HB2 CYS A 331 -6.790 -4.997 -6.541 1.00 0.00 H new ATOM 0 HB3 CYS A 331 -6.531 -5.884 -8.031 1.00 0.00 H new ATOM 0 HG CYS A 331 -5.118 -7.212 -5.938 1.00 0.00 H new ATOM 305 N HIS A 332 -4.434 -4.844 -9.934 1.00 0.00 N ATOM 306 CA HIS A 332 -4.306 -5.101 -11.393 1.00 0.00 C ATOM 307 C HIS A 332 -5.489 -5.942 -11.885 1.00 0.00 C ATOM 308 O HIS A 332 -5.944 -5.782 -12.999 1.00 0.00 O ATOM 309 CB HIS A 332 -3.003 -5.856 -11.663 1.00 0.00 C ATOM 310 CG HIS A 332 -2.822 -6.034 -13.146 1.00 0.00 C ATOM 311 ND1 HIS A 332 -2.606 -4.961 -13.999 1.00 0.00 N ATOM 312 CD2 HIS A 332 -2.823 -7.153 -13.943 1.00 0.00 C ATOM 313 CE1 HIS A 332 -2.488 -5.452 -15.247 1.00 0.00 C ATOM 314 NE2 HIS A 332 -2.612 -6.781 -15.264 1.00 0.00 N ATOM 0 H HIS A 332 -3.671 -5.209 -9.363 1.00 0.00 H new ATOM 0 HA HIS A 332 -4.299 -4.149 -11.923 1.00 0.00 H new ATOM 0 HB2 HIS A 332 -2.159 -5.306 -11.247 1.00 0.00 H new ATOM 0 HB3 HIS A 332 -3.025 -6.828 -11.170 1.00 0.00 H new ATOM 0 HD2 HIS A 332 -2.966 -8.166 -13.596 1.00 0.00 H new ATOM 0 HE1 HIS A 332 -2.315 -4.847 -16.124 1.00 0.00 H new ATOM 0 HE2 HIS A 332 -2.562 -7.395 -16.077 1.00 0.00 H new ATOM 323 N LEU A 333 -5.980 -6.850 -11.076 1.00 0.00 N ATOM 324 CA LEU A 333 -7.121 -7.705 -11.526 1.00 0.00 C ATOM 325 C LEU A 333 -8.196 -7.808 -10.437 1.00 0.00 C ATOM 326 O LEU A 333 -9.375 -7.849 -10.726 1.00 0.00 O ATOM 327 CB LEU A 333 -6.599 -9.109 -11.848 1.00 0.00 C ATOM 328 CG LEU A 333 -6.795 -9.408 -13.336 1.00 0.00 C ATOM 329 CD1 LEU A 333 -8.285 -9.353 -13.680 1.00 0.00 C ATOM 330 CD2 LEU A 333 -6.041 -8.368 -14.169 1.00 0.00 C ATOM 0 H LEU A 333 -5.643 -7.034 -10.131 1.00 0.00 H new ATOM 0 HA LEU A 333 -7.566 -7.250 -12.411 1.00 0.00 H new ATOM 0 HB2 LEU A 333 -5.543 -9.182 -11.589 1.00 0.00 H new ATOM 0 HB3 LEU A 333 -7.126 -9.849 -11.247 1.00 0.00 H new ATOM 0 HG LEU A 333 -6.409 -10.403 -13.558 1.00 0.00 H new ATOM 0 HD11 LEU A 333 -8.422 -9.566 -14.740 1.00 0.00 H new ATOM 0 HD12 LEU A 333 -8.823 -10.094 -13.088 1.00 0.00 H new ATOM 0 HD13 LEU A 333 -8.674 -8.359 -13.457 1.00 0.00 H new ATOM 0 HD21 LEU A 333 -6.180 -8.580 -15.229 1.00 0.00 H new ATOM 0 HD22 LEU A 333 -6.426 -7.373 -13.945 1.00 0.00 H new ATOM 0 HD23 LEU A 333 -4.979 -8.409 -13.927 1.00 0.00 H new ATOM 342 N CYS A 334 -7.809 -7.876 -9.193 1.00 0.00 N ATOM 343 CA CYS A 334 -8.829 -8.006 -8.108 1.00 0.00 C ATOM 344 C CYS A 334 -9.813 -6.833 -8.156 1.00 0.00 C ATOM 345 O CYS A 334 -11.013 -7.019 -8.111 1.00 0.00 O ATOM 346 CB CYS A 334 -8.132 -8.032 -6.743 1.00 0.00 C ATOM 347 SG CYS A 334 -6.832 -9.292 -6.753 1.00 0.00 S ATOM 0 H CYS A 334 -6.839 -7.848 -8.880 1.00 0.00 H new ATOM 0 HA CYS A 334 -9.379 -8.935 -8.256 1.00 0.00 H new ATOM 0 HB2 CYS A 334 -7.704 -7.054 -6.523 1.00 0.00 H new ATOM 0 HB3 CYS A 334 -8.856 -8.247 -5.957 1.00 0.00 H new ATOM 0 HG CYS A 334 -5.865 -8.912 -7.535 1.00 0.00 H new ATOM 352 N GLY A 335 -9.322 -5.629 -8.243 1.00 0.00 N ATOM 353 CA GLY A 335 -10.240 -4.452 -8.290 1.00 0.00 C ATOM 354 C GLY A 335 -10.904 -4.269 -6.927 1.00 0.00 C ATOM 355 O GLY A 335 -11.916 -3.609 -6.804 1.00 0.00 O ATOM 0 H GLY A 335 -8.327 -5.407 -8.284 1.00 0.00 H new ATOM 0 HA2 GLY A 335 -9.684 -3.554 -8.559 1.00 0.00 H new ATOM 0 HA3 GLY A 335 -10.998 -4.599 -9.059 1.00 0.00 H new ATOM 359 N GLY A 336 -10.335 -4.844 -5.903 1.00 0.00 N ATOM 360 CA GLY A 336 -10.921 -4.702 -4.540 1.00 0.00 C ATOM 361 C GLY A 336 -9.903 -4.014 -3.633 1.00 0.00 C ATOM 362 O GLY A 336 -8.717 -4.027 -3.898 1.00 0.00 O ATOM 0 H GLY A 336 -9.487 -5.408 -5.952 1.00 0.00 H new ATOM 0 HA2 GLY A 336 -11.841 -4.119 -4.584 1.00 0.00 H new ATOM 0 HA3 GLY A 336 -11.183 -5.681 -4.138 1.00 0.00 H new ATOM 366 N ARG A 337 -10.348 -3.412 -2.569 1.00 0.00 N ATOM 367 CA ARG A 337 -9.395 -2.727 -1.658 1.00 0.00 C ATOM 368 C ARG A 337 -8.922 -3.706 -0.583 1.00 0.00 C ATOM 369 O ARG A 337 -8.293 -3.325 0.384 1.00 0.00 O ATOM 370 CB ARG A 337 -10.078 -1.533 -0.990 1.00 0.00 C ATOM 371 CG ARG A 337 -10.441 -0.488 -2.047 1.00 0.00 C ATOM 372 CD ARG A 337 -10.963 0.772 -1.353 1.00 0.00 C ATOM 373 NE ARG A 337 -9.868 1.383 -0.551 1.00 0.00 N ATOM 374 CZ ARG A 337 -8.884 1.996 -1.151 1.00 0.00 C ATOM 375 NH1 ARG A 337 -8.868 2.084 -2.453 1.00 0.00 N ATOM 376 NH2 ARG A 337 -7.917 2.518 -0.450 1.00 0.00 N ATOM 0 H ARG A 337 -11.328 -3.365 -2.291 1.00 0.00 H new ATOM 0 HA ARG A 337 -8.540 -2.375 -2.236 1.00 0.00 H new ATOM 0 HB2 ARG A 337 -10.976 -1.862 -0.466 1.00 0.00 H new ATOM 0 HB3 ARG A 337 -9.416 -1.094 -0.243 1.00 0.00 H new ATOM 0 HG2 ARG A 337 -9.567 -0.248 -2.653 1.00 0.00 H new ATOM 0 HG3 ARG A 337 -11.198 -0.885 -2.723 1.00 0.00 H new ATOM 0 HD2 ARG A 337 -11.328 1.484 -2.093 1.00 0.00 H new ATOM 0 HD3 ARG A 337 -11.806 0.523 -0.708 1.00 0.00 H new ATOM 0 HE ARG A 337 -9.887 1.323 0.467 1.00 0.00 H new ATOM 0 HH11 ARG A 337 -9.624 1.674 -3.001 1.00 0.00 H new ATOM 0 HH12 ARG A 337 -8.099 2.563 -2.922 1.00 0.00 H new ATOM 0 HH21 ARG A 337 -7.929 2.447 0.567 1.00 0.00 H new ATOM 0 HH22 ARG A 337 -7.148 2.997 -0.919 1.00 0.00 H new ATOM 390 N GLN A 338 -9.224 -4.964 -0.740 1.00 0.00 N ATOM 391 CA GLN A 338 -8.798 -5.968 0.276 1.00 0.00 C ATOM 392 C GLN A 338 -7.284 -5.872 0.480 1.00 0.00 C ATOM 393 O GLN A 338 -6.538 -5.649 -0.452 1.00 0.00 O ATOM 394 CB GLN A 338 -9.151 -7.368 -0.225 1.00 0.00 C ATOM 395 CG GLN A 338 -10.657 -7.457 -0.477 1.00 0.00 C ATOM 396 CD GLN A 338 -11.009 -8.861 -0.968 1.00 0.00 C ATOM 397 OE1 GLN A 338 -11.192 -9.768 -0.179 1.00 0.00 O ATOM 398 NE2 GLN A 338 -11.109 -9.081 -2.251 1.00 0.00 N ATOM 0 H GLN A 338 -9.748 -5.342 -1.529 1.00 0.00 H new ATOM 0 HA GLN A 338 -9.307 -5.774 1.220 1.00 0.00 H new ATOM 0 HB2 GLN A 338 -8.605 -7.585 -1.143 1.00 0.00 H new ATOM 0 HB3 GLN A 338 -8.850 -8.115 0.510 1.00 0.00 H new ATOM 0 HG2 GLN A 338 -11.204 -7.233 0.439 1.00 0.00 H new ATOM 0 HG3 GLN A 338 -10.957 -6.715 -1.217 1.00 0.00 H new ATOM 0 HE21 GLN A 338 -10.955 -8.320 -2.912 1.00 0.00 H new ATOM 0 HE22 GLN A 338 -11.341 -10.014 -2.592 1.00 0.00 H new ATOM 407 N ASP A 339 -6.825 -6.040 1.690 1.00 0.00 N ATOM 408 CA ASP A 339 -5.359 -5.959 1.943 1.00 0.00 C ATOM 409 C ASP A 339 -4.812 -4.672 1.317 1.00 0.00 C ATOM 410 O ASP A 339 -3.959 -4.707 0.453 1.00 0.00 O ATOM 411 CB ASP A 339 -4.677 -7.168 1.305 1.00 0.00 C ATOM 412 CG ASP A 339 -4.902 -8.401 2.182 1.00 0.00 C ATOM 413 OD1 ASP A 339 -4.324 -8.454 3.255 1.00 0.00 O ATOM 414 OD2 ASP A 339 -5.651 -9.271 1.767 1.00 0.00 O ATOM 0 H ASP A 339 -7.399 -6.229 2.511 1.00 0.00 H new ATOM 0 HA ASP A 339 -5.165 -5.953 3.016 1.00 0.00 H new ATOM 0 HB2 ASP A 339 -5.078 -7.341 0.306 1.00 0.00 H new ATOM 0 HB3 ASP A 339 -3.610 -6.979 1.191 1.00 0.00 H new ATOM 419 N PRO A 340 -5.319 -3.547 1.743 1.00 0.00 N ATOM 420 CA PRO A 340 -4.899 -2.215 1.212 1.00 0.00 C ATOM 421 C PRO A 340 -3.435 -1.865 1.512 1.00 0.00 C ATOM 422 O PRO A 340 -2.787 -1.181 0.747 1.00 0.00 O ATOM 423 CB PRO A 340 -5.836 -1.221 1.910 1.00 0.00 C ATOM 424 CG PRO A 340 -6.377 -1.932 3.106 1.00 0.00 C ATOM 425 CD PRO A 340 -6.349 -3.424 2.785 1.00 0.00 C ATOM 0 HA PRO A 340 -4.966 -2.198 0.124 1.00 0.00 H new ATOM 0 HB2 PRO A 340 -5.299 -0.319 2.203 1.00 0.00 H new ATOM 0 HB3 PRO A 340 -6.641 -0.911 1.244 1.00 0.00 H new ATOM 0 HG2 PRO A 340 -5.775 -1.716 3.989 1.00 0.00 H new ATOM 0 HG3 PRO A 340 -7.393 -1.603 3.324 1.00 0.00 H new ATOM 0 HD2 PRO A 340 -6.099 -4.016 3.665 1.00 0.00 H new ATOM 0 HD3 PRO A 340 -7.319 -3.774 2.430 1.00 0.00 H new ATOM 433 N ASP A 341 -2.911 -2.305 2.620 1.00 0.00 N ATOM 434 CA ASP A 341 -1.502 -1.961 2.953 1.00 0.00 C ATOM 435 C ASP A 341 -0.534 -2.990 2.366 1.00 0.00 C ATOM 436 O ASP A 341 0.660 -2.906 2.574 1.00 0.00 O ATOM 437 CB ASP A 341 -1.343 -1.924 4.471 1.00 0.00 C ATOM 438 CG ASP A 341 -1.612 -3.310 5.057 1.00 0.00 C ATOM 439 OD1 ASP A 341 -1.608 -4.264 4.299 1.00 0.00 O ATOM 440 OD2 ASP A 341 -1.813 -3.396 6.256 1.00 0.00 O ATOM 0 H ASP A 341 -3.394 -2.885 3.306 1.00 0.00 H new ATOM 0 HA ASP A 341 -1.269 -0.986 2.524 1.00 0.00 H new ATOM 0 HB2 ASP A 341 -0.336 -1.599 4.732 1.00 0.00 H new ATOM 0 HB3 ASP A 341 -2.034 -1.198 4.900 1.00 0.00 H new ATOM 445 N LYS A 342 -1.025 -3.958 1.640 1.00 0.00 N ATOM 446 CA LYS A 342 -0.105 -4.978 1.058 1.00 0.00 C ATOM 447 C LYS A 342 0.072 -4.717 -0.439 1.00 0.00 C ATOM 448 O LYS A 342 1.034 -5.148 -1.044 1.00 0.00 O ATOM 449 CB LYS A 342 -0.691 -6.367 1.276 1.00 0.00 C ATOM 450 CG LYS A 342 -1.209 -6.466 2.711 1.00 0.00 C ATOM 451 CD LYS A 342 -1.493 -7.927 3.064 1.00 0.00 C ATOM 452 CE LYS A 342 -2.065 -8.008 4.482 1.00 0.00 C ATOM 453 NZ LYS A 342 -2.597 -9.378 4.726 1.00 0.00 N ATOM 0 H LYS A 342 -2.014 -4.087 1.426 1.00 0.00 H new ATOM 0 HA LYS A 342 0.867 -4.915 1.547 1.00 0.00 H new ATOM 0 HB2 LYS A 342 -1.501 -6.550 0.569 1.00 0.00 H new ATOM 0 HB3 LYS A 342 0.067 -7.129 1.096 1.00 0.00 H new ATOM 0 HG2 LYS A 342 -0.474 -6.053 3.401 1.00 0.00 H new ATOM 0 HG3 LYS A 342 -2.117 -5.873 2.820 1.00 0.00 H new ATOM 0 HD2 LYS A 342 -2.198 -8.354 2.351 1.00 0.00 H new ATOM 0 HD3 LYS A 342 -0.577 -8.513 2.996 1.00 0.00 H new ATOM 0 HE2 LYS A 342 -1.291 -7.772 5.212 1.00 0.00 H new ATOM 0 HE3 LYS A 342 -2.858 -7.271 4.608 1.00 0.00 H new ATOM 0 HZ1 LYS A 342 -2.766 -9.509 5.744 1.00 0.00 H new ATOM 0 HZ2 LYS A 342 -3.491 -9.501 4.208 1.00 0.00 H new ATOM 0 HZ3 LYS A 342 -1.907 -10.082 4.396 1.00 0.00 H new ATOM 467 N GLN A 343 -0.846 -4.011 -1.043 1.00 0.00 N ATOM 468 CA GLN A 343 -0.722 -3.721 -2.498 1.00 0.00 C ATOM 469 C GLN A 343 0.007 -2.391 -2.677 1.00 0.00 C ATOM 470 O GLN A 343 -0.388 -1.383 -2.125 1.00 0.00 O ATOM 471 CB GLN A 343 -2.117 -3.630 -3.122 1.00 0.00 C ATOM 472 CG GLN A 343 -2.813 -4.989 -3.019 1.00 0.00 C ATOM 473 CD GLN A 343 -4.230 -4.881 -3.584 1.00 0.00 C ATOM 474 OE1 GLN A 343 -4.736 -3.795 -3.784 1.00 0.00 O ATOM 475 NE2 GLN A 343 -4.898 -5.971 -3.849 1.00 0.00 N ATOM 0 H GLN A 343 -1.675 -3.624 -0.591 1.00 0.00 H new ATOM 0 HA GLN A 343 -0.162 -4.517 -2.988 1.00 0.00 H new ATOM 0 HB2 GLN A 343 -2.706 -2.868 -2.611 1.00 0.00 H new ATOM 0 HB3 GLN A 343 -2.041 -3.327 -4.166 1.00 0.00 H new ATOM 0 HG2 GLN A 343 -2.247 -5.742 -3.568 1.00 0.00 H new ATOM 0 HG3 GLN A 343 -2.849 -5.313 -1.979 1.00 0.00 H new ATOM 0 HE21 GLN A 343 -4.473 -6.883 -3.681 1.00 0.00 H new ATOM 0 HE22 GLN A 343 -5.845 -5.911 -4.224 1.00 0.00 H new ATOM 484 N LEU A 344 1.076 -2.383 -3.429 1.00 0.00 N ATOM 485 CA LEU A 344 1.840 -1.120 -3.627 1.00 0.00 C ATOM 486 C LEU A 344 1.745 -0.644 -5.076 1.00 0.00 C ATOM 487 O LEU A 344 1.843 -1.421 -6.015 1.00 0.00 O ATOM 488 CB LEU A 344 3.308 -1.346 -3.257 1.00 0.00 C ATOM 489 CG LEU A 344 4.108 -0.063 -3.508 1.00 0.00 C ATOM 490 CD1 LEU A 344 3.499 1.096 -2.716 1.00 0.00 C ATOM 491 CD2 LEU A 344 5.552 -0.273 -3.054 1.00 0.00 C ATOM 0 H LEU A 344 1.452 -3.198 -3.914 1.00 0.00 H new ATOM 0 HA LEU A 344 1.409 -0.353 -2.984 1.00 0.00 H new ATOM 0 HB2 LEU A 344 3.388 -1.637 -2.210 1.00 0.00 H new ATOM 0 HB3 LEU A 344 3.720 -2.164 -3.848 1.00 0.00 H new ATOM 0 HG LEU A 344 4.081 0.173 -4.572 1.00 0.00 H new ATOM 0 HD11 LEU A 344 4.073 2.004 -2.900 1.00 0.00 H new ATOM 0 HD12 LEU A 344 2.467 1.249 -3.031 1.00 0.00 H new ATOM 0 HD13 LEU A 344 3.522 0.861 -1.652 1.00 0.00 H new ATOM 0 HD21 LEU A 344 6.125 0.637 -3.231 1.00 0.00 H new ATOM 0 HD22 LEU A 344 5.568 -0.511 -1.990 1.00 0.00 H new ATOM 0 HD23 LEU A 344 5.994 -1.095 -3.617 1.00 0.00 H new ATOM 503 N MET A 345 1.567 0.643 -5.249 1.00 0.00 N ATOM 504 CA MET A 345 1.475 1.232 -6.612 1.00 0.00 C ATOM 505 C MET A 345 2.698 2.118 -6.856 1.00 0.00 C ATOM 506 O MET A 345 3.165 2.801 -5.968 1.00 0.00 O ATOM 507 CB MET A 345 0.198 2.068 -6.715 1.00 0.00 C ATOM 508 CG MET A 345 -0.004 2.521 -8.161 1.00 0.00 C ATOM 509 SD MET A 345 -1.498 3.536 -8.267 1.00 0.00 S ATOM 510 CE MET A 345 -2.678 2.231 -7.840 1.00 0.00 C ATOM 0 H MET A 345 1.481 1.317 -4.488 1.00 0.00 H new ATOM 0 HA MET A 345 1.446 0.440 -7.360 1.00 0.00 H new ATOM 0 HB2 MET A 345 -0.660 1.482 -6.384 1.00 0.00 H new ATOM 0 HB3 MET A 345 0.265 2.935 -6.058 1.00 0.00 H new ATOM 0 HG2 MET A 345 0.861 3.091 -8.500 1.00 0.00 H new ATOM 0 HG3 MET A 345 -0.092 1.655 -8.817 1.00 0.00 H new ATOM 0 HE1 MET A 345 -3.677 2.524 -8.163 1.00 0.00 H new ATOM 0 HE2 MET A 345 -2.392 1.305 -8.339 1.00 0.00 H new ATOM 0 HE3 MET A 345 -2.676 2.078 -6.761 1.00 0.00 H new ATOM 520 N CYS A 346 3.227 2.110 -8.051 1.00 0.00 N ATOM 521 CA CYS A 346 4.424 2.956 -8.336 1.00 0.00 C ATOM 522 C CYS A 346 3.963 4.372 -8.686 1.00 0.00 C ATOM 523 O CYS A 346 3.079 4.565 -9.492 1.00 0.00 O ATOM 524 CB CYS A 346 5.208 2.347 -9.503 1.00 0.00 C ATOM 525 SG CYS A 346 6.013 3.649 -10.477 1.00 0.00 S ATOM 0 H CYS A 346 2.885 1.558 -8.838 1.00 0.00 H new ATOM 0 HA CYS A 346 5.072 2.998 -7.460 1.00 0.00 H new ATOM 0 HB2 CYS A 346 5.958 1.653 -9.122 1.00 0.00 H new ATOM 0 HB3 CYS A 346 4.536 1.772 -10.140 1.00 0.00 H new ATOM 0 HG CYS A 346 5.861 3.400 -11.744 1.00 0.00 H new ATOM 530 N ASP A 347 4.540 5.365 -8.071 1.00 0.00 N ATOM 531 CA ASP A 347 4.108 6.760 -8.362 1.00 0.00 C ATOM 532 C ASP A 347 4.119 7.000 -9.870 1.00 0.00 C ATOM 533 O ASP A 347 3.231 7.624 -10.417 1.00 0.00 O ATOM 534 CB ASP A 347 5.067 7.744 -7.688 1.00 0.00 C ATOM 535 CG ASP A 347 4.468 9.150 -7.728 1.00 0.00 C ATOM 536 OD1 ASP A 347 3.337 9.278 -8.167 1.00 0.00 O ATOM 537 OD2 ASP A 347 5.149 10.075 -7.317 1.00 0.00 O ATOM 0 H ASP A 347 5.288 5.273 -7.383 1.00 0.00 H new ATOM 0 HA ASP A 347 3.099 6.909 -7.978 1.00 0.00 H new ATOM 0 HB2 ASP A 347 5.247 7.443 -6.656 1.00 0.00 H new ATOM 0 HB3 ASP A 347 6.031 7.734 -8.196 1.00 0.00 H new ATOM 542 N GLU A 348 5.117 6.514 -10.547 1.00 0.00 N ATOM 543 CA GLU A 348 5.189 6.718 -12.018 1.00 0.00 C ATOM 544 C GLU A 348 4.124 5.869 -12.723 1.00 0.00 C ATOM 545 O GLU A 348 3.589 6.258 -13.744 1.00 0.00 O ATOM 546 CB GLU A 348 6.581 6.332 -12.515 1.00 0.00 C ATOM 547 CG GLU A 348 6.723 6.732 -13.985 1.00 0.00 C ATOM 548 CD GLU A 348 8.106 6.330 -14.497 1.00 0.00 C ATOM 549 OE1 GLU A 348 8.924 5.933 -13.684 1.00 0.00 O ATOM 550 OE2 GLU A 348 8.330 6.437 -15.691 1.00 0.00 O ATOM 0 H GLU A 348 5.889 5.982 -10.145 1.00 0.00 H new ATOM 0 HA GLU A 348 5.002 7.767 -12.245 1.00 0.00 H new ATOM 0 HB2 GLU A 348 7.344 6.829 -11.916 1.00 0.00 H new ATOM 0 HB3 GLU A 348 6.735 5.259 -12.402 1.00 0.00 H new ATOM 0 HG2 GLU A 348 5.949 6.247 -14.580 1.00 0.00 H new ATOM 0 HG3 GLU A 348 6.582 7.807 -14.094 1.00 0.00 H new ATOM 557 N CYS A 349 3.811 4.716 -12.191 1.00 0.00 N ATOM 558 CA CYS A 349 2.780 3.845 -12.836 1.00 0.00 C ATOM 559 C CYS A 349 1.560 3.724 -11.923 1.00 0.00 C ATOM 560 O CYS A 349 1.668 3.341 -10.776 1.00 0.00 O ATOM 561 CB CYS A 349 3.351 2.443 -13.072 1.00 0.00 C ATOM 562 SG CYS A 349 4.965 2.561 -13.881 1.00 0.00 S ATOM 0 H CYS A 349 4.224 4.339 -11.338 1.00 0.00 H new ATOM 0 HA CYS A 349 2.493 4.293 -13.787 1.00 0.00 H new ATOM 0 HB2 CYS A 349 3.448 1.916 -12.123 1.00 0.00 H new ATOM 0 HB3 CYS A 349 2.667 1.862 -13.690 1.00 0.00 H new ATOM 0 HG CYS A 349 5.841 1.881 -13.203 1.00 0.00 H new ATOM 567 N ASP A 350 0.394 4.023 -12.423 1.00 0.00 N ATOM 568 CA ASP A 350 -0.822 3.901 -11.573 1.00 0.00 C ATOM 569 C ASP A 350 -1.153 2.421 -11.399 1.00 0.00 C ATOM 570 O ASP A 350 -2.254 2.049 -11.047 1.00 0.00 O ATOM 571 CB ASP A 350 -1.998 4.625 -12.234 1.00 0.00 C ATOM 572 CG ASP A 350 -1.758 6.135 -12.185 1.00 0.00 C ATOM 573 OD1 ASP A 350 -0.838 6.549 -11.497 1.00 0.00 O ATOM 574 OD2 ASP A 350 -2.499 6.854 -12.834 1.00 0.00 O ATOM 0 H ASP A 350 0.231 4.345 -13.377 1.00 0.00 H new ATOM 0 HA ASP A 350 -0.638 4.355 -10.599 1.00 0.00 H new ATOM 0 HB2 ASP A 350 -2.107 4.296 -13.268 1.00 0.00 H new ATOM 0 HB3 ASP A 350 -2.927 4.377 -11.721 1.00 0.00 H new ATOM 579 N MET A 351 -0.191 1.577 -11.642 1.00 0.00 N ATOM 580 CA MET A 351 -0.410 0.112 -11.496 1.00 0.00 C ATOM 581 C MET A 351 0.359 -0.394 -10.275 1.00 0.00 C ATOM 582 O MET A 351 1.326 0.210 -9.844 1.00 0.00 O ATOM 583 CB MET A 351 0.098 -0.608 -12.748 1.00 0.00 C ATOM 584 CG MET A 351 -0.791 -0.253 -13.940 1.00 0.00 C ATOM 585 SD MET A 351 -0.307 -1.250 -15.371 1.00 0.00 S ATOM 586 CE MET A 351 1.407 -0.679 -15.476 1.00 0.00 C ATOM 0 H MET A 351 0.748 1.843 -11.939 1.00 0.00 H new ATOM 0 HA MET A 351 -1.474 -0.086 -11.369 1.00 0.00 H new ATOM 0 HB2 MET A 351 1.129 -0.320 -12.952 1.00 0.00 H new ATOM 0 HB3 MET A 351 0.094 -1.686 -12.587 1.00 0.00 H new ATOM 0 HG2 MET A 351 -1.837 -0.434 -13.694 1.00 0.00 H new ATOM 0 HG3 MET A 351 -0.698 0.808 -14.174 1.00 0.00 H new ATOM 0 HE1 MET A 351 1.779 -0.830 -16.489 1.00 0.00 H new ATOM 0 HE2 MET A 351 1.453 0.381 -15.227 1.00 0.00 H new ATOM 0 HE3 MET A 351 2.022 -1.244 -14.775 1.00 0.00 H new ATOM 596 N ALA A 352 -0.063 -1.498 -9.715 1.00 0.00 N ATOM 597 CA ALA A 352 0.643 -2.046 -8.524 1.00 0.00 C ATOM 598 C ALA A 352 1.054 -3.485 -8.787 1.00 0.00 C ATOM 599 O ALA A 352 0.895 -3.996 -9.878 1.00 0.00 O ATOM 600 CB ALA A 352 -0.285 -1.990 -7.309 1.00 0.00 C ATOM 0 H ALA A 352 -0.866 -2.042 -10.032 1.00 0.00 H new ATOM 0 HA ALA A 352 1.534 -1.450 -8.327 1.00 0.00 H new ATOM 0 HB1 ALA A 352 0.232 -2.391 -6.437 1.00 0.00 H new ATOM 0 HB2 ALA A 352 -0.571 -0.956 -7.117 1.00 0.00 H new ATOM 0 HB3 ALA A 352 -1.178 -2.583 -7.506 1.00 0.00 H new ATOM 606 N PHE A 353 1.598 -4.138 -7.796 1.00 0.00 N ATOM 607 CA PHE A 353 2.041 -5.546 -7.993 1.00 0.00 C ATOM 608 C PHE A 353 1.171 -6.518 -7.191 1.00 0.00 C ATOM 609 O PHE A 353 0.858 -6.300 -6.037 1.00 0.00 O ATOM 610 CB PHE A 353 3.504 -5.684 -7.569 1.00 0.00 C ATOM 611 CG PHE A 353 4.368 -4.915 -8.540 1.00 0.00 C ATOM 612 CD1 PHE A 353 4.587 -5.422 -9.827 1.00 0.00 C ATOM 613 CD2 PHE A 353 4.947 -3.699 -8.159 1.00 0.00 C ATOM 614 CE1 PHE A 353 5.382 -4.713 -10.734 1.00 0.00 C ATOM 615 CE2 PHE A 353 5.745 -2.990 -9.068 1.00 0.00 C ATOM 616 CZ PHE A 353 5.962 -3.497 -10.354 1.00 0.00 C ATOM 0 H PHE A 353 1.754 -3.758 -6.862 1.00 0.00 H new ATOM 0 HA PHE A 353 1.938 -5.796 -9.049 1.00 0.00 H new ATOM 0 HB2 PHE A 353 3.641 -5.302 -6.558 1.00 0.00 H new ATOM 0 HB3 PHE A 353 3.795 -6.734 -7.555 1.00 0.00 H new ATOM 0 HD1 PHE A 353 4.142 -6.361 -10.120 1.00 0.00 H new ATOM 0 HD2 PHE A 353 4.779 -3.308 -7.167 1.00 0.00 H new ATOM 0 HE1 PHE A 353 5.548 -5.104 -11.727 1.00 0.00 H new ATOM 0 HE2 PHE A 353 6.193 -2.052 -8.775 1.00 0.00 H new ATOM 0 HZ PHE A 353 6.577 -2.950 -11.053 1.00 0.00 H new ATOM 626 N HIS A 354 0.796 -7.600 -7.817 1.00 0.00 N ATOM 627 CA HIS A 354 -0.042 -8.637 -7.148 1.00 0.00 C ATOM 628 C HIS A 354 0.781 -9.341 -6.071 1.00 0.00 C ATOM 629 O HIS A 354 0.463 -10.440 -5.659 1.00 0.00 O ATOM 630 CB HIS A 354 -0.497 -9.664 -8.185 1.00 0.00 C ATOM 631 CG HIS A 354 -1.953 -9.468 -8.533 1.00 0.00 C ATOM 632 ND1 HIS A 354 -2.693 -10.468 -9.148 1.00 0.00 N ATOM 633 CD2 HIS A 354 -2.825 -8.415 -8.362 1.00 0.00 C ATOM 634 CE1 HIS A 354 -3.943 -10.005 -9.321 1.00 0.00 C ATOM 635 NE2 HIS A 354 -4.079 -8.761 -8.858 1.00 0.00 N ATOM 0 H HIS A 354 1.040 -7.813 -8.784 1.00 0.00 H new ATOM 0 HA HIS A 354 -0.911 -8.163 -6.692 1.00 0.00 H new ATOM 0 HB2 HIS A 354 0.112 -9.573 -9.085 1.00 0.00 H new ATOM 0 HB3 HIS A 354 -0.344 -10.671 -7.797 1.00 0.00 H new ATOM 0 HD1 HIS A 354 -2.350 -11.389 -9.420 1.00 0.00 H new ATOM 0 HD2 HIS A 354 -2.574 -7.466 -7.912 1.00 0.00 H new ATOM 0 HE1 HIS A 354 -4.740 -10.571 -9.779 1.00 0.00 H new ATOM 643 N ILE A 355 1.850 -8.736 -5.633 1.00 0.00 N ATOM 644 CA ILE A 355 2.706 -9.392 -4.605 1.00 0.00 C ATOM 645 C ILE A 355 1.818 -10.071 -3.562 1.00 0.00 C ATOM 646 O ILE A 355 2.112 -11.152 -3.091 1.00 0.00 O ATOM 647 CB ILE A 355 3.571 -8.337 -3.911 1.00 0.00 C ATOM 648 CG1 ILE A 355 4.566 -9.027 -2.975 1.00 0.00 C ATOM 649 CG2 ILE A 355 2.678 -7.398 -3.099 1.00 0.00 C ATOM 650 CD1 ILE A 355 5.303 -7.972 -2.150 1.00 0.00 C ATOM 0 H ILE A 355 2.168 -7.817 -5.942 1.00 0.00 H new ATOM 0 HA ILE A 355 3.344 -10.133 -5.087 1.00 0.00 H new ATOM 0 HB ILE A 355 4.115 -7.764 -4.662 1.00 0.00 H new ATOM 0 HG12 ILE A 355 4.042 -9.719 -2.316 1.00 0.00 H new ATOM 0 HG13 ILE A 355 5.278 -9.615 -3.553 1.00 0.00 H new ATOM 0 HG21 ILE A 355 3.294 -6.647 -2.605 1.00 0.00 H new ATOM 0 HG22 ILE A 355 1.969 -6.905 -3.764 1.00 0.00 H new ATOM 0 HG23 ILE A 355 2.134 -7.972 -2.349 1.00 0.00 H new ATOM 0 HD11 ILE A 355 6.012 -8.462 -1.483 1.00 0.00 H new ATOM 0 HD12 ILE A 355 5.839 -7.297 -2.817 1.00 0.00 H new ATOM 0 HD13 ILE A 355 4.584 -7.403 -1.561 1.00 0.00 H new ATOM 662 N TYR A 356 0.724 -9.464 -3.211 1.00 0.00 N ATOM 663 CA TYR A 356 -0.185 -10.098 -2.218 1.00 0.00 C ATOM 664 C TYR A 356 -1.015 -11.190 -2.896 1.00 0.00 C ATOM 665 O TYR A 356 -1.203 -12.265 -2.363 1.00 0.00 O ATOM 666 CB TYR A 356 -1.123 -9.046 -1.632 1.00 0.00 C ATOM 667 CG TYR A 356 -2.117 -9.728 -0.726 1.00 0.00 C ATOM 668 CD1 TYR A 356 -1.756 -10.065 0.583 1.00 0.00 C ATOM 669 CD2 TYR A 356 -3.399 -10.030 -1.200 1.00 0.00 C ATOM 670 CE1 TYR A 356 -2.679 -10.705 1.420 1.00 0.00 C ATOM 671 CE2 TYR A 356 -4.322 -10.669 -0.363 1.00 0.00 C ATOM 672 CZ TYR A 356 -3.962 -11.005 0.947 1.00 0.00 C ATOM 673 OH TYR A 356 -4.871 -11.636 1.772 1.00 0.00 O ATOM 0 H TYR A 356 0.418 -8.558 -3.567 1.00 0.00 H new ATOM 0 HA TYR A 356 0.414 -10.538 -1.421 1.00 0.00 H new ATOM 0 HB2 TYR A 356 -0.554 -8.302 -1.075 1.00 0.00 H new ATOM 0 HB3 TYR A 356 -1.642 -8.517 -2.431 1.00 0.00 H new ATOM 0 HD1 TYR A 356 -0.767 -9.832 0.948 1.00 0.00 H new ATOM 0 HD2 TYR A 356 -3.676 -9.770 -2.211 1.00 0.00 H new ATOM 0 HE1 TYR A 356 -2.401 -10.967 2.430 1.00 0.00 H new ATOM 0 HE2 TYR A 356 -5.311 -10.902 -0.728 1.00 0.00 H new ATOM 0 HH TYR A 356 -5.580 -11.006 2.019 1.00 0.00 H new ATOM 683 N CYS A 357 -1.532 -10.909 -4.060 1.00 0.00 N ATOM 684 CA CYS A 357 -2.375 -11.910 -4.773 1.00 0.00 C ATOM 685 C CYS A 357 -1.515 -13.052 -5.323 1.00 0.00 C ATOM 686 O CYS A 357 -1.749 -14.209 -5.036 1.00 0.00 O ATOM 687 CB CYS A 357 -3.097 -11.211 -5.927 1.00 0.00 C ATOM 688 SG CYS A 357 -3.324 -9.463 -5.517 1.00 0.00 S ATOM 0 H CYS A 357 -1.406 -10.024 -4.551 1.00 0.00 H new ATOM 0 HA CYS A 357 -3.097 -12.332 -4.074 1.00 0.00 H new ATOM 0 HB2 CYS A 357 -2.519 -11.309 -6.846 1.00 0.00 H new ATOM 0 HB3 CYS A 357 -4.063 -11.683 -6.106 1.00 0.00 H new ATOM 0 HG CYS A 357 -4.537 -9.102 -5.814 1.00 0.00 H new ATOM 693 N LEU A 358 -0.535 -12.740 -6.123 1.00 0.00 N ATOM 694 CA LEU A 358 0.326 -13.813 -6.703 1.00 0.00 C ATOM 695 C LEU A 358 1.161 -14.472 -5.602 1.00 0.00 C ATOM 696 O LEU A 358 1.415 -15.659 -5.627 1.00 0.00 O ATOM 697 CB LEU A 358 1.249 -13.202 -7.764 1.00 0.00 C ATOM 698 CG LEU A 358 1.956 -14.313 -8.552 1.00 0.00 C ATOM 699 CD1 LEU A 358 2.101 -13.883 -10.013 1.00 0.00 C ATOM 700 CD2 LEU A 358 3.349 -14.559 -7.965 1.00 0.00 C ATOM 0 H LEU A 358 -0.291 -11.790 -6.402 1.00 0.00 H new ATOM 0 HA LEU A 358 -0.306 -14.573 -7.163 1.00 0.00 H new ATOM 0 HB2 LEU A 358 0.670 -12.576 -8.443 1.00 0.00 H new ATOM 0 HB3 LEU A 358 1.987 -12.558 -7.287 1.00 0.00 H new ATOM 0 HG LEU A 358 1.367 -15.228 -8.489 1.00 0.00 H new ATOM 0 HD11 LEU A 358 2.603 -14.670 -10.576 1.00 0.00 H new ATOM 0 HD12 LEU A 358 1.114 -13.705 -10.440 1.00 0.00 H new ATOM 0 HD13 LEU A 358 2.690 -12.967 -10.066 1.00 0.00 H new ATOM 0 HD21 LEU A 358 3.847 -15.349 -8.528 1.00 0.00 H new ATOM 0 HD22 LEU A 358 3.937 -13.643 -8.027 1.00 0.00 H new ATOM 0 HD23 LEU A 358 3.256 -14.861 -6.922 1.00 0.00 H new ATOM 712 N ASP A 359 1.589 -13.709 -4.638 1.00 0.00 N ATOM 713 CA ASP A 359 2.410 -14.284 -3.533 1.00 0.00 C ATOM 714 C ASP A 359 3.756 -14.781 -4.078 1.00 0.00 C ATOM 715 O ASP A 359 4.087 -15.945 -3.966 1.00 0.00 O ATOM 716 CB ASP A 359 1.656 -15.455 -2.898 1.00 0.00 C ATOM 717 CG ASP A 359 2.142 -15.658 -1.463 1.00 0.00 C ATOM 718 OD1 ASP A 359 3.086 -14.988 -1.078 1.00 0.00 O ATOM 719 OD2 ASP A 359 1.562 -16.480 -0.772 1.00 0.00 O ATOM 0 H ASP A 359 1.406 -12.708 -4.565 1.00 0.00 H new ATOM 0 HA ASP A 359 2.592 -13.512 -2.786 1.00 0.00 H new ATOM 0 HB2 ASP A 359 0.584 -15.258 -2.905 1.00 0.00 H new ATOM 0 HB3 ASP A 359 1.817 -16.363 -3.479 1.00 0.00 H new ATOM 724 N PRO A 360 4.528 -13.895 -4.649 1.00 0.00 N ATOM 725 CA PRO A 360 5.870 -14.224 -5.210 1.00 0.00 C ATOM 726 C PRO A 360 6.940 -14.302 -4.116 1.00 0.00 C ATOM 727 O PRO A 360 6.733 -13.843 -3.011 1.00 0.00 O ATOM 728 CB PRO A 360 6.162 -13.050 -6.145 1.00 0.00 C ATOM 729 CG PRO A 360 5.404 -11.897 -5.577 1.00 0.00 C ATOM 730 CD PRO A 360 4.202 -12.474 -4.827 1.00 0.00 C ATOM 0 HA PRO A 360 5.881 -15.195 -5.706 1.00 0.00 H new ATOM 0 HB2 PRO A 360 7.230 -12.836 -6.187 1.00 0.00 H new ATOM 0 HB3 PRO A 360 5.841 -13.269 -7.163 1.00 0.00 H new ATOM 0 HG2 PRO A 360 6.035 -11.315 -4.904 1.00 0.00 H new ATOM 0 HG3 PRO A 360 5.077 -11.224 -6.369 1.00 0.00 H new ATOM 0 HD2 PRO A 360 4.057 -11.977 -3.868 1.00 0.00 H new ATOM 0 HD3 PRO A 360 3.281 -12.346 -5.395 1.00 0.00 H new ATOM 738 N PRO A 361 8.080 -14.866 -4.421 1.00 0.00 N ATOM 739 CA PRO A 361 9.191 -14.980 -3.440 1.00 0.00 C ATOM 740 C PRO A 361 9.405 -13.671 -2.672 1.00 0.00 C ATOM 741 O PRO A 361 10.077 -13.635 -1.661 1.00 0.00 O ATOM 742 CB PRO A 361 10.409 -15.296 -4.308 1.00 0.00 C ATOM 743 CG PRO A 361 9.867 -15.965 -5.529 1.00 0.00 C ATOM 744 CD PRO A 361 8.434 -15.460 -5.721 1.00 0.00 C ATOM 0 HA PRO A 361 8.993 -15.737 -2.681 1.00 0.00 H new ATOM 0 HB2 PRO A 361 10.953 -14.387 -4.567 1.00 0.00 H new ATOM 0 HB3 PRO A 361 11.108 -15.946 -3.782 1.00 0.00 H new ATOM 0 HG2 PRO A 361 10.478 -15.730 -6.400 1.00 0.00 H new ATOM 0 HG3 PRO A 361 9.881 -17.049 -5.413 1.00 0.00 H new ATOM 0 HD2 PRO A 361 8.376 -14.725 -6.523 1.00 0.00 H new ATOM 0 HD3 PRO A 361 7.758 -16.273 -5.984 1.00 0.00 H new ATOM 752 N LEU A 362 8.832 -12.596 -3.146 1.00 0.00 N ATOM 753 CA LEU A 362 8.996 -11.292 -2.442 1.00 0.00 C ATOM 754 C LEU A 362 7.959 -11.188 -1.323 1.00 0.00 C ATOM 755 O LEU A 362 6.818 -11.577 -1.481 1.00 0.00 O ATOM 756 CB LEU A 362 8.781 -10.140 -3.429 1.00 0.00 C ATOM 757 CG LEU A 362 9.730 -10.286 -4.619 1.00 0.00 C ATOM 758 CD1 LEU A 362 9.590 -9.066 -5.532 1.00 0.00 C ATOM 759 CD2 LEU A 362 11.171 -10.379 -4.112 1.00 0.00 C ATOM 0 H LEU A 362 8.259 -12.565 -3.989 1.00 0.00 H new ATOM 0 HA LEU A 362 10.002 -11.233 -2.025 1.00 0.00 H new ATOM 0 HB2 LEU A 362 7.748 -10.136 -3.776 1.00 0.00 H new ATOM 0 HB3 LEU A 362 8.954 -9.186 -2.930 1.00 0.00 H new ATOM 0 HG LEU A 362 9.481 -11.189 -5.176 1.00 0.00 H new ATOM 0 HD11 LEU A 362 10.266 -9.168 -6.381 1.00 0.00 H new ATOM 0 HD12 LEU A 362 8.563 -8.996 -5.891 1.00 0.00 H new ATOM 0 HD13 LEU A 362 9.841 -8.164 -4.975 1.00 0.00 H new ATOM 0 HD21 LEU A 362 11.849 -10.483 -4.959 1.00 0.00 H new ATOM 0 HD22 LEU A 362 11.420 -9.475 -3.557 1.00 0.00 H new ATOM 0 HD23 LEU A 362 11.272 -11.245 -3.458 1.00 0.00 H new ATOM 771 N SER A 363 8.343 -10.662 -0.193 1.00 0.00 N ATOM 772 CA SER A 363 7.378 -10.529 0.934 1.00 0.00 C ATOM 773 C SER A 363 7.677 -9.241 1.703 1.00 0.00 C ATOM 774 O SER A 363 7.683 -9.220 2.918 1.00 0.00 O ATOM 775 CB SER A 363 7.519 -11.728 1.871 1.00 0.00 C ATOM 776 OG SER A 363 7.176 -12.915 1.170 1.00 0.00 O ATOM 0 H SER A 363 9.284 -10.318 -0.001 1.00 0.00 H new ATOM 0 HA SER A 363 6.361 -10.494 0.543 1.00 0.00 H new ATOM 0 HB2 SER A 363 8.541 -11.795 2.244 1.00 0.00 H new ATOM 0 HB3 SER A 363 6.871 -11.604 2.739 1.00 0.00 H new ATOM 0 HG SER A 363 7.267 -13.686 1.768 1.00 0.00 H new ATOM 782 N SER A 364 7.933 -8.168 1.006 1.00 0.00 N ATOM 783 CA SER A 364 8.238 -6.886 1.699 1.00 0.00 C ATOM 784 C SER A 364 7.643 -5.718 0.911 1.00 0.00 C ATOM 785 O SER A 364 7.537 -5.765 -0.298 1.00 0.00 O ATOM 786 CB SER A 364 9.754 -6.713 1.797 1.00 0.00 C ATOM 787 OG SER A 364 10.046 -5.560 2.573 1.00 0.00 O ATOM 0 H SER A 364 7.944 -8.124 -0.013 1.00 0.00 H new ATOM 0 HA SER A 364 7.804 -6.903 2.699 1.00 0.00 H new ATOM 0 HB2 SER A 364 10.203 -7.595 2.253 1.00 0.00 H new ATOM 0 HB3 SER A 364 10.185 -6.614 0.801 1.00 0.00 H new ATOM 0 HG SER A 364 11.017 -5.447 2.639 1.00 0.00 H new ATOM 793 N VAL A 365 7.258 -4.670 1.587 1.00 0.00 N ATOM 794 CA VAL A 365 6.674 -3.499 0.877 1.00 0.00 C ATOM 795 C VAL A 365 7.707 -2.358 0.844 1.00 0.00 C ATOM 796 O VAL A 365 8.024 -1.787 1.869 1.00 0.00 O ATOM 797 CB VAL A 365 5.430 -3.026 1.632 1.00 0.00 C ATOM 798 CG1 VAL A 365 4.824 -1.818 0.912 1.00 0.00 C ATOM 799 CG2 VAL A 365 4.401 -4.158 1.678 1.00 0.00 C ATOM 0 H VAL A 365 7.323 -4.575 2.600 1.00 0.00 H new ATOM 0 HA VAL A 365 6.406 -3.782 -0.141 1.00 0.00 H new ATOM 0 HB VAL A 365 5.707 -2.743 2.647 1.00 0.00 H new ATOM 0 HG11 VAL A 365 3.938 -1.481 1.450 1.00 0.00 H new ATOM 0 HG12 VAL A 365 5.556 -1.011 0.876 1.00 0.00 H new ATOM 0 HG13 VAL A 365 4.547 -2.101 -0.103 1.00 0.00 H new ATOM 0 HG21 VAL A 365 3.514 -3.822 2.216 1.00 0.00 H new ATOM 0 HG22 VAL A 365 4.124 -4.440 0.662 1.00 0.00 H new ATOM 0 HG23 VAL A 365 4.831 -5.020 2.189 1.00 0.00 H new ATOM 809 N PRO A 366 8.232 -2.016 -0.313 1.00 0.00 N ATOM 810 CA PRO A 366 9.237 -0.921 -0.437 1.00 0.00 C ATOM 811 C PRO A 366 8.601 0.472 -0.387 1.00 0.00 C ATOM 812 O PRO A 366 9.273 1.476 -0.524 1.00 0.00 O ATOM 813 CB PRO A 366 9.878 -1.169 -1.802 1.00 0.00 C ATOM 814 CG PRO A 366 8.834 -1.867 -2.608 1.00 0.00 C ATOM 815 CD PRO A 366 7.940 -2.627 -1.624 1.00 0.00 C ATOM 0 HA PRO A 366 9.948 -0.935 0.389 1.00 0.00 H new ATOM 0 HB2 PRO A 366 10.176 -0.232 -2.272 1.00 0.00 H new ATOM 0 HB3 PRO A 366 10.776 -1.779 -1.709 1.00 0.00 H new ATOM 0 HG2 PRO A 366 8.250 -1.150 -3.185 1.00 0.00 H new ATOM 0 HG3 PRO A 366 9.292 -2.553 -3.321 1.00 0.00 H new ATOM 0 HD2 PRO A 366 6.886 -2.524 -1.884 1.00 0.00 H new ATOM 0 HD3 PRO A 366 8.166 -3.693 -1.624 1.00 0.00 H new ATOM 823 N SER A 367 7.311 0.546 -0.197 1.00 0.00 N ATOM 824 CA SER A 367 6.640 1.875 -0.144 1.00 0.00 C ATOM 825 C SER A 367 7.218 2.688 1.015 1.00 0.00 C ATOM 826 O SER A 367 6.991 3.877 1.125 1.00 0.00 O ATOM 827 CB SER A 367 5.139 1.680 0.068 1.00 0.00 C ATOM 828 OG SER A 367 4.876 1.532 1.457 1.00 0.00 O ATOM 0 H SER A 367 6.694 -0.257 -0.076 1.00 0.00 H new ATOM 0 HA SER A 367 6.807 2.406 -1.081 1.00 0.00 H new ATOM 0 HB2 SER A 367 4.590 2.534 -0.329 1.00 0.00 H new ATOM 0 HB3 SER A 367 4.795 0.800 -0.475 1.00 0.00 H new ATOM 0 HG SER A 367 3.914 1.408 1.596 1.00 0.00 H new ATOM 834 N GLU A 368 7.965 2.060 1.881 1.00 0.00 N ATOM 835 CA GLU A 368 8.556 2.802 3.029 1.00 0.00 C ATOM 836 C GLU A 368 9.374 3.976 2.490 1.00 0.00 C ATOM 837 O GLU A 368 9.455 5.022 3.103 1.00 0.00 O ATOM 838 CB GLU A 368 9.467 1.868 3.829 1.00 0.00 C ATOM 839 CG GLU A 368 8.636 0.733 4.430 1.00 0.00 C ATOM 840 CD GLU A 368 9.536 -0.162 5.285 1.00 0.00 C ATOM 841 OE1 GLU A 368 10.741 0.022 5.234 1.00 0.00 O ATOM 842 OE2 GLU A 368 9.005 -1.017 5.973 1.00 0.00 O ATOM 0 H GLU A 368 8.191 1.066 1.843 1.00 0.00 H new ATOM 0 HA GLU A 368 7.762 3.171 3.679 1.00 0.00 H new ATOM 0 HB2 GLU A 368 10.245 1.460 3.183 1.00 0.00 H new ATOM 0 HB3 GLU A 368 9.969 2.424 4.621 1.00 0.00 H new ATOM 0 HG2 GLU A 368 7.829 1.142 5.038 1.00 0.00 H new ATOM 0 HG3 GLU A 368 8.172 0.148 3.636 1.00 0.00 H new ATOM 849 N ASP A 369 9.973 3.810 1.341 1.00 0.00 N ATOM 850 CA ASP A 369 10.777 4.911 0.747 1.00 0.00 C ATOM 851 C ASP A 369 10.342 5.104 -0.704 1.00 0.00 C ATOM 852 O ASP A 369 9.596 4.313 -1.246 1.00 0.00 O ATOM 853 CB ASP A 369 12.262 4.551 0.792 1.00 0.00 C ATOM 854 CG ASP A 369 12.715 4.432 2.249 1.00 0.00 C ATOM 855 OD1 ASP A 369 11.989 4.892 3.114 1.00 0.00 O ATOM 856 OD2 ASP A 369 13.781 3.883 2.474 1.00 0.00 O ATOM 0 H ASP A 369 9.938 2.954 0.788 1.00 0.00 H new ATOM 0 HA ASP A 369 10.619 5.830 1.311 1.00 0.00 H new ATOM 0 HB2 ASP A 369 12.435 3.611 0.268 1.00 0.00 H new ATOM 0 HB3 ASP A 369 12.848 5.314 0.279 1.00 0.00 H new ATOM 861 N GLU A 370 10.799 6.143 -1.341 1.00 0.00 N ATOM 862 CA GLU A 370 10.399 6.368 -2.757 1.00 0.00 C ATOM 863 C GLU A 370 10.975 5.249 -3.625 1.00 0.00 C ATOM 864 O GLU A 370 12.107 5.314 -4.063 1.00 0.00 O ATOM 865 CB GLU A 370 10.943 7.717 -3.233 1.00 0.00 C ATOM 866 CG GLU A 370 10.324 8.840 -2.398 1.00 0.00 C ATOM 867 CD GLU A 370 10.810 10.192 -2.921 1.00 0.00 C ATOM 868 OE1 GLU A 370 11.700 10.197 -3.755 1.00 0.00 O ATOM 869 OE2 GLU A 370 10.285 11.201 -2.478 1.00 0.00 O ATOM 0 H GLU A 370 11.428 6.842 -0.947 1.00 0.00 H new ATOM 0 HA GLU A 370 9.312 6.370 -2.836 1.00 0.00 H new ATOM 0 HB2 GLU A 370 12.029 7.737 -3.140 1.00 0.00 H new ATOM 0 HB3 GLU A 370 10.711 7.863 -4.288 1.00 0.00 H new ATOM 0 HG2 GLU A 370 9.236 8.788 -2.449 1.00 0.00 H new ATOM 0 HG3 GLU A 370 10.600 8.723 -1.350 1.00 0.00 H new ATOM 876 N TRP A 371 10.202 4.225 -3.881 1.00 0.00 N ATOM 877 CA TRP A 371 10.703 3.102 -4.724 1.00 0.00 C ATOM 878 C TRP A 371 9.948 3.094 -6.056 1.00 0.00 C ATOM 879 O TRP A 371 8.746 3.269 -6.102 1.00 0.00 O ATOM 880 CB TRP A 371 10.499 1.776 -3.985 1.00 0.00 C ATOM 881 CG TRP A 371 9.331 1.043 -4.555 1.00 0.00 C ATOM 882 CD1 TRP A 371 8.045 1.447 -4.471 1.00 0.00 C ATOM 883 CD2 TRP A 371 9.317 -0.221 -5.281 1.00 0.00 C ATOM 884 NE1 TRP A 371 7.243 0.516 -5.100 1.00 0.00 N ATOM 885 CE2 TRP A 371 7.980 -0.533 -5.614 1.00 0.00 C ATOM 886 CE3 TRP A 371 10.325 -1.118 -5.678 1.00 0.00 C ATOM 887 CZ2 TRP A 371 7.652 -1.694 -6.315 1.00 0.00 C ATOM 888 CZ3 TRP A 371 9.999 -2.287 -6.386 1.00 0.00 C ATOM 889 CH2 TRP A 371 8.665 -2.574 -6.703 1.00 0.00 C ATOM 0 H TRP A 371 9.246 4.119 -3.542 1.00 0.00 H new ATOM 0 HA TRP A 371 11.767 3.232 -4.921 1.00 0.00 H new ATOM 0 HB2 TRP A 371 11.397 1.164 -4.067 1.00 0.00 H new ATOM 0 HB3 TRP A 371 10.337 1.964 -2.924 1.00 0.00 H new ATOM 0 HD1 TRP A 371 7.700 2.351 -3.990 1.00 0.00 H new ATOM 0 HE1 TRP A 371 6.229 0.593 -5.176 1.00 0.00 H new ATOM 0 HE3 TRP A 371 11.356 -0.907 -5.437 1.00 0.00 H new ATOM 0 HZ2 TRP A 371 6.622 -1.911 -6.556 1.00 0.00 H new ATOM 0 HZ3 TRP A 371 10.781 -2.968 -6.687 1.00 0.00 H new ATOM 0 HH2 TRP A 371 8.420 -3.474 -7.247 1.00 0.00 H new ATOM 900 N TYR A 372 10.651 2.914 -7.141 1.00 0.00 N ATOM 901 CA TYR A 372 9.992 2.916 -8.480 1.00 0.00 C ATOM 902 C TYR A 372 10.311 1.611 -9.215 1.00 0.00 C ATOM 903 O TYR A 372 11.359 1.026 -9.024 1.00 0.00 O ATOM 904 CB TYR A 372 10.520 4.091 -9.301 1.00 0.00 C ATOM 905 CG TYR A 372 10.427 5.362 -8.492 1.00 0.00 C ATOM 906 CD1 TYR A 372 9.237 6.100 -8.478 1.00 0.00 C ATOM 907 CD2 TYR A 372 11.535 5.806 -7.759 1.00 0.00 C ATOM 908 CE1 TYR A 372 9.155 7.281 -7.732 1.00 0.00 C ATOM 909 CE2 TYR A 372 11.452 6.986 -7.013 1.00 0.00 C ATOM 910 CZ TYR A 372 10.262 7.724 -6.999 1.00 0.00 C ATOM 911 OH TYR A 372 10.181 8.889 -6.264 1.00 0.00 O ATOM 0 H TYR A 372 11.660 2.765 -7.158 1.00 0.00 H new ATOM 0 HA TYR A 372 8.914 3.007 -8.350 1.00 0.00 H new ATOM 0 HB2 TYR A 372 11.555 3.908 -9.591 1.00 0.00 H new ATOM 0 HB3 TYR A 372 9.944 4.192 -10.221 1.00 0.00 H new ATOM 0 HD1 TYR A 372 8.383 5.758 -9.043 1.00 0.00 H new ATOM 0 HD2 TYR A 372 12.453 5.237 -7.770 1.00 0.00 H new ATOM 0 HE1 TYR A 372 8.238 7.851 -7.722 1.00 0.00 H new ATOM 0 HE2 TYR A 372 12.306 7.328 -6.447 1.00 0.00 H new ATOM 0 HH TYR A 372 9.258 9.022 -5.962 1.00 0.00 H new ATOM 921 N CYS A 373 9.420 1.150 -10.056 1.00 0.00 N ATOM 922 CA CYS A 373 9.690 -0.113 -10.800 1.00 0.00 C ATOM 923 C CYS A 373 11.143 -0.099 -11.293 1.00 0.00 C ATOM 924 O CYS A 373 11.662 0.941 -11.646 1.00 0.00 O ATOM 925 CB CYS A 373 8.761 -0.205 -12.016 1.00 0.00 C ATOM 926 SG CYS A 373 7.105 0.382 -11.580 1.00 0.00 S ATOM 0 H CYS A 373 8.523 1.592 -10.257 1.00 0.00 H new ATOM 0 HA CYS A 373 9.519 -0.965 -10.142 1.00 0.00 H new ATOM 0 HB2 CYS A 373 9.162 0.391 -12.836 1.00 0.00 H new ATOM 0 HB3 CYS A 373 8.709 -1.236 -12.367 1.00 0.00 H new ATOM 0 HG CYS A 373 7.147 1.658 -11.336 1.00 0.00 H new ATOM 931 N PRO A 374 11.803 -1.234 -11.333 1.00 0.00 N ATOM 932 CA PRO A 374 13.210 -1.302 -11.809 1.00 0.00 C ATOM 933 C PRO A 374 13.394 -0.540 -13.125 1.00 0.00 C ATOM 934 O PRO A 374 14.392 0.116 -13.342 1.00 0.00 O ATOM 935 CB PRO A 374 13.460 -2.794 -12.031 1.00 0.00 C ATOM 936 CG PRO A 374 12.462 -3.513 -11.182 1.00 0.00 C ATOM 937 CD PRO A 374 11.293 -2.557 -10.930 1.00 0.00 C ATOM 0 HA PRO A 374 13.900 -0.851 -11.096 1.00 0.00 H new ATOM 0 HB2 PRO A 374 13.339 -3.057 -13.082 1.00 0.00 H new ATOM 0 HB3 PRO A 374 14.478 -3.065 -11.750 1.00 0.00 H new ATOM 0 HG2 PRO A 374 12.116 -4.418 -11.682 1.00 0.00 H new ATOM 0 HG3 PRO A 374 12.914 -3.822 -10.239 1.00 0.00 H new ATOM 0 HD2 PRO A 374 10.417 -2.839 -11.514 1.00 0.00 H new ATOM 0 HD3 PRO A 374 10.993 -2.564 -9.882 1.00 0.00 H new ATOM 945 N GLU A 375 12.430 -0.622 -14.000 1.00 0.00 N ATOM 946 CA GLU A 375 12.536 0.098 -15.300 1.00 0.00 C ATOM 947 C GLU A 375 12.301 1.595 -15.085 1.00 0.00 C ATOM 948 O GLU A 375 12.907 2.426 -15.729 1.00 0.00 O ATOM 949 CB GLU A 375 11.492 -0.453 -16.268 1.00 0.00 C ATOM 950 CG GLU A 375 10.104 -0.138 -15.727 1.00 0.00 C ATOM 951 CD GLU A 375 9.044 -0.791 -16.614 1.00 0.00 C ATOM 952 OE1 GLU A 375 9.416 -1.355 -17.630 1.00 0.00 O ATOM 953 OE2 GLU A 375 7.878 -0.717 -16.263 1.00 0.00 O ATOM 0 H GLU A 375 11.572 -1.158 -13.870 1.00 0.00 H new ATOM 0 HA GLU A 375 13.533 -0.049 -15.716 1.00 0.00 H new ATOM 0 HB2 GLU A 375 11.622 -0.009 -17.255 1.00 0.00 H new ATOM 0 HB3 GLU A 375 11.616 -1.530 -16.384 1.00 0.00 H new ATOM 0 HG2 GLU A 375 10.011 -0.503 -14.704 1.00 0.00 H new ATOM 0 HG3 GLU A 375 9.952 0.941 -15.696 1.00 0.00 H new ATOM 960 N CYS A 376 11.420 1.942 -14.187 1.00 0.00 N ATOM 961 CA CYS A 376 11.143 3.382 -13.933 1.00 0.00 C ATOM 962 C CYS A 376 12.421 4.069 -13.453 1.00 0.00 C ATOM 963 O CYS A 376 12.669 5.220 -13.751 1.00 0.00 O ATOM 964 CB CYS A 376 10.059 3.516 -12.861 1.00 0.00 C ATOM 965 SG CYS A 376 8.427 3.357 -13.627 1.00 0.00 S ATOM 0 H CYS A 376 10.880 1.289 -13.619 1.00 0.00 H new ATOM 0 HA CYS A 376 10.800 3.852 -14.855 1.00 0.00 H new ATOM 0 HB2 CYS A 376 10.190 2.749 -12.098 1.00 0.00 H new ATOM 0 HB3 CYS A 376 10.145 4.481 -12.361 1.00 0.00 H new ATOM 0 HG CYS A 376 7.781 2.375 -13.071 1.00 0.00 H new ATOM 970 N ARG A 377 13.229 3.372 -12.708 1.00 0.00 N ATOM 971 CA ARG A 377 14.489 3.980 -12.201 1.00 0.00 C ATOM 972 C ARG A 377 15.398 4.333 -13.380 1.00 0.00 C ATOM 973 O ARG A 377 16.244 5.200 -13.286 1.00 0.00 O ATOM 974 CB ARG A 377 15.197 2.980 -11.287 1.00 0.00 C ATOM 975 CG ARG A 377 14.272 2.620 -10.122 1.00 0.00 C ATOM 976 CD ARG A 377 15.031 1.753 -9.116 1.00 0.00 C ATOM 977 NE ARG A 377 14.072 1.195 -8.120 1.00 0.00 N ATOM 978 CZ ARG A 377 14.370 0.103 -7.470 1.00 0.00 C ATOM 979 NH1 ARG A 377 15.508 -0.498 -7.690 1.00 0.00 N ATOM 980 NH2 ARG A 377 13.530 -0.389 -6.601 1.00 0.00 N ATOM 0 H ARG A 377 13.071 2.404 -12.427 1.00 0.00 H new ATOM 0 HA ARG A 377 14.260 4.887 -11.641 1.00 0.00 H new ATOM 0 HB2 ARG A 377 15.463 2.083 -11.846 1.00 0.00 H new ATOM 0 HB3 ARG A 377 16.126 3.408 -10.910 1.00 0.00 H new ATOM 0 HG2 ARG A 377 13.911 3.527 -9.637 1.00 0.00 H new ATOM 0 HG3 ARG A 377 13.396 2.086 -10.491 1.00 0.00 H new ATOM 0 HD2 ARG A 377 15.547 0.944 -9.633 1.00 0.00 H new ATOM 0 HD3 ARG A 377 15.793 2.346 -8.611 1.00 0.00 H new ATOM 0 HE ARG A 377 13.184 1.666 -7.947 1.00 0.00 H new ATOM 0 HH11 ARG A 377 16.164 -0.114 -8.370 1.00 0.00 H new ATOM 0 HH12 ARG A 377 15.741 -1.351 -7.182 1.00 0.00 H new ATOM 0 HH21 ARG A 377 12.640 0.080 -6.430 1.00 0.00 H new ATOM 0 HH22 ARG A 377 13.763 -1.242 -6.093 1.00 0.00 H new ATOM 994 N ASN A 378 15.232 3.667 -14.490 1.00 0.00 N ATOM 995 CA ASN A 378 16.087 3.966 -15.673 1.00 0.00 C ATOM 996 C ASN A 378 17.559 3.776 -15.301 1.00 0.00 C ATOM 997 O ASN A 378 18.400 4.593 -15.619 1.00 0.00 O ATOM 998 CB ASN A 378 15.856 5.412 -16.115 1.00 0.00 C ATOM 999 CG ASN A 378 16.365 5.598 -17.545 1.00 0.00 C ATOM 1000 OD1 ASN A 378 16.861 4.668 -18.151 1.00 0.00 O ATOM 1001 ND2 ASN A 378 16.264 6.768 -18.115 1.00 0.00 N ATOM 0 H ASN A 378 14.542 2.929 -14.629 1.00 0.00 H new ATOM 0 HA ASN A 378 15.829 3.290 -16.488 1.00 0.00 H new ATOM 0 HB2 ASN A 378 14.795 5.654 -16.061 1.00 0.00 H new ATOM 0 HB3 ASN A 378 16.373 6.096 -15.442 1.00 0.00 H new ATOM 0 HD21 ASN A 378 16.601 6.902 -19.068 1.00 0.00 H new ATOM 0 HD22 ASN A 378 15.848 7.549 -17.607 1.00 0.00 H new ATOM 1008 N ASP A 379 17.878 2.703 -14.628 1.00 0.00 N ATOM 1009 CA ASP A 379 19.295 2.463 -14.237 1.00 0.00 C ATOM 1010 C ASP A 379 20.135 2.217 -15.492 1.00 0.00 C ATOM 1011 O ASP A 379 21.211 1.656 -15.360 1.00 0.00 O ATOM 1012 CB ASP A 379 19.371 1.237 -13.325 1.00 0.00 C ATOM 1013 CG ASP A 379 18.668 1.542 -12.000 1.00 0.00 C ATOM 1014 OD1 ASP A 379 18.385 2.703 -11.756 1.00 0.00 O ATOM 1015 OD2 ASP A 379 18.425 0.609 -11.253 1.00 0.00 O ATOM 1016 OXT ASP A 379 19.689 2.594 -16.563 1.00 0.00 O ATOM 0 H ASP A 379 17.218 1.983 -14.333 1.00 0.00 H new ATOM 0 HA ASP A 379 19.679 3.335 -13.707 1.00 0.00 H new ATOM 0 HB2 ASP A 379 18.902 0.381 -13.809 1.00 0.00 H new ATOM 0 HB3 ASP A 379 20.412 0.970 -13.143 1.00 0.00 H new ATOM 1022 N ALA B 383 5.728 6.301 -0.151 1.00 0.00 N ATOM 1023 CA ALA B 383 5.820 6.511 -1.623 1.00 0.00 C ATOM 1024 C ALA B 383 4.437 6.861 -2.175 1.00 0.00 C ATOM 1025 O ALA B 383 3.803 7.802 -1.739 1.00 0.00 O ATOM 1026 CB ALA B 383 6.328 5.231 -2.291 1.00 0.00 C ATOM 0 HA ALA B 383 6.512 7.327 -1.831 1.00 0.00 H new ATOM 0 HB1 ALA B 383 6.395 5.385 -3.368 1.00 0.00 H new ATOM 0 HB2 ALA B 383 7.314 4.982 -1.898 1.00 0.00 H new ATOM 0 HB3 ALA B 383 5.637 4.414 -2.084 1.00 0.00 H new ATOM 1034 N ARG B 384 3.963 6.112 -3.133 1.00 0.00 N ATOM 1035 CA ARG B 384 2.620 6.402 -3.711 1.00 0.00 C ATOM 1036 C ARG B 384 1.554 5.614 -2.946 1.00 0.00 C ATOM 1037 O ARG B 384 0.863 6.147 -2.102 1.00 0.00 O ATOM 1038 CB ARG B 384 2.620 5.998 -5.195 1.00 0.00 C ATOM 1039 CG ARG B 384 1.223 6.164 -5.813 1.00 0.00 C ATOM 1040 CD ARG B 384 0.875 7.652 -5.948 1.00 0.00 C ATOM 1041 NE ARG B 384 -0.387 7.800 -6.733 1.00 0.00 N ATOM 1042 CZ ARG B 384 -0.348 7.897 -8.039 1.00 0.00 C ATOM 1043 NH1 ARG B 384 0.794 7.870 -8.669 1.00 0.00 N ATOM 1044 NH2 ARG B 384 -1.456 8.027 -8.716 1.00 0.00 N ATOM 0 H ARG B 384 4.447 5.312 -3.540 1.00 0.00 H new ATOM 0 HA ARG B 384 2.396 7.465 -3.626 1.00 0.00 H new ATOM 0 HB2 ARG B 384 3.338 6.609 -5.742 1.00 0.00 H new ATOM 0 HB3 ARG B 384 2.944 4.962 -5.293 1.00 0.00 H new ATOM 0 HG2 ARG B 384 1.192 5.686 -6.792 1.00 0.00 H new ATOM 0 HG3 ARG B 384 0.481 5.665 -5.190 1.00 0.00 H new ATOM 0 HD2 ARG B 384 0.756 8.099 -4.961 1.00 0.00 H new ATOM 0 HD3 ARG B 384 1.688 8.183 -6.443 1.00 0.00 H new ATOM 0 HE ARG B 384 -1.285 7.826 -6.249 1.00 0.00 H new ATOM 0 HH11 ARG B 384 1.664 7.773 -8.145 1.00 0.00 H new ATOM 0 HH12 ARG B 384 0.817 7.946 -9.686 1.00 0.00 H new ATOM 0 HH21 ARG B 384 -2.352 8.053 -8.228 1.00 0.00 H new ATOM 0 HH22 ARG B 384 -1.427 8.103 -9.733 1.00 0.00 H new ATOM 1058 N THR B 385 1.421 4.347 -3.235 1.00 0.00 N ATOM 1059 CA THR B 385 0.403 3.509 -2.529 1.00 0.00 C ATOM 1060 C THR B 385 -0.879 4.316 -2.300 1.00 0.00 C ATOM 1061 O THR B 385 -1.001 5.036 -1.330 1.00 0.00 O ATOM 1062 CB THR B 385 0.962 3.063 -1.176 1.00 0.00 C ATOM 1063 OG1 THR B 385 2.365 2.873 -1.282 1.00 0.00 O ATOM 1064 CG2 THR B 385 0.297 1.751 -0.756 1.00 0.00 C ATOM 0 H THR B 385 1.976 3.852 -3.933 1.00 0.00 H new ATOM 0 HA THR B 385 0.174 2.638 -3.144 1.00 0.00 H new ATOM 0 HB THR B 385 0.756 3.829 -0.428 1.00 0.00 H new ATOM 0 HG1 THR B 385 2.829 3.658 -0.923 1.00 0.00 H new ATOM 0 HG21 THR B 385 0.695 1.433 0.208 1.00 0.00 H new ATOM 0 HG22 THR B 385 -0.780 1.899 -0.673 1.00 0.00 H new ATOM 0 HG23 THR B 385 0.501 0.984 -1.503 1.00 0.00 H new ATOM 1072 N LYS B 386 -1.840 4.198 -3.178 1.00 0.00 N ATOM 1073 CA LYS B 386 -3.108 4.959 -2.986 1.00 0.00 C ATOM 1074 C LYS B 386 -4.015 4.193 -2.020 1.00 0.00 C ATOM 1075 O LYS B 386 -5.044 4.685 -1.597 1.00 0.00 O ATOM 1076 CB LYS B 386 -3.829 5.124 -4.327 1.00 0.00 C ATOM 1077 CG LYS B 386 -2.934 5.887 -5.306 1.00 0.00 C ATOM 1078 CD LYS B 386 -3.780 6.405 -6.471 1.00 0.00 C ATOM 1079 CE LYS B 386 -4.380 5.224 -7.234 1.00 0.00 C ATOM 1080 NZ LYS B 386 -5.808 5.055 -6.843 1.00 0.00 N ATOM 0 H LYS B 386 -1.802 3.613 -4.013 1.00 0.00 H new ATOM 0 HA LYS B 386 -2.876 5.943 -2.579 1.00 0.00 H new ATOM 0 HB2 LYS B 386 -4.082 4.146 -4.737 1.00 0.00 H new ATOM 0 HB3 LYS B 386 -4.766 5.661 -4.183 1.00 0.00 H new ATOM 0 HG2 LYS B 386 -2.447 6.719 -4.798 1.00 0.00 H new ATOM 0 HG3 LYS B 386 -2.144 5.234 -5.678 1.00 0.00 H new ATOM 0 HD2 LYS B 386 -4.574 7.051 -6.098 1.00 0.00 H new ATOM 0 HD3 LYS B 386 -3.166 7.009 -7.139 1.00 0.00 H new ATOM 0 HE2 LYS B 386 -4.303 5.394 -8.308 1.00 0.00 H new ATOM 0 HE3 LYS B 386 -3.822 4.314 -7.015 1.00 0.00 H new ATOM 0 HZ1 LYS B 386 -6.035 4.042 -6.787 1.00 0.00 H new ATOM 0 HZ2 LYS B 386 -5.969 5.498 -5.916 1.00 0.00 H new ATOM 0 HZ3 LYS B 386 -6.418 5.508 -7.553 1.00 0.00 H new ATOM 1094 N GLN B 387 -3.643 2.993 -1.667 1.00 0.00 N ATOM 1095 CA GLN B 387 -4.482 2.196 -0.728 1.00 0.00 C ATOM 1096 C GLN B 387 -4.604 2.942 0.602 1.00 0.00 C ATOM 1097 O GLN B 387 -5.573 2.798 1.320 1.00 0.00 O ATOM 1098 CB GLN B 387 -3.833 0.832 -0.481 1.00 0.00 C ATOM 1099 CG GLN B 387 -3.694 0.071 -1.801 1.00 0.00 C ATOM 1100 CD GLN B 387 -5.071 -0.095 -2.447 1.00 0.00 C ATOM 1101 OE1 GLN B 387 -6.008 -0.526 -1.805 1.00 0.00 O ATOM 1102 NE2 GLN B 387 -5.234 0.231 -3.700 1.00 0.00 N ATOM 0 H GLN B 387 -2.793 2.530 -1.989 1.00 0.00 H new ATOM 0 HA GLN B 387 -5.470 2.053 -1.165 1.00 0.00 H new ATOM 0 HB2 GLN B 387 -2.853 0.964 -0.023 1.00 0.00 H new ATOM 0 HB3 GLN B 387 -4.437 0.255 0.219 1.00 0.00 H new ATOM 0 HG2 GLN B 387 -3.028 0.610 -2.475 1.00 0.00 H new ATOM 0 HG3 GLN B 387 -3.245 -0.906 -1.623 1.00 0.00 H new ATOM 0 HE21 GLN B 387 -4.447 0.593 -4.239 1.00 0.00 H new ATOM 0 HE22 GLN B 387 -6.148 0.124 -4.140 1.00 0.00 H new ATOM 1111 N THR B 388 -3.620 3.729 0.940 1.00 0.00 N ATOM 1112 CA THR B 388 -3.668 4.474 2.229 1.00 0.00 C ATOM 1113 C THR B 388 -4.981 5.255 2.324 1.00 0.00 C ATOM 1114 O THR B 388 -5.542 5.411 3.390 1.00 0.00 O ATOM 1115 CB THR B 388 -2.488 5.447 2.295 1.00 0.00 C ATOM 1116 OG1 THR B 388 -2.636 6.438 1.287 1.00 0.00 O ATOM 1117 CG2 THR B 388 -1.180 4.683 2.074 1.00 0.00 C ATOM 0 H THR B 388 -2.784 3.888 0.378 1.00 0.00 H new ATOM 0 HA THR B 388 -3.608 3.769 3.059 1.00 0.00 H new ATOM 0 HB THR B 388 -2.466 5.925 3.274 1.00 0.00 H new ATOM 0 HG1 THR B 388 -1.882 7.063 1.329 1.00 0.00 H new ATOM 0 HG21 THR B 388 -0.341 5.377 2.121 1.00 0.00 H new ATOM 0 HG22 THR B 388 -1.067 3.924 2.848 1.00 0.00 H new ATOM 0 HG23 THR B 388 -1.200 4.204 1.095 1.00 0.00 H new ATOM 1125 N ALA B 389 -5.478 5.744 1.221 1.00 0.00 N ATOM 1126 CA ALA B 389 -6.758 6.507 1.258 1.00 0.00 C ATOM 1127 C ALA B 389 -7.899 5.607 0.781 1.00 0.00 C ATOM 1128 O ALA B 389 -7.753 4.851 -0.159 1.00 0.00 O ATOM 1129 CB ALA B 389 -6.652 7.726 0.340 1.00 0.00 C ATOM 0 H ALA B 389 -5.055 5.649 0.298 1.00 0.00 H new ATOM 0 HA ALA B 389 -6.956 6.837 2.278 1.00 0.00 H new ATOM 0 HB1 ALA B 389 -7.588 8.284 0.367 1.00 0.00 H new ATOM 0 HB2 ALA B 389 -5.838 8.367 0.678 1.00 0.00 H new ATOM 0 HB3 ALA B 389 -6.455 7.397 -0.680 1.00 0.00 H new ATOM 1135 N ARG B 390 -9.035 5.680 1.420 1.00 0.00 N ATOM 1136 CA ARG B 390 -10.183 4.826 0.998 1.00 0.00 C ATOM 1137 C ARG B 390 -11.105 5.631 0.081 1.00 0.00 C ATOM 1138 O ARG B 390 -12.118 6.152 0.504 1.00 0.00 O ATOM 1139 CB ARG B 390 -10.962 4.373 2.235 1.00 0.00 C ATOM 1140 CG ARG B 390 -10.073 3.475 3.098 1.00 0.00 C ATOM 1141 CD ARG B 390 -10.887 2.931 4.274 1.00 0.00 C ATOM 1142 NE ARG B 390 -11.455 4.069 5.052 1.00 0.00 N ATOM 1143 CZ ARG B 390 -12.493 3.881 5.820 1.00 0.00 C ATOM 1144 NH1 ARG B 390 -13.034 2.696 5.908 1.00 0.00 N ATOM 1145 NH2 ARG B 390 -12.990 4.878 6.501 1.00 0.00 N ATOM 0 H ARG B 390 -9.218 6.293 2.215 1.00 0.00 H new ATOM 0 HA ARG B 390 -9.811 3.952 0.463 1.00 0.00 H new ATOM 0 HB2 ARG B 390 -11.288 5.240 2.810 1.00 0.00 H new ATOM 0 HB3 ARG B 390 -11.860 3.833 1.935 1.00 0.00 H new ATOM 0 HG2 ARG B 390 -9.681 2.651 2.501 1.00 0.00 H new ATOM 0 HG3 ARG B 390 -9.215 4.039 3.465 1.00 0.00 H new ATOM 0 HD2 ARG B 390 -11.689 2.289 3.909 1.00 0.00 H new ATOM 0 HD3 ARG B 390 -10.254 2.317 4.915 1.00 0.00 H new ATOM 0 HE ARG B 390 -11.032 4.995 4.984 1.00 0.00 H new ATOM 0 HH11 ARG B 390 -12.645 1.917 5.376 1.00 0.00 H new ATOM 0 HH12 ARG B 390 -13.845 2.549 6.508 1.00 0.00 H new ATOM 0 HH21 ARG B 390 -12.567 5.804 6.433 1.00 0.00 H new ATOM 0 HH22 ARG B 390 -13.801 4.731 7.101 1.00 0.00 H new ATOM 1159 N LYS B 391 -10.760 5.740 -1.172 1.00 0.00 N ATOM 1160 CA LYS B 391 -11.612 6.515 -2.116 1.00 0.00 C ATOM 1161 C LYS B 391 -13.006 5.883 -2.186 1.00 0.00 C ATOM 1162 O LYS B 391 -14.003 6.569 -2.286 1.00 0.00 O ATOM 1163 CB LYS B 391 -10.972 6.497 -3.507 1.00 0.00 C ATOM 1164 CG LYS B 391 -11.684 7.498 -4.426 1.00 0.00 C ATOM 1165 CD LYS B 391 -11.159 8.915 -4.162 1.00 0.00 C ATOM 1166 CE LYS B 391 -11.656 9.858 -5.258 1.00 0.00 C ATOM 1167 NZ LYS B 391 -13.118 10.089 -5.095 1.00 0.00 N ATOM 0 H LYS B 391 -9.924 5.325 -1.583 1.00 0.00 H new ATOM 0 HA LYS B 391 -11.699 7.544 -1.767 1.00 0.00 H new ATOM 0 HB2 LYS B 391 -9.914 6.748 -3.433 1.00 0.00 H new ATOM 0 HB3 LYS B 391 -11.033 5.495 -3.931 1.00 0.00 H new ATOM 0 HG2 LYS B 391 -11.519 7.228 -5.469 1.00 0.00 H new ATOM 0 HG3 LYS B 391 -12.760 7.461 -4.254 1.00 0.00 H new ATOM 0 HD2 LYS B 391 -11.498 9.264 -3.187 1.00 0.00 H new ATOM 0 HD3 LYS B 391 -10.069 8.911 -4.138 1.00 0.00 H new ATOM 0 HE2 LYS B 391 -11.120 10.806 -5.206 1.00 0.00 H new ATOM 0 HE3 LYS B 391 -11.453 9.430 -6.240 1.00 0.00 H new ATOM 0 HZ1 LYS B 391 -13.364 11.030 -5.463 1.00 0.00 H new ATOM 0 HZ2 LYS B 391 -13.645 9.363 -5.621 1.00 0.00 H new ATOM 0 HZ3 LYS B 391 -13.368 10.036 -4.087 1.00 0.00 H new ATOM 1181 N SER B 392 -13.083 4.578 -2.139 1.00 0.00 N ATOM 1182 CA SER B 392 -14.411 3.902 -2.207 1.00 0.00 C ATOM 1183 C SER B 392 -14.862 3.513 -0.796 1.00 0.00 C ATOM 1184 O SER B 392 -14.060 3.373 0.106 1.00 0.00 O ATOM 1185 CB SER B 392 -14.297 2.641 -3.063 1.00 0.00 C ATOM 1186 OG SER B 392 -13.580 1.648 -2.343 1.00 0.00 O ATOM 0 H SER B 392 -12.282 3.952 -2.056 1.00 0.00 H new ATOM 0 HA SER B 392 -15.139 4.582 -2.649 1.00 0.00 H new ATOM 0 HB2 SER B 392 -15.290 2.273 -3.323 1.00 0.00 H new ATOM 0 HB3 SER B 392 -13.786 2.868 -3.999 1.00 0.00 H new ATOM 0 HG SER B 392 -13.890 0.759 -2.614 1.00 0.00 H new