USER MOD reduce.3.24.130724 H: found=0, std=0, add=566, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 567 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 28 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 33 CYS SG : rot 39:sc= 0.0224 USER MOD Set 2.1: A 5 MET CE :methyl 169:sc= -0.0138 (180deg=-0.228) USER MOD Set 2.2: A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 10 TYR OH : rot -67:sc= 0.541 USER MOD Single : A 13 ASN : amide:sc= -1.1 X(o=-1.1,f=-1) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 GLN : amide:sc= -1.49! K(o=-1.5!,f=-0.03) USER MOD Single : A 29 GLN : amide:sc= 0.302 X(o=0.3,f=-0.16) USER MOD Single : A 34 LYS NZ :NH3+ 160:sc= 1.25 (180deg=1.15) USER MOD Single : A 35 ASN : amide:sc= 0.489 K(o=0.49,f=-1.9) USER MOD Single : A 36 CYS SG : rot 112:sc= -0.799 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 MET CE :methyl -138:sc= -0.966 (180deg=-4.12!) USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 CYS SG : rot 180:sc= 0 USER MOD Single : A 54 HIS : no HD1:sc= -1.94! K(o=-1.9!,f=-0.64) USER MOD Single : A 56 HIS : no HD1:sc= -1.28 K(o=-1.3,f=-0.068) USER MOD Single : A 58 HIS : no HE2:sc= -0.293! C(o=-0.29!,f=-5.5!) USER MOD Single : A 66 MET CE :methyl -167:sc= -0.417 (180deg=-0.643) USER MOD Single : A 67 ASN : amide:sc= 0.156 K(o=0.16,f=-1.7) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 MET CE :methyl -120:sc= -0.309 (180deg=-1.89) USER MOD Single : A 74 LYS NZ :NH3+ 177:sc= 0.873 (180deg=0.869) USER MOD Single : A 77 LYS NZ :NH3+ -127:sc= 1.22 (180deg=0.499) USER MOD Single : A 79 ASN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 62 N MET A 5 -6.034 -12.496 -1.063 1.00 0.00 N ATOM 63 CA MET A 5 -5.141 -11.359 -1.243 1.00 0.00 C ATOM 64 C MET A 5 -5.881 -10.142 -1.806 1.00 0.00 C ATOM 65 O MET A 5 -5.698 -9.788 -2.968 1.00 0.00 O ATOM 66 CB MET A 5 -4.008 -11.757 -2.196 1.00 0.00 C ATOM 67 CG MET A 5 -3.287 -13.032 -1.785 1.00 0.00 C ATOM 68 SD MET A 5 -2.195 -13.670 -3.074 1.00 0.00 S ATOM 69 CE MET A 5 -1.056 -12.303 -3.267 1.00 0.00 C ATOM 0 HA MET A 5 -4.739 -11.083 -0.268 1.00 0.00 H new ATOM 0 HB2 MET A 5 -4.416 -11.887 -3.198 1.00 0.00 H new ATOM 0 HB3 MET A 5 -3.286 -10.942 -2.249 1.00 0.00 H new ATOM 0 HG2 MET A 5 -2.704 -12.839 -0.885 1.00 0.00 H new ATOM 0 HG3 MET A 5 -4.024 -13.794 -1.530 1.00 0.00 H new ATOM 0 HE1 MET A 5 -0.212 -12.617 -3.881 1.00 0.00 H new ATOM 0 HE2 MET A 5 -1.566 -11.470 -3.750 1.00 0.00 H new ATOM 0 HE3 MET A 5 -0.695 -11.989 -2.288 1.00 0.00 H new ATOM 79 N PRO A 6 -6.730 -9.481 -0.998 1.00 0.00 N ATOM 80 CA PRO A 6 -7.448 -8.275 -1.428 1.00 0.00 C ATOM 81 C PRO A 6 -6.531 -7.052 -1.531 1.00 0.00 C ATOM 82 O PRO A 6 -6.578 -6.310 -2.513 1.00 0.00 O ATOM 83 CB PRO A 6 -8.504 -8.059 -0.333 1.00 0.00 C ATOM 84 CG PRO A 6 -8.488 -9.302 0.496 1.00 0.00 C ATOM 85 CD PRO A 6 -7.103 -9.867 0.368 1.00 0.00 C ATOM 0 HA PRO A 6 -7.873 -8.399 -2.424 1.00 0.00 H new ATOM 0 HB2 PRO A 6 -8.268 -7.183 0.271 1.00 0.00 H new ATOM 0 HB3 PRO A 6 -9.489 -7.891 -0.767 1.00 0.00 H new ATOM 0 HG2 PRO A 6 -8.724 -9.080 1.537 1.00 0.00 H new ATOM 0 HG3 PRO A 6 -9.234 -10.015 0.145 1.00 0.00 H new ATOM 0 HD2 PRO A 6 -6.423 -9.447 1.109 1.00 0.00 H new ATOM 0 HD3 PRO A 6 -7.092 -10.949 0.502 1.00 0.00 H new ATOM 93 N LYS A 7 -5.699 -6.864 -0.497 1.00 0.00 N ATOM 94 CA LYS A 7 -4.729 -5.757 -0.413 1.00 0.00 C ATOM 95 C LYS A 7 -5.407 -4.399 -0.197 1.00 0.00 C ATOM 96 O LYS A 7 -5.082 -3.684 0.746 1.00 0.00 O ATOM 97 CB LYS A 7 -3.829 -5.678 -1.653 1.00 0.00 C ATOM 98 CG LYS A 7 -2.875 -6.848 -1.820 1.00 0.00 C ATOM 99 CD LYS A 7 -1.676 -6.445 -2.669 1.00 0.00 C ATOM 100 CE LYS A 7 -0.740 -7.615 -2.925 1.00 0.00 C ATOM 101 NZ LYS A 7 -1.249 -8.510 -3.998 1.00 0.00 N ATOM 0 H LYS A 7 -5.678 -7.482 0.315 1.00 0.00 H new ATOM 0 HA LYS A 7 -4.112 -5.981 0.457 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -4.460 -5.612 -2.539 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -3.248 -4.757 -1.606 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -2.536 -7.191 -0.842 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -3.395 -7.684 -2.288 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -2.024 -6.044 -3.621 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -1.129 -5.646 -2.168 1.00 0.00 H new ATOM 0 HE2 LYS A 7 0.244 -7.238 -3.204 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -0.614 -8.187 -2.005 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -0.582 -9.295 -4.141 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -2.177 -8.891 -3.722 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -1.345 -7.972 -4.883 1.00 0.00 H new ATOM 115 N THR A 8 -6.336 -4.058 -1.077 1.00 0.00 N ATOM 116 CA THR A 8 -6.968 -2.745 -1.068 1.00 0.00 C ATOM 117 C THR A 8 -8.114 -2.679 -0.059 1.00 0.00 C ATOM 118 O THR A 8 -8.885 -3.631 0.090 1.00 0.00 O ATOM 119 CB THR A 8 -7.489 -2.392 -2.478 1.00 0.00 C ATOM 120 OG1 THR A 8 -6.420 -2.522 -3.425 1.00 0.00 O ATOM 121 CG2 THR A 8 -8.044 -0.975 -2.531 1.00 0.00 C ATOM 0 H THR A 8 -6.672 -4.678 -1.814 1.00 0.00 H new ATOM 0 HA THR A 8 -6.213 -2.018 -0.769 1.00 0.00 H new ATOM 0 HB THR A 8 -8.298 -3.080 -2.723 1.00 0.00 H new ATOM 0 HG1 THR A 8 -6.748 -2.300 -4.321 1.00 0.00 H new ATOM 0 HG21 THR A 8 -8.401 -0.762 -3.538 1.00 0.00 H new ATOM 0 HG22 THR A 8 -8.870 -0.881 -1.826 1.00 0.00 H new ATOM 0 HG23 THR A 8 -7.259 -0.267 -2.267 1.00 0.00 H new ATOM 129 N LEU A 9 -8.210 -1.557 0.641 1.00 0.00 N ATOM 130 CA LEU A 9 -9.269 -1.354 1.620 1.00 0.00 C ATOM 131 C LEU A 9 -10.453 -0.633 0.993 1.00 0.00 C ATOM 132 O LEU A 9 -10.284 0.302 0.206 1.00 0.00 O ATOM 133 CB LEU A 9 -8.763 -0.559 2.832 1.00 0.00 C ATOM 134 CG LEU A 9 -7.841 -1.318 3.792 1.00 0.00 C ATOM 135 CD1 LEU A 9 -8.482 -2.619 4.241 1.00 0.00 C ATOM 136 CD2 LEU A 9 -6.491 -1.584 3.154 1.00 0.00 C ATOM 0 H LEU A 9 -7.566 -0.772 0.549 1.00 0.00 H new ATOM 0 HA LEU A 9 -9.591 -2.338 1.960 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -8.232 0.321 2.469 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -9.626 -0.202 3.394 1.00 0.00 H new ATOM 0 HG LEU A 9 -7.685 -0.691 4.670 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -7.809 -3.140 4.922 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -9.421 -2.405 4.752 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -8.677 -3.247 3.372 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -5.856 -2.124 3.857 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -6.626 -2.183 2.253 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -6.019 -0.637 2.893 1.00 0.00 H new ATOM 148 N TYR A 10 -11.642 -1.083 1.347 1.00 0.00 N ATOM 149 CA TYR A 10 -12.878 -0.506 0.853 1.00 0.00 C ATOM 150 C TYR A 10 -13.521 0.338 1.947 1.00 0.00 C ATOM 151 O TYR A 10 -14.060 -0.200 2.915 1.00 0.00 O ATOM 152 CB TYR A 10 -13.832 -1.627 0.418 1.00 0.00 C ATOM 153 CG TYR A 10 -15.138 -1.152 -0.185 1.00 0.00 C ATOM 154 CD1 TYR A 10 -15.281 -1.018 -1.558 1.00 0.00 C ATOM 155 CD2 TYR A 10 -16.228 -0.847 0.620 1.00 0.00 C ATOM 156 CE1 TYR A 10 -16.473 -0.596 -2.114 1.00 0.00 C ATOM 157 CE2 TYR A 10 -17.423 -0.423 0.073 1.00 0.00 C ATOM 158 CZ TYR A 10 -17.540 -0.298 -1.294 1.00 0.00 C ATOM 159 OH TYR A 10 -18.730 0.120 -1.844 1.00 0.00 O ATOM 0 H TYR A 10 -11.778 -1.864 1.989 1.00 0.00 H new ATOM 0 HA TYR A 10 -12.666 0.131 -0.006 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -13.321 -2.258 -0.309 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -14.054 -2.252 1.283 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -14.446 -1.248 -2.203 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -16.139 -0.943 1.692 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -16.568 -0.500 -3.185 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -18.261 -0.191 0.713 1.00 0.00 H new ATOM 0 HH TYR A 10 -18.608 0.999 -2.259 1.00 0.00 H new ATOM 169 N VAL A 11 -13.436 1.653 1.806 1.00 0.00 N ATOM 170 CA VAL A 11 -14.038 2.557 2.776 1.00 0.00 C ATOM 171 C VAL A 11 -15.219 3.298 2.162 1.00 0.00 C ATOM 172 O VAL A 11 -15.049 4.120 1.265 1.00 0.00 O ATOM 173 CB VAL A 11 -13.014 3.575 3.326 1.00 0.00 C ATOM 174 CG1 VAL A 11 -13.672 4.514 4.333 1.00 0.00 C ATOM 175 CG2 VAL A 11 -11.838 2.850 3.961 1.00 0.00 C ATOM 0 H VAL A 11 -12.958 2.116 1.033 1.00 0.00 H new ATOM 0 HA VAL A 11 -14.389 1.946 3.607 1.00 0.00 H new ATOM 0 HB VAL A 11 -12.645 4.175 2.494 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -12.933 5.222 4.707 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -14.482 5.058 3.848 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -14.072 3.934 5.164 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -11.125 3.580 4.344 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -12.195 2.226 4.781 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -11.350 2.224 3.214 1.00 0.00 H new ATOM 185 N GLY A 12 -16.416 3.004 2.653 1.00 0.00 N ATOM 186 CA GLY A 12 -17.611 3.614 2.100 1.00 0.00 C ATOM 187 C GLY A 12 -18.275 4.579 3.060 1.00 0.00 C ATOM 188 O GLY A 12 -17.704 4.921 4.103 1.00 0.00 O ATOM 0 H GLY A 12 -16.581 2.355 3.423 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -17.352 4.142 1.182 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -18.321 2.832 1.829 1.00 0.00 H new ATOM 192 N ASN A 13 -19.481 5.014 2.700 1.00 0.00 N ATOM 193 CA ASN A 13 -20.265 5.947 3.507 1.00 0.00 C ATOM 194 C ASN A 13 -19.547 7.279 3.661 1.00 0.00 C ATOM 195 O ASN A 13 -19.499 7.837 4.754 1.00 0.00 O ATOM 196 CB ASN A 13 -20.579 5.361 4.893 1.00 0.00 C ATOM 197 CG ASN A 13 -21.815 4.476 4.916 1.00 0.00 C ATOM 198 OD1 ASN A 13 -22.485 4.363 5.944 1.00 0.00 O ATOM 199 ND2 ASN A 13 -22.139 3.848 3.797 1.00 0.00 N ATOM 0 H ASN A 13 -19.944 4.728 1.837 1.00 0.00 H new ATOM 0 HA ASN A 13 -21.204 6.115 2.980 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -19.722 4.782 5.236 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -20.715 6.178 5.601 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -22.964 3.249 3.769 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -21.563 3.963 2.963 1.00 0.00 H new ATOM 206 N LEU A 14 -18.976 7.777 2.573 1.00 0.00 N ATOM 207 CA LEU A 14 -18.289 9.065 2.595 1.00 0.00 C ATOM 208 C LEU A 14 -19.276 10.216 2.758 1.00 0.00 C ATOM 209 O LEU A 14 -20.462 10.085 2.450 1.00 0.00 O ATOM 210 CB LEU A 14 -17.460 9.261 1.323 1.00 0.00 C ATOM 211 CG LEU A 14 -16.105 8.545 1.306 1.00 0.00 C ATOM 212 CD1 LEU A 14 -15.443 8.690 -0.052 1.00 0.00 C ATOM 213 CD2 LEU A 14 -15.200 9.099 2.396 1.00 0.00 C ATOM 0 H LEU A 14 -18.974 7.312 1.665 1.00 0.00 H new ATOM 0 HA LEU A 14 -17.619 9.064 3.455 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -18.045 8.915 0.471 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -17.290 10.328 1.181 1.00 0.00 H new ATOM 0 HG LEU A 14 -16.273 7.485 1.497 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -14.482 8.175 -0.045 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -16.084 8.252 -0.818 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -15.287 9.747 -0.270 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -14.241 8.581 2.371 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -15.041 10.164 2.230 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -15.668 8.949 3.369 1.00 0.00 H new ATOM 225 N SER A 15 -18.772 11.338 3.247 1.00 0.00 N ATOM 226 CA SER A 15 -19.588 12.514 3.477 1.00 0.00 C ATOM 227 C SER A 15 -18.914 13.748 2.887 1.00 0.00 C ATOM 228 O SER A 15 -17.702 13.740 2.672 1.00 0.00 O ATOM 229 CB SER A 15 -19.835 12.697 4.979 1.00 0.00 C ATOM 230 OG SER A 15 -20.484 11.560 5.521 1.00 0.00 O ATOM 0 H SER A 15 -17.789 11.457 3.494 1.00 0.00 H new ATOM 0 HA SER A 15 -20.550 12.380 2.982 1.00 0.00 H new ATOM 0 HB2 SER A 15 -18.887 12.860 5.492 1.00 0.00 H new ATOM 0 HB3 SER A 15 -20.445 13.585 5.147 1.00 0.00 H new ATOM 0 HG SER A 15 -20.632 11.694 6.480 1.00 0.00 H new ATOM 236 N ARG A 16 -19.684 14.794 2.626 1.00 0.00 N ATOM 237 CA ARG A 16 -19.155 15.991 1.974 1.00 0.00 C ATOM 238 C ARG A 16 -18.008 16.604 2.773 1.00 0.00 C ATOM 239 O ARG A 16 -16.991 17.009 2.203 1.00 0.00 O ATOM 240 CB ARG A 16 -20.261 17.035 1.767 1.00 0.00 C ATOM 241 CG ARG A 16 -21.111 16.818 0.519 1.00 0.00 C ATOM 242 CD ARG A 16 -21.830 15.476 0.530 1.00 0.00 C ATOM 243 NE ARG A 16 -22.717 15.321 1.686 1.00 0.00 N ATOM 244 CZ ARG A 16 -23.630 14.357 1.804 1.00 0.00 C ATOM 245 NH1 ARG A 16 -23.850 13.510 0.799 1.00 0.00 N ATOM 246 NH2 ARG A 16 -24.343 14.258 2.922 1.00 0.00 N ATOM 0 H ARG A 16 -20.677 14.842 2.854 1.00 0.00 H new ATOM 0 HA ARG A 16 -18.769 15.684 1.002 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -20.913 17.033 2.640 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -19.805 18.023 1.713 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -21.845 17.619 0.440 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -20.476 16.879 -0.365 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -22.412 15.372 -0.386 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -21.093 14.673 0.532 1.00 0.00 H new ATOM 0 HE ARG A 16 -22.630 15.993 2.448 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -23.318 13.597 -0.067 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -24.550 12.775 0.896 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -24.190 14.918 3.684 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -25.043 13.522 3.017 1.00 0.00 H new ATOM 260 N ASP A 17 -18.160 16.643 4.094 1.00 0.00 N ATOM 261 CA ASP A 17 -17.164 17.270 4.961 1.00 0.00 C ATOM 262 C ASP A 17 -15.959 16.351 5.174 1.00 0.00 C ATOM 263 O ASP A 17 -15.008 16.708 5.866 1.00 0.00 O ATOM 264 CB ASP A 17 -17.790 17.640 6.309 1.00 0.00 C ATOM 265 CG ASP A 17 -16.999 18.702 7.053 1.00 0.00 C ATOM 266 OD1 ASP A 17 -17.105 19.892 6.678 1.00 0.00 O ATOM 267 OD2 ASP A 17 -16.289 18.361 8.022 1.00 0.00 O ATOM 0 H ASP A 17 -18.961 16.249 4.588 1.00 0.00 H new ATOM 0 HA ASP A 17 -16.815 18.178 4.470 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -18.807 17.998 6.146 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -17.862 16.746 6.929 1.00 0.00 H new ATOM 272 N VAL A 18 -16.001 15.163 4.579 1.00 0.00 N ATOM 273 CA VAL A 18 -14.879 14.241 4.659 1.00 0.00 C ATOM 274 C VAL A 18 -13.897 14.514 3.530 1.00 0.00 C ATOM 275 O VAL A 18 -14.193 14.256 2.360 1.00 0.00 O ATOM 276 CB VAL A 18 -15.324 12.762 4.597 1.00 0.00 C ATOM 277 CG1 VAL A 18 -14.117 11.836 4.657 1.00 0.00 C ATOM 278 CG2 VAL A 18 -16.293 12.445 5.726 1.00 0.00 C ATOM 0 H VAL A 18 -16.796 14.820 4.040 1.00 0.00 H new ATOM 0 HA VAL A 18 -14.402 14.406 5.625 1.00 0.00 H new ATOM 0 HB VAL A 18 -15.836 12.600 3.649 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -14.451 10.799 4.612 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -13.458 12.042 3.813 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -13.576 12.003 5.589 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -16.594 11.399 5.664 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -15.807 12.627 6.685 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -17.173 13.082 5.639 1.00 0.00 H new ATOM 288 N THR A 19 -12.745 15.058 3.880 1.00 0.00 N ATOM 289 CA THR A 19 -11.721 15.351 2.898 1.00 0.00 C ATOM 290 C THR A 19 -10.802 14.147 2.688 1.00 0.00 C ATOM 291 O THR A 19 -10.514 13.388 3.621 1.00 0.00 O ATOM 292 CB THR A 19 -10.886 16.583 3.309 1.00 0.00 C ATOM 293 OG1 THR A 19 -9.961 16.927 2.267 1.00 0.00 O ATOM 294 CG2 THR A 19 -10.127 16.335 4.606 1.00 0.00 C ATOM 0 H THR A 19 -12.497 15.305 4.838 1.00 0.00 H new ATOM 0 HA THR A 19 -12.227 15.574 1.959 1.00 0.00 H new ATOM 0 HB THR A 19 -11.577 17.410 3.470 1.00 0.00 H new ATOM 0 HG1 THR A 19 -9.439 17.710 2.539 1.00 0.00 H new ATOM 0 HG21 THR A 19 -9.550 17.223 4.865 1.00 0.00 H new ATOM 0 HG22 THR A 19 -10.835 16.116 5.405 1.00 0.00 H new ATOM 0 HG23 THR A 19 -9.452 15.489 4.477 1.00 0.00 H new ATOM 302 N GLU A 20 -10.367 13.983 1.443 1.00 0.00 N ATOM 303 CA GLU A 20 -9.424 12.937 1.062 1.00 0.00 C ATOM 304 C GLU A 20 -8.143 13.035 1.886 1.00 0.00 C ATOM 305 O GLU A 20 -7.588 12.021 2.318 1.00 0.00 O ATOM 306 CB GLU A 20 -9.099 13.071 -0.426 1.00 0.00 C ATOM 307 CG GLU A 20 -8.065 12.080 -0.926 1.00 0.00 C ATOM 308 CD GLU A 20 -7.660 12.350 -2.356 1.00 0.00 C ATOM 309 OE1 GLU A 20 -8.230 11.716 -3.269 1.00 0.00 O ATOM 310 OE2 GLU A 20 -6.783 13.209 -2.579 1.00 0.00 O ATOM 0 H GLU A 20 -10.660 14.575 0.666 1.00 0.00 H new ATOM 0 HA GLU A 20 -9.878 11.965 1.255 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -10.017 12.943 -1.000 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -8.741 14.082 -0.619 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -7.184 12.123 -0.286 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -8.466 11.069 -0.848 1.00 0.00 H new ATOM 317 N ALA A 21 -7.698 14.267 2.114 1.00 0.00 N ATOM 318 CA ALA A 21 -6.457 14.522 2.836 1.00 0.00 C ATOM 319 C ALA A 21 -6.465 13.880 4.220 1.00 0.00 C ATOM 320 O ALA A 21 -5.484 13.257 4.627 1.00 0.00 O ATOM 321 CB ALA A 21 -6.217 16.018 2.955 1.00 0.00 C ATOM 0 H ALA A 21 -8.183 15.110 1.806 1.00 0.00 H new ATOM 0 HA ALA A 21 -5.645 14.070 2.266 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -5.288 16.195 3.496 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -6.146 16.456 1.959 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -7.045 16.477 3.495 1.00 0.00 H new ATOM 327 N LEU A 22 -7.582 14.014 4.925 1.00 0.00 N ATOM 328 CA LEU A 22 -7.700 13.490 6.281 1.00 0.00 C ATOM 329 C LEU A 22 -7.691 11.967 6.276 1.00 0.00 C ATOM 330 O LEU A 22 -6.901 11.345 6.988 1.00 0.00 O ATOM 331 CB LEU A 22 -8.976 14.003 6.950 1.00 0.00 C ATOM 332 CG LEU A 22 -9.216 13.485 8.371 1.00 0.00 C ATOM 333 CD1 LEU A 22 -8.102 13.933 9.305 1.00 0.00 C ATOM 334 CD2 LEU A 22 -10.565 13.952 8.892 1.00 0.00 C ATOM 0 H LEU A 22 -8.420 14.482 4.580 1.00 0.00 H new ATOM 0 HA LEU A 22 -6.840 13.841 6.851 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -8.941 15.092 6.978 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -9.829 13.727 6.330 1.00 0.00 H new ATOM 0 HG LEU A 22 -9.218 12.396 8.337 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -8.294 13.553 10.309 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -7.149 13.545 8.946 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -8.064 15.022 9.330 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -10.716 13.573 9.903 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -10.593 15.042 8.905 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -11.356 13.577 8.242 1.00 0.00 H new ATOM 346 N ILE A 23 -8.571 11.384 5.468 1.00 0.00 N ATOM 347 CA ILE A 23 -8.679 9.932 5.355 1.00 0.00 C ATOM 348 C ILE A 23 -7.320 9.294 5.063 1.00 0.00 C ATOM 349 O ILE A 23 -6.868 8.413 5.798 1.00 0.00 O ATOM 350 CB ILE A 23 -9.689 9.544 4.249 1.00 0.00 C ATOM 351 CG1 ILE A 23 -11.093 10.034 4.616 1.00 0.00 C ATOM 352 CG2 ILE A 23 -9.694 8.039 4.015 1.00 0.00 C ATOM 353 CD1 ILE A 23 -11.620 9.457 5.915 1.00 0.00 C ATOM 0 H ILE A 23 -9.224 11.899 4.878 1.00 0.00 H new ATOM 0 HA ILE A 23 -9.037 9.555 6.313 1.00 0.00 H new ATOM 0 HB ILE A 23 -9.380 10.027 3.322 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -11.081 11.121 4.690 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -11.780 9.777 3.810 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -10.413 7.795 3.233 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -8.700 7.715 3.708 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -9.973 7.528 4.937 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -12.618 9.849 6.109 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -11.666 8.371 5.839 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -10.956 9.736 6.733 1.00 0.00 H new ATOM 365 N LEU A 24 -6.660 9.767 4.012 1.00 0.00 N ATOM 366 CA LEU A 24 -5.365 9.224 3.611 1.00 0.00 C ATOM 367 C LEU A 24 -4.315 9.423 4.696 1.00 0.00 C ATOM 368 O LEU A 24 -3.496 8.541 4.936 1.00 0.00 O ATOM 369 CB LEU A 24 -4.891 9.860 2.305 1.00 0.00 C ATOM 370 CG LEU A 24 -5.346 9.149 1.032 1.00 0.00 C ATOM 371 CD1 LEU A 24 -6.860 9.172 0.902 1.00 0.00 C ATOM 372 CD2 LEU A 24 -4.690 9.787 -0.179 1.00 0.00 C ATOM 0 H LEU A 24 -7.000 10.526 3.421 1.00 0.00 H new ATOM 0 HA LEU A 24 -5.497 8.153 3.457 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -5.244 10.891 2.272 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -3.802 9.897 2.312 1.00 0.00 H new ATOM 0 HG LEU A 24 -5.038 8.105 1.090 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -7.154 8.659 -0.013 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -7.307 8.669 1.760 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -7.206 10.205 0.866 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -5.019 9.275 -1.083 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -4.973 10.838 -0.234 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -3.607 9.707 -0.090 1.00 0.00 H new ATOM 384 N GLN A 25 -4.348 10.575 5.354 1.00 0.00 N ATOM 385 CA GLN A 25 -3.394 10.882 6.416 1.00 0.00 C ATOM 386 C GLN A 25 -3.492 9.863 7.550 1.00 0.00 C ATOM 387 O GLN A 25 -2.474 9.387 8.060 1.00 0.00 O ATOM 388 CB GLN A 25 -3.646 12.287 6.960 1.00 0.00 C ATOM 389 CG GLN A 25 -2.755 12.653 8.134 1.00 0.00 C ATOM 390 CD GLN A 25 -3.113 13.995 8.736 1.00 0.00 C ATOM 391 OE1 GLN A 25 -2.258 14.695 9.272 1.00 0.00 O ATOM 392 NE2 GLN A 25 -4.383 14.360 8.653 1.00 0.00 N ATOM 0 H GLN A 25 -5.026 11.315 5.171 1.00 0.00 H new ATOM 0 HA GLN A 25 -2.390 10.834 5.994 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -3.493 13.010 6.159 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -4.689 12.367 7.267 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -2.834 11.882 8.900 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -1.716 12.671 7.806 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -5.061 13.748 8.199 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -4.683 15.253 9.043 1.00 0.00 H new ATOM 401 N LEU A 26 -4.720 9.532 7.932 1.00 0.00 N ATOM 402 CA LEU A 26 -4.952 8.572 9.003 1.00 0.00 C ATOM 403 C LEU A 26 -4.413 7.197 8.626 1.00 0.00 C ATOM 404 O LEU A 26 -3.768 6.527 9.435 1.00 0.00 O ATOM 405 CB LEU A 26 -6.438 8.485 9.331 1.00 0.00 C ATOM 406 CG LEU A 26 -7.051 9.784 9.847 1.00 0.00 C ATOM 407 CD1 LEU A 26 -8.459 9.530 10.334 1.00 0.00 C ATOM 408 CD2 LEU A 26 -6.202 10.381 10.959 1.00 0.00 C ATOM 0 H LEU A 26 -5.569 9.914 7.516 1.00 0.00 H new ATOM 0 HA LEU A 26 -4.419 8.918 9.888 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -6.977 8.175 8.436 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -6.587 7.706 10.079 1.00 0.00 H new ATOM 0 HG LEU A 26 -7.083 10.502 9.028 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -8.891 10.461 10.701 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -9.065 9.148 9.512 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -8.438 8.797 11.141 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -6.660 11.306 11.310 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -6.135 9.673 11.785 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -5.202 10.592 10.580 1.00 0.00 H new ATOM 420 N PHE A 27 -4.663 6.793 7.386 1.00 0.00 N ATOM 421 CA PHE A 27 -4.178 5.515 6.883 1.00 0.00 C ATOM 422 C PHE A 27 -2.662 5.536 6.696 1.00 0.00 C ATOM 423 O PHE A 27 -1.994 4.523 6.887 1.00 0.00 O ATOM 424 CB PHE A 27 -4.869 5.160 5.566 1.00 0.00 C ATOM 425 CG PHE A 27 -6.294 4.714 5.735 1.00 0.00 C ATOM 426 CD1 PHE A 27 -6.589 3.562 6.445 1.00 0.00 C ATOM 427 CD2 PHE A 27 -7.335 5.437 5.180 1.00 0.00 C ATOM 428 CE1 PHE A 27 -7.895 3.139 6.600 1.00 0.00 C ATOM 429 CE2 PHE A 27 -8.644 5.019 5.332 1.00 0.00 C ATOM 430 CZ PHE A 27 -8.924 3.871 6.043 1.00 0.00 C ATOM 0 H PHE A 27 -5.201 7.335 6.709 1.00 0.00 H new ATOM 0 HA PHE A 27 -4.418 4.751 7.623 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -4.845 6.028 4.907 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -4.306 4.369 5.072 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -5.787 2.987 6.883 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -7.123 6.337 4.622 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -8.110 2.238 7.155 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -9.448 5.592 4.894 1.00 0.00 H new ATOM 0 HZ PHE A 27 -9.947 3.545 6.164 1.00 0.00 H new ATOM 440 N SER A 28 -2.129 6.700 6.337 1.00 0.00 N ATOM 441 CA SER A 28 -0.695 6.864 6.134 1.00 0.00 C ATOM 442 C SER A 28 0.059 6.696 7.449 1.00 0.00 C ATOM 443 O SER A 28 1.243 6.355 7.458 1.00 0.00 O ATOM 444 CB SER A 28 -0.396 8.238 5.526 1.00 0.00 C ATOM 445 OG SER A 28 0.985 8.382 5.228 1.00 0.00 O ATOM 0 H SER A 28 -2.674 7.548 6.180 1.00 0.00 H new ATOM 0 HA SER A 28 -0.358 6.092 5.442 1.00 0.00 H new ATOM 0 HB2 SER A 28 -0.982 8.371 4.617 1.00 0.00 H new ATOM 0 HB3 SER A 28 -0.704 9.020 6.220 1.00 0.00 H new ATOM 0 HG SER A 28 1.145 9.268 4.840 1.00 0.00 H new ATOM 451 N GLN A 29 -0.627 6.943 8.558 1.00 0.00 N ATOM 452 CA GLN A 29 -0.036 6.738 9.869 1.00 0.00 C ATOM 453 C GLN A 29 0.058 5.242 10.182 1.00 0.00 C ATOM 454 O GLN A 29 0.912 4.808 10.957 1.00 0.00 O ATOM 455 CB GLN A 29 -0.855 7.466 10.940 1.00 0.00 C ATOM 456 CG GLN A 29 -0.235 7.412 12.330 1.00 0.00 C ATOM 457 CD GLN A 29 1.173 7.979 12.366 1.00 0.00 C ATOM 458 OE1 GLN A 29 1.378 9.170 12.600 1.00 0.00 O ATOM 459 NE2 GLN A 29 2.158 7.126 12.140 1.00 0.00 N ATOM 0 H GLN A 29 -1.588 7.284 8.574 1.00 0.00 H new ATOM 0 HA GLN A 29 0.973 7.151 9.868 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -0.975 8.509 10.646 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -1.853 7.029 10.980 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -0.864 7.968 13.026 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -0.215 6.378 12.674 1.00 0.00 H new ATOM 0 HE21 GLN A 29 1.950 6.146 11.949 1.00 0.00 H new ATOM 0 HE22 GLN A 29 3.126 7.448 12.156 1.00 0.00 H new ATOM 468 N ILE A 30 -0.814 4.456 9.558 1.00 0.00 N ATOM 469 CA ILE A 30 -0.813 3.012 9.747 1.00 0.00 C ATOM 470 C ILE A 30 0.171 2.352 8.791 1.00 0.00 C ATOM 471 O ILE A 30 1.029 1.570 9.204 1.00 0.00 O ATOM 472 CB ILE A 30 -2.218 2.401 9.535 1.00 0.00 C ATOM 473 CG1 ILE A 30 -3.231 3.032 10.500 1.00 0.00 C ATOM 474 CG2 ILE A 30 -2.178 0.887 9.716 1.00 0.00 C ATOM 475 CD1 ILE A 30 -2.873 2.860 11.966 1.00 0.00 C ATOM 0 H ILE A 30 -1.530 4.797 8.917 1.00 0.00 H new ATOM 0 HA ILE A 30 -0.510 2.824 10.777 1.00 0.00 H new ATOM 0 HB ILE A 30 -2.535 2.616 8.514 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -3.315 4.096 10.279 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -4.212 2.591 10.321 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -3.176 0.476 9.563 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -1.491 0.452 8.990 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -1.839 0.650 10.724 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -3.636 3.332 12.585 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -2.818 1.798 12.205 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -1.907 3.326 12.162 1.00 0.00 H new ATOM 487 N GLY A 31 0.051 2.684 7.515 1.00 0.00 N ATOM 488 CA GLY A 31 0.914 2.098 6.515 1.00 0.00 C ATOM 489 C GLY A 31 1.195 3.054 5.378 1.00 0.00 C ATOM 490 O GLY A 31 0.721 4.188 5.389 1.00 0.00 O ATOM 0 H GLY A 31 -0.631 3.351 7.155 1.00 0.00 H new ATOM 0 HA2 GLY A 31 1.854 1.799 6.978 1.00 0.00 H new ATOM 0 HA3 GLY A 31 0.451 1.193 6.122 1.00 0.00 H new ATOM 494 N PRO A 32 1.970 2.625 4.378 1.00 0.00 N ATOM 495 CA PRO A 32 2.295 3.450 3.220 1.00 0.00 C ATOM 496 C PRO A 32 1.148 3.494 2.219 1.00 0.00 C ATOM 497 O PRO A 32 0.873 2.505 1.527 1.00 0.00 O ATOM 498 CB PRO A 32 3.515 2.752 2.600 1.00 0.00 C ATOM 499 CG PRO A 32 3.844 1.604 3.503 1.00 0.00 C ATOM 500 CD PRO A 32 2.599 1.309 4.288 1.00 0.00 C ATOM 0 HA PRO A 32 2.485 4.486 3.499 1.00 0.00 H new ATOM 0 HB2 PRO A 32 3.293 2.403 1.592 1.00 0.00 H new ATOM 0 HB3 PRO A 32 4.358 3.439 2.521 1.00 0.00 H new ATOM 0 HG2 PRO A 32 4.154 0.733 2.926 1.00 0.00 H new ATOM 0 HG3 PRO A 32 4.670 1.857 4.167 1.00 0.00 H new ATOM 0 HD2 PRO A 32 1.960 0.586 3.781 1.00 0.00 H new ATOM 0 HD3 PRO A 32 2.826 0.898 5.272 1.00 0.00 H new ATOM 508 N CYS A 33 0.478 4.635 2.153 1.00 0.00 N ATOM 509 CA CYS A 33 -0.621 4.828 1.224 1.00 0.00 C ATOM 510 C CYS A 33 -0.098 4.980 -0.199 1.00 0.00 C ATOM 511 O CYS A 33 0.706 5.864 -0.494 1.00 0.00 O ATOM 512 CB CYS A 33 -1.445 6.054 1.624 1.00 0.00 C ATOM 513 SG CYS A 33 -0.462 7.547 1.901 1.00 0.00 S ATOM 0 H CYS A 33 0.680 5.446 2.738 1.00 0.00 H new ATOM 0 HA CYS A 33 -1.264 3.949 1.261 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -2.179 6.255 0.844 1.00 0.00 H new ATOM 0 HB3 CYS A 33 -2.001 5.824 2.533 1.00 0.00 H new ATOM 0 HG CYS A 33 0.489 7.610 1.017 1.00 0.00 H new ATOM 519 N LYS A 34 -0.549 4.091 -1.067 1.00 0.00 N ATOM 520 CA LYS A 34 -0.151 4.099 -2.463 1.00 0.00 C ATOM 521 C LYS A 34 -1.015 5.064 -3.264 1.00 0.00 C ATOM 522 O LYS A 34 -0.517 6.002 -3.884 1.00 0.00 O ATOM 523 CB LYS A 34 -0.281 2.689 -3.048 1.00 0.00 C ATOM 524 CG LYS A 34 -0.119 2.637 -4.558 1.00 0.00 C ATOM 525 CD LYS A 34 -0.683 1.349 -5.134 1.00 0.00 C ATOM 526 CE LYS A 34 -0.704 1.386 -6.652 1.00 0.00 C ATOM 527 NZ LYS A 34 -1.395 0.203 -7.224 1.00 0.00 N ATOM 0 H LYS A 34 -1.200 3.345 -0.824 1.00 0.00 H new ATOM 0 HA LYS A 34 0.887 4.426 -2.523 1.00 0.00 H new ATOM 0 HB2 LYS A 34 0.468 2.044 -2.589 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -1.257 2.283 -2.782 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -0.625 3.491 -5.009 1.00 0.00 H new ATOM 0 HG3 LYS A 34 0.937 2.720 -4.815 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -0.083 0.504 -4.797 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -1.694 1.192 -4.758 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -1.204 2.295 -6.986 1.00 0.00 H new ATOM 0 HE3 LYS A 34 0.318 1.427 -7.029 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -1.690 0.411 -8.199 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -0.748 -0.611 -7.224 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -2.233 -0.021 -6.650 1.00 0.00 H new ATOM 541 N ASN A 35 -2.318 4.835 -3.220 1.00 0.00 N ATOM 542 CA ASN A 35 -3.252 5.553 -4.070 1.00 0.00 C ATOM 543 C ASN A 35 -4.623 5.598 -3.408 1.00 0.00 C ATOM 544 O ASN A 35 -4.918 4.786 -2.527 1.00 0.00 O ATOM 545 CB ASN A 35 -3.350 4.853 -5.430 1.00 0.00 C ATOM 546 CG ASN A 35 -4.236 5.580 -6.423 1.00 0.00 C ATOM 547 OD1 ASN A 35 -4.289 6.809 -6.449 1.00 0.00 O ATOM 548 ND2 ASN A 35 -4.952 4.819 -7.236 1.00 0.00 N ATOM 0 H ASN A 35 -2.754 4.153 -2.600 1.00 0.00 H new ATOM 0 HA ASN A 35 -2.897 6.573 -4.217 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -2.350 4.755 -5.852 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -3.735 3.844 -5.283 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -5.578 5.249 -7.917 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -4.878 3.803 -7.181 1.00 0.00 H new ATOM 555 N CYS A 36 -5.444 6.543 -3.828 1.00 0.00 N ATOM 556 CA CYS A 36 -6.794 6.666 -3.314 1.00 0.00 C ATOM 557 C CYS A 36 -7.793 6.692 -4.460 1.00 0.00 C ATOM 558 O CYS A 36 -7.884 7.672 -5.199 1.00 0.00 O ATOM 559 CB CYS A 36 -6.924 7.933 -2.470 1.00 0.00 C ATOM 560 SG CYS A 36 -6.314 9.427 -3.290 1.00 0.00 S ATOM 0 H CYS A 36 -5.196 7.241 -4.529 1.00 0.00 H new ATOM 0 HA CYS A 36 -7.008 5.803 -2.684 1.00 0.00 H new ATOM 0 HB2 CYS A 36 -7.972 8.077 -2.207 1.00 0.00 H new ATOM 0 HB3 CYS A 36 -6.378 7.794 -1.537 1.00 0.00 H new ATOM 0 HG CYS A 36 -7.312 10.218 -3.549 1.00 0.00 H new ATOM 566 N LYS A 37 -8.524 5.606 -4.625 1.00 0.00 N ATOM 567 CA LYS A 37 -9.551 5.543 -5.649 1.00 0.00 C ATOM 568 C LYS A 37 -10.865 6.047 -5.081 1.00 0.00 C ATOM 569 O LYS A 37 -11.536 5.348 -4.329 1.00 0.00 O ATOM 570 CB LYS A 37 -9.714 4.109 -6.144 1.00 0.00 C ATOM 571 CG LYS A 37 -8.468 3.538 -6.800 1.00 0.00 C ATOM 572 CD LYS A 37 -8.371 3.925 -8.267 1.00 0.00 C ATOM 573 CE LYS A 37 -9.480 3.277 -9.083 1.00 0.00 C ATOM 574 NZ LYS A 37 -9.387 3.610 -10.527 1.00 0.00 N ATOM 0 H LYS A 37 -8.427 4.758 -4.066 1.00 0.00 H new ATOM 0 HA LYS A 37 -9.256 6.171 -6.490 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -9.993 3.474 -5.303 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -10.537 4.073 -6.857 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -7.584 3.894 -6.271 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -8.476 2.452 -6.711 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -8.431 5.009 -8.364 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -7.401 3.622 -8.662 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -9.435 2.195 -8.959 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -10.447 3.602 -8.699 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -10.163 3.146 -11.041 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -9.457 4.640 -10.651 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -8.476 3.277 -10.902 1.00 0.00 H new ATOM 588 N MET A 38 -11.240 7.250 -5.458 1.00 0.00 N ATOM 589 CA MET A 38 -12.437 7.868 -4.910 1.00 0.00 C ATOM 590 C MET A 38 -13.593 7.737 -5.886 1.00 0.00 C ATOM 591 O MET A 38 -13.619 8.395 -6.926 1.00 0.00 O ATOM 592 CB MET A 38 -12.182 9.338 -4.577 1.00 0.00 C ATOM 593 CG MET A 38 -13.383 10.039 -3.961 1.00 0.00 C ATOM 594 SD MET A 38 -13.002 11.705 -3.383 1.00 0.00 S ATOM 595 CE MET A 38 -11.760 11.353 -2.140 1.00 0.00 C ATOM 0 H MET A 38 -10.739 7.821 -6.139 1.00 0.00 H new ATOM 0 HA MET A 38 -12.700 7.350 -3.988 1.00 0.00 H new ATOM 0 HB2 MET A 38 -11.340 9.405 -3.888 1.00 0.00 H new ATOM 0 HB3 MET A 38 -11.892 9.863 -5.487 1.00 0.00 H new ATOM 0 HG2 MET A 38 -14.185 10.090 -4.697 1.00 0.00 H new ATOM 0 HG3 MET A 38 -13.755 9.446 -3.125 1.00 0.00 H new ATOM 0 HE1 MET A 38 -11.937 11.975 -1.263 1.00 0.00 H new ATOM 0 HE2 MET A 38 -11.816 10.302 -1.857 1.00 0.00 H new ATOM 0 HE3 MET A 38 -10.770 11.568 -2.543 1.00 0.00 H new ATOM 605 N ILE A 39 -14.540 6.880 -5.548 1.00 0.00 N ATOM 606 CA ILE A 39 -15.671 6.615 -6.418 1.00 0.00 C ATOM 607 C ILE A 39 -16.928 7.278 -5.867 1.00 0.00 C ATOM 608 O ILE A 39 -17.547 6.774 -4.928 1.00 0.00 O ATOM 609 CB ILE A 39 -15.936 5.100 -6.569 1.00 0.00 C ATOM 610 CG1 ILE A 39 -14.624 4.324 -6.763 1.00 0.00 C ATOM 611 CG2 ILE A 39 -16.882 4.848 -7.734 1.00 0.00 C ATOM 612 CD1 ILE A 39 -13.829 4.741 -7.982 1.00 0.00 C ATOM 0 H ILE A 39 -14.548 6.354 -4.674 1.00 0.00 H new ATOM 0 HA ILE A 39 -15.425 7.026 -7.397 1.00 0.00 H new ATOM 0 HB ILE A 39 -16.403 4.742 -5.651 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -14.003 4.455 -5.877 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -14.852 3.261 -6.838 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -17.062 3.777 -7.832 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -17.827 5.360 -7.553 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -16.435 5.226 -8.654 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -12.919 4.145 -8.044 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -14.428 4.583 -8.879 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -13.567 5.796 -7.902 1.00 0.00 H new ATOM 710 N PRO A 47 -20.897 7.299 -1.462 1.00 0.00 N ATOM 711 CA PRO A 47 -19.580 7.321 -2.090 1.00 0.00 C ATOM 712 C PRO A 47 -18.569 6.500 -1.304 1.00 0.00 C ATOM 713 O PRO A 47 -18.554 6.531 -0.070 1.00 0.00 O ATOM 714 CB PRO A 47 -19.183 8.806 -2.085 1.00 0.00 C ATOM 715 CG PRO A 47 -20.401 9.548 -1.640 1.00 0.00 C ATOM 716 CD PRO A 47 -21.203 8.579 -0.821 1.00 0.00 C ATOM 0 HA PRO A 47 -19.601 6.888 -3.090 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -18.347 8.985 -1.410 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -18.867 9.130 -3.077 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -20.130 10.425 -1.052 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -20.975 9.904 -2.496 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -20.906 8.590 0.228 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -22.269 8.805 -0.853 1.00 0.00 H new ATOM 724 N TYR A 48 -17.720 5.786 -2.023 1.00 0.00 N ATOM 725 CA TYR A 48 -16.739 4.914 -1.405 1.00 0.00 C ATOM 726 C TYR A 48 -15.360 5.146 -2.002 1.00 0.00 C ATOM 727 O TYR A 48 -15.223 5.553 -3.157 1.00 0.00 O ATOM 728 CB TYR A 48 -17.154 3.443 -1.553 1.00 0.00 C ATOM 729 CG TYR A 48 -17.580 3.054 -2.954 1.00 0.00 C ATOM 730 CD1 TYR A 48 -18.886 3.256 -3.384 1.00 0.00 C ATOM 731 CD2 TYR A 48 -16.682 2.471 -3.841 1.00 0.00 C ATOM 732 CE1 TYR A 48 -19.285 2.889 -4.653 1.00 0.00 C ATOM 733 CE2 TYR A 48 -17.073 2.105 -5.114 1.00 0.00 C ATOM 734 CZ TYR A 48 -18.376 2.316 -5.514 1.00 0.00 C ATOM 735 OH TYR A 48 -18.774 1.942 -6.778 1.00 0.00 O ATOM 0 H TYR A 48 -17.692 5.794 -3.043 1.00 0.00 H new ATOM 0 HA TYR A 48 -16.693 5.151 -0.342 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -16.320 2.810 -1.250 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -17.975 3.238 -0.866 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -19.601 3.708 -2.713 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -15.662 2.302 -3.529 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -20.305 3.050 -4.969 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -16.363 1.656 -5.792 1.00 0.00 H new ATOM 0 HH TYR A 48 -18.013 1.555 -7.259 1.00 0.00 H new ATOM 745 N CYS A 49 -14.343 4.895 -1.203 1.00 0.00 N ATOM 746 CA CYS A 49 -12.976 5.114 -1.616 1.00 0.00 C ATOM 747 C CYS A 49 -12.139 3.859 -1.396 1.00 0.00 C ATOM 748 O CYS A 49 -12.244 3.196 -0.363 1.00 0.00 O ATOM 749 CB CYS A 49 -12.381 6.296 -0.843 1.00 0.00 C ATOM 750 SG CYS A 49 -10.666 6.687 -1.269 1.00 0.00 S ATOM 0 H CYS A 49 -14.442 4.535 -0.254 1.00 0.00 H new ATOM 0 HA CYS A 49 -12.966 5.346 -2.681 1.00 0.00 H new ATOM 0 HB2 CYS A 49 -12.996 7.178 -1.023 1.00 0.00 H new ATOM 0 HB3 CYS A 49 -12.437 6.081 0.224 1.00 0.00 H new ATOM 0 HG CYS A 49 -10.263 7.700 -0.561 1.00 0.00 H new ATOM 756 N PHE A 50 -11.326 3.535 -2.387 1.00 0.00 N ATOM 757 CA PHE A 50 -10.401 2.420 -2.290 1.00 0.00 C ATOM 758 C PHE A 50 -9.040 2.921 -1.841 1.00 0.00 C ATOM 759 O PHE A 50 -8.450 3.792 -2.482 1.00 0.00 O ATOM 760 CB PHE A 50 -10.259 1.715 -3.639 1.00 0.00 C ATOM 761 CG PHE A 50 -11.501 1.007 -4.087 1.00 0.00 C ATOM 762 CD1 PHE A 50 -12.383 1.611 -4.969 1.00 0.00 C ATOM 763 CD2 PHE A 50 -11.783 -0.264 -3.628 1.00 0.00 C ATOM 764 CE1 PHE A 50 -13.523 0.953 -5.384 1.00 0.00 C ATOM 765 CE2 PHE A 50 -12.919 -0.926 -4.038 1.00 0.00 C ATOM 766 CZ PHE A 50 -13.793 -0.317 -4.917 1.00 0.00 C ATOM 0 H PHE A 50 -11.289 4.034 -3.276 1.00 0.00 H new ATOM 0 HA PHE A 50 -10.794 1.710 -1.562 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -9.979 2.449 -4.394 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -9.444 0.994 -3.577 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -12.176 2.606 -5.335 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -11.105 -0.745 -2.939 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -14.203 1.432 -6.073 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -13.126 -1.921 -3.672 1.00 0.00 H new ATOM 0 HZ PHE A 50 -14.686 -0.833 -5.238 1.00 0.00 H new ATOM 776 N VAL A 51 -8.553 2.392 -0.736 1.00 0.00 N ATOM 777 CA VAL A 51 -7.253 2.781 -0.226 1.00 0.00 C ATOM 778 C VAL A 51 -6.236 1.676 -0.481 1.00 0.00 C ATOM 779 O VAL A 51 -6.341 0.580 0.076 1.00 0.00 O ATOM 780 CB VAL A 51 -7.302 3.103 1.284 1.00 0.00 C ATOM 781 CG1 VAL A 51 -5.971 3.670 1.752 1.00 0.00 C ATOM 782 CG2 VAL A 51 -8.438 4.072 1.592 1.00 0.00 C ATOM 0 H VAL A 51 -9.038 1.692 -0.174 1.00 0.00 H new ATOM 0 HA VAL A 51 -6.952 3.686 -0.754 1.00 0.00 H new ATOM 0 HB VAL A 51 -7.490 2.176 1.826 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -6.024 3.891 2.818 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -5.181 2.941 1.572 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -5.752 4.585 1.202 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -8.455 4.285 2.661 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -8.285 4.999 1.039 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -9.387 3.625 1.296 1.00 0.00 H new ATOM 792 N GLU A 52 -5.270 1.961 -1.341 1.00 0.00 N ATOM 793 CA GLU A 52 -4.246 0.987 -1.687 1.00 0.00 C ATOM 794 C GLU A 52 -3.038 1.125 -0.768 1.00 0.00 C ATOM 795 O GLU A 52 -2.462 2.208 -0.641 1.00 0.00 O ATOM 796 CB GLU A 52 -3.807 1.161 -3.146 1.00 0.00 C ATOM 797 CG GLU A 52 -4.923 0.941 -4.157 1.00 0.00 C ATOM 798 CD GLU A 52 -4.447 1.058 -5.594 1.00 0.00 C ATOM 799 OE1 GLU A 52 -3.912 0.065 -6.134 1.00 0.00 O ATOM 800 OE2 GLU A 52 -4.605 2.138 -6.196 1.00 0.00 O ATOM 0 H GLU A 52 -5.174 2.860 -1.813 1.00 0.00 H new ATOM 0 HA GLU A 52 -4.673 -0.008 -1.561 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -3.405 2.166 -3.277 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -2.997 0.463 -3.357 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -5.358 -0.047 -4.002 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -5.715 1.669 -3.981 1.00 0.00 H new ATOM 807 N PHE A 53 -2.669 0.029 -0.122 1.00 0.00 N ATOM 808 CA PHE A 53 -1.480 -0.010 0.718 1.00 0.00 C ATOM 809 C PHE A 53 -0.399 -0.853 0.063 1.00 0.00 C ATOM 810 O PHE A 53 -0.690 -1.726 -0.754 1.00 0.00 O ATOM 811 CB PHE A 53 -1.794 -0.595 2.099 1.00 0.00 C ATOM 812 CG PHE A 53 -2.459 0.363 3.041 1.00 0.00 C ATOM 813 CD1 PHE A 53 -3.831 0.520 3.042 1.00 0.00 C ATOM 814 CD2 PHE A 53 -1.702 1.104 3.935 1.00 0.00 C ATOM 815 CE1 PHE A 53 -4.440 1.397 3.918 1.00 0.00 C ATOM 816 CE2 PHE A 53 -2.305 1.983 4.810 1.00 0.00 C ATOM 817 CZ PHE A 53 -3.675 2.129 4.802 1.00 0.00 C ATOM 0 H PHE A 53 -3.180 -0.852 -0.164 1.00 0.00 H new ATOM 0 HA PHE A 53 -1.131 1.016 0.838 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -2.436 -1.467 1.973 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -0.866 -0.945 2.551 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -4.434 -0.049 2.350 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -0.628 0.992 3.946 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -5.514 1.510 3.911 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -1.704 2.556 5.501 1.00 0.00 H new ATOM 0 HZ PHE A 53 -4.149 2.816 5.487 1.00 0.00 H new ATOM 827 N HIS A 54 0.849 -0.584 0.427 1.00 0.00 N ATOM 828 CA HIS A 54 1.981 -1.368 -0.064 1.00 0.00 C ATOM 829 C HIS A 54 2.219 -2.581 0.831 1.00 0.00 C ATOM 830 O HIS A 54 3.059 -3.433 0.535 1.00 0.00 O ATOM 831 CB HIS A 54 3.260 -0.522 -0.126 1.00 0.00 C ATOM 832 CG HIS A 54 3.203 0.610 -1.105 1.00 0.00 C ATOM 833 ND1 HIS A 54 3.429 0.454 -2.454 1.00 0.00 N ATOM 834 CD2 HIS A 54 2.958 1.928 -0.919 1.00 0.00 C ATOM 835 CE1 HIS A 54 3.331 1.625 -3.053 1.00 0.00 C ATOM 836 NE2 HIS A 54 3.043 2.536 -2.145 1.00 0.00 N ATOM 0 H HIS A 54 1.105 0.172 1.062 1.00 0.00 H new ATOM 0 HA HIS A 54 1.735 -1.703 -1.072 1.00 0.00 H new ATOM 0 HB2 HIS A 54 3.464 -0.119 0.866 1.00 0.00 H new ATOM 0 HB3 HIS A 54 4.098 -1.169 -0.385 1.00 0.00 H new ATOM 0 HD2 HIS A 54 2.737 2.411 0.021 1.00 0.00 H new ATOM 0 HE1 HIS A 54 3.464 1.807 -4.109 1.00 0.00 H new ATOM 0 HE2 HIS A 54 2.906 3.531 -2.325 1.00 0.00 H new ATOM 845 N GLU A 55 1.491 -2.639 1.939 1.00 0.00 N ATOM 846 CA GLU A 55 1.653 -3.710 2.913 1.00 0.00 C ATOM 847 C GLU A 55 0.303 -4.252 3.360 1.00 0.00 C ATOM 848 O GLU A 55 -0.521 -3.516 3.904 1.00 0.00 O ATOM 849 CB GLU A 55 2.412 -3.204 4.137 1.00 0.00 C ATOM 850 CG GLU A 55 3.832 -2.762 3.845 1.00 0.00 C ATOM 851 CD GLU A 55 4.514 -2.224 5.074 1.00 0.00 C ATOM 852 OE1 GLU A 55 5.155 -3.012 5.793 1.00 0.00 O ATOM 853 OE2 GLU A 55 4.383 -1.014 5.338 1.00 0.00 O ATOM 0 H GLU A 55 0.779 -1.952 2.186 1.00 0.00 H new ATOM 0 HA GLU A 55 2.217 -4.510 2.433 1.00 0.00 H new ATOM 0 HB2 GLU A 55 1.864 -2.367 4.571 1.00 0.00 H new ATOM 0 HB3 GLU A 55 2.436 -3.993 4.888 1.00 0.00 H new ATOM 0 HG2 GLU A 55 4.402 -3.605 3.453 1.00 0.00 H new ATOM 0 HG3 GLU A 55 3.822 -1.996 3.070 1.00 0.00 H new ATOM 860 N HIS A 56 0.095 -5.544 3.136 1.00 0.00 N ATOM 861 CA HIS A 56 -1.133 -6.221 3.547 1.00 0.00 C ATOM 862 C HIS A 56 -1.269 -6.199 5.070 1.00 0.00 C ATOM 863 O HIS A 56 -2.369 -6.084 5.601 1.00 0.00 O ATOM 864 CB HIS A 56 -1.116 -7.671 3.042 1.00 0.00 C ATOM 865 CG HIS A 56 -2.432 -8.391 3.138 1.00 0.00 C ATOM 866 ND1 HIS A 56 -3.005 -9.039 2.064 1.00 0.00 N ATOM 867 CD2 HIS A 56 -3.278 -8.583 4.181 1.00 0.00 C ATOM 868 CE1 HIS A 56 -4.146 -9.588 2.438 1.00 0.00 C ATOM 869 NE2 HIS A 56 -4.333 -9.327 3.715 1.00 0.00 N ATOM 0 H HIS A 56 0.768 -6.151 2.667 1.00 0.00 H new ATOM 0 HA HIS A 56 -1.987 -5.699 3.115 1.00 0.00 H new ATOM 0 HB2 HIS A 56 -0.792 -7.674 2.001 1.00 0.00 H new ATOM 0 HB3 HIS A 56 -0.371 -8.229 3.609 1.00 0.00 H new ATOM 0 HD2 HIS A 56 -3.146 -8.219 5.189 1.00 0.00 H new ATOM 0 HE1 HIS A 56 -4.812 -10.155 1.805 1.00 0.00 H new ATOM 0 HE2 HIS A 56 -5.134 -9.629 4.269 1.00 0.00 H new ATOM 878 N ARG A 57 -0.140 -6.301 5.761 1.00 0.00 N ATOM 879 CA ARG A 57 -0.122 -6.316 7.222 1.00 0.00 C ATOM 880 C ARG A 57 -0.614 -4.988 7.791 1.00 0.00 C ATOM 881 O ARG A 57 -1.393 -4.957 8.742 1.00 0.00 O ATOM 882 CB ARG A 57 1.289 -6.605 7.725 1.00 0.00 C ATOM 883 CG ARG A 57 1.394 -6.749 9.234 1.00 0.00 C ATOM 884 CD ARG A 57 2.845 -6.787 9.686 1.00 0.00 C ATOM 885 NE ARG A 57 3.610 -7.820 8.995 1.00 0.00 N ATOM 886 CZ ARG A 57 4.895 -7.702 8.666 1.00 0.00 C ATOM 887 NH1 ARG A 57 5.587 -6.627 9.026 1.00 0.00 N ATOM 888 NH2 ARG A 57 5.497 -8.675 7.997 1.00 0.00 N ATOM 0 H ARG A 57 0.782 -6.375 5.331 1.00 0.00 H new ATOM 0 HA ARG A 57 -0.795 -7.104 7.561 1.00 0.00 H new ATOM 0 HB2 ARG A 57 1.649 -7.522 7.258 1.00 0.00 H new ATOM 0 HB3 ARG A 57 1.950 -5.801 7.401 1.00 0.00 H new ATOM 0 HG2 ARG A 57 0.882 -5.917 9.717 1.00 0.00 H new ATOM 0 HG3 ARG A 57 0.888 -7.661 9.550 1.00 0.00 H new ATOM 0 HD2 ARG A 57 3.305 -5.815 9.507 1.00 0.00 H new ATOM 0 HD3 ARG A 57 2.885 -6.965 10.761 1.00 0.00 H new ATOM 0 HE ARG A 57 3.131 -8.686 8.749 1.00 0.00 H new ATOM 0 HH11 ARG A 57 5.135 -5.884 9.559 1.00 0.00 H new ATOM 0 HH12 ARG A 57 6.571 -6.544 8.770 1.00 0.00 H new ATOM 0 HH21 ARG A 57 4.976 -9.512 7.735 1.00 0.00 H new ATOM 0 HH22 ARG A 57 6.481 -8.587 7.744 1.00 0.00 H new ATOM 902 N HIS A 58 -0.173 -3.889 7.192 1.00 0.00 N ATOM 903 CA HIS A 58 -0.574 -2.570 7.661 1.00 0.00 C ATOM 904 C HIS A 58 -1.972 -2.246 7.165 1.00 0.00 C ATOM 905 O HIS A 58 -2.694 -1.466 7.777 1.00 0.00 O ATOM 906 CB HIS A 58 0.424 -1.493 7.227 1.00 0.00 C ATOM 907 CG HIS A 58 1.672 -1.471 8.061 1.00 0.00 C ATOM 908 ND1 HIS A 58 2.936 -1.360 7.530 1.00 0.00 N ATOM 909 CD2 HIS A 58 1.840 -1.545 9.402 1.00 0.00 C ATOM 910 CE1 HIS A 58 3.824 -1.367 8.501 1.00 0.00 C ATOM 911 NE2 HIS A 58 3.188 -1.474 9.652 1.00 0.00 N ATOM 0 H HIS A 58 0.456 -3.884 6.389 1.00 0.00 H new ATOM 0 HA HIS A 58 -0.582 -2.583 8.751 1.00 0.00 H new ATOM 0 HB2 HIS A 58 0.695 -1.657 6.184 1.00 0.00 H new ATOM 0 HB3 HIS A 58 -0.058 -0.517 7.281 1.00 0.00 H new ATOM 0 HD1 HIS A 58 3.152 -1.284 6.536 1.00 0.00 H new ATOM 0 HD2 HIS A 58 1.057 -1.642 10.140 1.00 0.00 H new ATOM 0 HE1 HIS A 58 4.895 -1.297 8.377 1.00 0.00 H new ATOM 920 N ALA A 59 -2.351 -2.867 6.058 1.00 0.00 N ATOM 921 CA ALA A 59 -3.717 -2.796 5.571 1.00 0.00 C ATOM 922 C ALA A 59 -4.657 -3.455 6.581 1.00 0.00 C ATOM 923 O ALA A 59 -5.754 -2.966 6.845 1.00 0.00 O ATOM 924 CB ALA A 59 -3.815 -3.475 4.212 1.00 0.00 C ATOM 0 H ALA A 59 -1.727 -3.428 5.479 1.00 0.00 H new ATOM 0 HA ALA A 59 -4.012 -1.753 5.455 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -4.842 -3.419 3.851 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -3.154 -2.973 3.506 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -3.519 -4.520 4.305 1.00 0.00 H new ATOM 930 N ALA A 60 -4.187 -4.558 7.161 1.00 0.00 N ATOM 931 CA ALA A 60 -4.926 -5.279 8.190 1.00 0.00 C ATOM 932 C ALA A 60 -5.057 -4.442 9.453 1.00 0.00 C ATOM 933 O ALA A 60 -6.115 -4.413 10.086 1.00 0.00 O ATOM 934 CB ALA A 60 -4.225 -6.585 8.510 1.00 0.00 C ATOM 0 H ALA A 60 -3.285 -4.974 6.930 1.00 0.00 H new ATOM 0 HA ALA A 60 -5.926 -5.487 7.810 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -4.783 -7.118 9.280 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -4.170 -7.198 7.611 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -3.217 -6.378 8.870 1.00 0.00 H new ATOM 940 N ALA A 61 -3.972 -3.770 9.822 1.00 0.00 N ATOM 941 CA ALA A 61 -3.979 -2.895 10.986 1.00 0.00 C ATOM 942 C ALA A 61 -4.971 -1.757 10.786 1.00 0.00 C ATOM 943 O ALA A 61 -5.707 -1.396 11.700 1.00 0.00 O ATOM 944 CB ALA A 61 -2.582 -2.351 11.256 1.00 0.00 C ATOM 0 H ALA A 61 -3.078 -3.815 9.332 1.00 0.00 H new ATOM 0 HA ALA A 61 -4.291 -3.475 11.854 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -2.608 -1.699 12.129 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -1.898 -3.180 11.441 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -2.239 -1.784 10.391 1.00 0.00 H new ATOM 950 N ALA A 62 -4.998 -1.213 9.574 1.00 0.00 N ATOM 951 CA ALA A 62 -5.945 -0.162 9.227 1.00 0.00 C ATOM 952 C ALA A 62 -7.374 -0.694 9.271 1.00 0.00 C ATOM 953 O ALA A 62 -8.284 -0.020 9.749 1.00 0.00 O ATOM 954 CB ALA A 62 -5.629 0.400 7.849 1.00 0.00 C ATOM 0 H ALA A 62 -4.373 -1.484 8.815 1.00 0.00 H new ATOM 0 HA ALA A 62 -5.855 0.641 9.959 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -6.345 1.184 7.603 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -4.621 0.815 7.848 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -5.694 -0.396 7.108 1.00 0.00 H new ATOM 960 N LEU A 63 -7.550 -1.914 8.773 1.00 0.00 N ATOM 961 CA LEU A 63 -8.841 -2.593 8.790 1.00 0.00 C ATOM 962 C LEU A 63 -9.396 -2.628 10.212 1.00 0.00 C ATOM 963 O LEU A 63 -10.531 -2.225 10.457 1.00 0.00 O ATOM 964 CB LEU A 63 -8.670 -4.021 8.238 1.00 0.00 C ATOM 965 CG LEU A 63 -9.943 -4.740 7.754 1.00 0.00 C ATOM 966 CD1 LEU A 63 -10.885 -5.068 8.903 1.00 0.00 C ATOM 967 CD2 LEU A 63 -10.655 -3.911 6.702 1.00 0.00 C ATOM 0 H LEU A 63 -6.801 -2.460 8.346 1.00 0.00 H new ATOM 0 HA LEU A 63 -9.548 -2.051 8.162 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -7.967 -3.981 7.406 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -8.210 -4.632 9.015 1.00 0.00 H new ATOM 0 HG LEU A 63 -9.633 -5.685 7.309 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -11.769 -5.574 8.515 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -10.377 -5.718 9.615 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -11.184 -4.147 9.402 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -11.552 -4.435 6.372 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -10.933 -2.946 7.126 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -9.992 -3.755 5.851 1.00 0.00 H new ATOM 979 N ALA A 64 -8.577 -3.085 11.148 1.00 0.00 N ATOM 980 CA ALA A 64 -9.007 -3.248 12.532 1.00 0.00 C ATOM 981 C ALA A 64 -9.147 -1.909 13.255 1.00 0.00 C ATOM 982 O ALA A 64 -10.140 -1.667 13.942 1.00 0.00 O ATOM 983 CB ALA A 64 -8.026 -4.140 13.273 1.00 0.00 C ATOM 0 H ALA A 64 -7.608 -3.351 10.975 1.00 0.00 H new ATOM 0 HA ALA A 64 -9.993 -3.713 12.518 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -8.351 -4.259 14.306 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -7.986 -5.117 12.791 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -7.035 -3.686 13.254 1.00 0.00 H new ATOM 989 N ALA A 65 -8.158 -1.040 13.092 1.00 0.00 N ATOM 990 CA ALA A 65 -8.093 0.194 13.869 1.00 0.00 C ATOM 991 C ALA A 65 -9.073 1.257 13.377 1.00 0.00 C ATOM 992 O ALA A 65 -9.534 2.089 14.162 1.00 0.00 O ATOM 993 CB ALA A 65 -6.677 0.745 13.859 1.00 0.00 C ATOM 0 H ALA A 65 -7.391 -1.165 12.431 1.00 0.00 H new ATOM 0 HA ALA A 65 -8.384 -0.059 14.889 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -6.641 1.665 14.442 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -5.998 0.012 14.295 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -6.375 0.953 12.833 1.00 0.00 H new ATOM 999 N MET A 66 -9.392 1.239 12.092 1.00 0.00 N ATOM 1000 CA MET A 66 -10.230 2.282 11.515 1.00 0.00 C ATOM 1001 C MET A 66 -11.694 1.860 11.434 1.00 0.00 C ATOM 1002 O MET A 66 -12.588 2.696 11.572 1.00 0.00 O ATOM 1003 CB MET A 66 -9.717 2.684 10.130 1.00 0.00 C ATOM 1004 CG MET A 66 -8.345 3.346 10.163 1.00 0.00 C ATOM 1005 SD MET A 66 -8.339 4.895 11.090 1.00 0.00 S ATOM 1006 CE MET A 66 -9.443 5.894 10.093 1.00 0.00 C ATOM 0 H MET A 66 -9.088 0.522 11.433 1.00 0.00 H new ATOM 0 HA MET A 66 -10.172 3.144 12.179 1.00 0.00 H new ATOM 0 HB2 MET A 66 -9.670 1.798 9.497 1.00 0.00 H new ATOM 0 HB3 MET A 66 -10.431 3.367 9.670 1.00 0.00 H new ATOM 0 HG2 MET A 66 -7.625 2.659 10.608 1.00 0.00 H new ATOM 0 HG3 MET A 66 -8.014 3.537 9.142 1.00 0.00 H new ATOM 0 HE1 MET A 66 -9.364 6.938 10.397 1.00 0.00 H new ATOM 0 HE2 MET A 66 -9.169 5.801 9.042 1.00 0.00 H new ATOM 0 HE3 MET A 66 -10.469 5.552 10.232 1.00 0.00 H new ATOM 1016 N ASN A 67 -11.952 0.575 11.217 1.00 0.00 N ATOM 1017 CA ASN A 67 -13.330 0.095 11.124 1.00 0.00 C ATOM 1018 C ASN A 67 -13.976 0.093 12.505 1.00 0.00 C ATOM 1019 O ASN A 67 -13.600 -0.690 13.378 1.00 0.00 O ATOM 1020 CB ASN A 67 -13.391 -1.313 10.521 1.00 0.00 C ATOM 1021 CG ASN A 67 -14.807 -1.745 10.179 1.00 0.00 C ATOM 1022 OD1 ASN A 67 -15.629 -0.940 9.734 1.00 0.00 O ATOM 1023 ND2 ASN A 67 -15.102 -3.016 10.396 1.00 0.00 N ATOM 0 H ASN A 67 -11.239 -0.145 11.103 1.00 0.00 H new ATOM 0 HA ASN A 67 -13.877 0.771 10.466 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -12.779 -1.344 9.620 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -12.959 -2.024 11.225 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -16.039 -3.364 10.194 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -14.392 -3.648 10.765 1.00 0.00 H new ATOM 1030 N GLY A 68 -14.940 0.980 12.696 1.00 0.00 N ATOM 1031 CA GLY A 68 -15.577 1.119 13.990 1.00 0.00 C ATOM 1032 C GLY A 68 -15.231 2.439 14.646 1.00 0.00 C ATOM 1033 O GLY A 68 -15.797 2.804 15.677 1.00 0.00 O ATOM 0 H GLY A 68 -15.294 1.609 11.975 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -16.658 1.043 13.873 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -15.268 0.299 14.638 1.00 0.00 H new ATOM 1037 N ARG A 69 -14.292 3.154 14.045 1.00 0.00 N ATOM 1038 CA ARG A 69 -13.878 4.454 14.544 1.00 0.00 C ATOM 1039 C ARG A 69 -14.814 5.534 14.020 1.00 0.00 C ATOM 1040 O ARG A 69 -14.998 5.674 12.815 1.00 0.00 O ATOM 1041 CB ARG A 69 -12.440 4.746 14.121 1.00 0.00 C ATOM 1042 CG ARG A 69 -11.937 6.115 14.544 1.00 0.00 C ATOM 1043 CD ARG A 69 -10.500 6.318 14.111 1.00 0.00 C ATOM 1044 NE ARG A 69 -9.991 7.644 14.457 1.00 0.00 N ATOM 1045 CZ ARG A 69 -8.735 8.031 14.235 1.00 0.00 C ATOM 1046 NH1 ARG A 69 -7.868 7.179 13.701 1.00 0.00 N ATOM 1047 NH2 ARG A 69 -8.348 9.264 14.543 1.00 0.00 N ATOM 0 H ARG A 69 -13.800 2.852 13.204 1.00 0.00 H new ATOM 0 HA ARG A 69 -13.925 4.447 15.633 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -11.786 3.983 14.544 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -12.367 4.663 13.037 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -12.566 6.890 14.106 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -12.013 6.217 15.627 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -9.873 5.559 14.578 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -10.425 6.174 13.033 1.00 0.00 H new ATOM 0 HE ARG A 69 -10.631 8.309 14.892 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -8.164 6.233 13.462 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -6.906 7.471 13.529 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -9.013 9.920 14.952 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -7.385 9.554 14.371 1.00 0.00 H new ATOM 1061 N LYS A 70 -15.401 6.292 14.925 1.00 0.00 N ATOM 1062 CA LYS A 70 -16.378 7.299 14.545 1.00 0.00 C ATOM 1063 C LYS A 70 -15.681 8.585 14.113 1.00 0.00 C ATOM 1064 O LYS A 70 -14.926 9.183 14.882 1.00 0.00 O ATOM 1065 CB LYS A 70 -17.332 7.575 15.706 1.00 0.00 C ATOM 1066 CG LYS A 70 -18.567 8.359 15.303 1.00 0.00 C ATOM 1067 CD LYS A 70 -19.523 8.526 16.469 1.00 0.00 C ATOM 1068 CE LYS A 70 -20.858 9.081 16.010 1.00 0.00 C ATOM 1069 NZ LYS A 70 -21.818 9.239 17.135 1.00 0.00 N ATOM 0 H LYS A 70 -15.221 6.232 15.927 1.00 0.00 H new ATOM 0 HA LYS A 70 -16.955 6.921 13.701 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -17.641 6.626 16.145 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -16.799 8.126 16.481 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -18.271 9.340 14.930 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -19.074 7.847 14.486 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -19.675 7.564 16.958 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -19.084 9.194 17.210 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -20.702 10.047 15.529 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -21.287 8.417 15.259 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -22.716 9.621 16.774 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -21.989 8.314 17.578 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -21.422 9.893 17.840 1.00 0.00 H new ATOM 1083 N ILE A 71 -15.934 9.003 12.880 1.00 0.00 N ATOM 1084 CA ILE A 71 -15.273 10.169 12.313 1.00 0.00 C ATOM 1085 C ILE A 71 -16.300 11.130 11.720 1.00 0.00 C ATOM 1086 O ILE A 71 -17.227 10.698 11.031 1.00 0.00 O ATOM 1087 CB ILE A 71 -14.259 9.761 11.217 1.00 0.00 C ATOM 1088 CG1 ILE A 71 -13.244 8.758 11.776 1.00 0.00 C ATOM 1089 CG2 ILE A 71 -13.544 10.989 10.663 1.00 0.00 C ATOM 1090 CD1 ILE A 71 -12.286 8.219 10.738 1.00 0.00 C ATOM 0 H ILE A 71 -16.596 8.549 12.251 1.00 0.00 H new ATOM 0 HA ILE A 71 -14.734 10.666 13.120 1.00 0.00 H new ATOM 0 HB ILE A 71 -14.805 9.285 10.402 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -12.672 9.238 12.570 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -13.782 7.925 12.229 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -12.835 10.681 9.894 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -14.275 11.672 10.230 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -13.009 11.493 11.468 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -11.598 7.516 11.208 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -12.847 7.709 9.955 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -11.721 9.043 10.302 1.00 0.00 H new ATOM 1102 N MET A 72 -16.127 12.423 12.010 1.00 0.00 N ATOM 1103 CA MET A 72 -16.999 13.491 11.505 1.00 0.00 C ATOM 1104 C MET A 72 -18.388 13.436 12.135 1.00 0.00 C ATOM 1105 O MET A 72 -18.730 14.266 12.977 1.00 0.00 O ATOM 1106 CB MET A 72 -17.110 13.463 9.969 1.00 0.00 C ATOM 1107 CG MET A 72 -15.804 13.772 9.256 1.00 0.00 C ATOM 1108 SD MET A 72 -15.106 15.361 9.741 1.00 0.00 S ATOM 1109 CE MET A 72 -13.726 15.477 8.604 1.00 0.00 C ATOM 0 H MET A 72 -15.372 12.762 12.606 1.00 0.00 H new ATOM 0 HA MET A 72 -16.531 14.432 11.795 1.00 0.00 H new ATOM 0 HB2 MET A 72 -17.460 12.479 9.657 1.00 0.00 H new ATOM 0 HB3 MET A 72 -17.865 14.184 9.655 1.00 0.00 H new ATOM 0 HG2 MET A 72 -15.083 12.983 9.469 1.00 0.00 H new ATOM 0 HG3 MET A 72 -15.973 13.767 8.179 1.00 0.00 H new ATOM 0 HE1 MET A 72 -12.795 15.545 9.167 1.00 0.00 H new ATOM 0 HE2 MET A 72 -13.702 14.591 7.969 1.00 0.00 H new ATOM 0 HE3 MET A 72 -13.840 16.366 7.983 1.00 0.00 H new ATOM 1119 N GLY A 73 -19.170 12.450 11.737 1.00 0.00 N ATOM 1120 CA GLY A 73 -20.522 12.308 12.233 1.00 0.00 C ATOM 1121 C GLY A 73 -21.278 11.281 11.431 1.00 0.00 C ATOM 1122 O GLY A 73 -22.430 11.490 11.049 1.00 0.00 O ATOM 0 H GLY A 73 -18.888 11.733 11.068 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -20.501 12.014 13.282 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -21.036 13.268 12.181 1.00 0.00 H new ATOM 1126 N LYS A 74 -20.616 10.167 11.175 1.00 0.00 N ATOM 1127 CA LYS A 74 -21.141 9.137 10.297 1.00 0.00 C ATOM 1128 C LYS A 74 -20.574 7.791 10.708 1.00 0.00 C ATOM 1129 O LYS A 74 -19.604 7.726 11.472 1.00 0.00 O ATOM 1130 CB LYS A 74 -20.722 9.433 8.854 1.00 0.00 C ATOM 1131 CG LYS A 74 -19.233 9.222 8.628 1.00 0.00 C ATOM 1132 CD LYS A 74 -18.813 9.544 7.211 1.00 0.00 C ATOM 1133 CE LYS A 74 -17.534 8.811 6.840 1.00 0.00 C ATOM 1134 NZ LYS A 74 -17.756 7.341 6.750 1.00 0.00 N ATOM 0 H LYS A 74 -19.700 9.951 11.569 1.00 0.00 H new ATOM 0 HA LYS A 74 -22.229 9.120 10.369 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -21.284 8.791 8.176 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -20.982 10.462 8.607 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -18.671 9.847 9.322 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -18.977 8.187 8.853 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -19.609 9.266 6.520 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -18.663 10.619 7.108 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -17.163 9.184 5.885 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -16.765 9.019 7.584 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -16.877 6.875 6.446 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -18.037 6.975 7.682 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -18.509 7.145 6.059 1.00 0.00 H new ATOM 1148 N GLU A 75 -21.155 6.721 10.194 1.00 0.00 N ATOM 1149 CA GLU A 75 -20.588 5.405 10.389 1.00 0.00 C ATOM 1150 C GLU A 75 -19.506 5.181 9.344 1.00 0.00 C ATOM 1151 O GLU A 75 -19.659 5.574 8.184 1.00 0.00 O ATOM 1152 CB GLU A 75 -21.650 4.306 10.285 1.00 0.00 C ATOM 1153 CG GLU A 75 -21.109 2.918 10.611 1.00 0.00 C ATOM 1154 CD GLU A 75 -22.116 1.812 10.377 1.00 0.00 C ATOM 1155 OE1 GLU A 75 -22.989 1.596 11.244 1.00 0.00 O ATOM 1156 OE2 GLU A 75 -22.028 1.137 9.328 1.00 0.00 O ATOM 0 H GLU A 75 -22.013 6.740 9.643 1.00 0.00 H new ATOM 0 HA GLU A 75 -20.166 5.354 11.393 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -22.471 4.538 10.963 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -22.061 4.301 9.276 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -20.224 2.729 10.003 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -20.791 2.895 11.653 1.00 0.00 H new ATOM 1163 N VAL A 76 -18.402 4.590 9.750 1.00 0.00 N ATOM 1164 CA VAL A 76 -17.336 4.279 8.822 1.00 0.00 C ATOM 1165 C VAL A 76 -17.427 2.825 8.404 1.00 0.00 C ATOM 1166 O VAL A 76 -17.877 1.975 9.175 1.00 0.00 O ATOM 1167 CB VAL A 76 -15.948 4.548 9.427 1.00 0.00 C ATOM 1168 CG1 VAL A 76 -15.816 6.009 9.823 1.00 0.00 C ATOM 1169 CG2 VAL A 76 -15.703 3.634 10.617 1.00 0.00 C ATOM 0 H VAL A 76 -18.220 4.316 10.715 1.00 0.00 H new ATOM 0 HA VAL A 76 -17.457 4.929 7.956 1.00 0.00 H new ATOM 0 HB VAL A 76 -15.190 4.333 8.674 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -14.828 6.183 10.249 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -15.947 6.638 8.942 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -16.578 6.256 10.562 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -14.717 3.836 11.034 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -16.463 3.815 11.377 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -15.754 2.594 10.294 1.00 0.00 H new ATOM 1179 N LYS A 77 -17.026 2.542 7.186 1.00 0.00 N ATOM 1180 CA LYS A 77 -17.014 1.183 6.703 1.00 0.00 C ATOM 1181 C LYS A 77 -15.671 0.872 6.098 1.00 0.00 C ATOM 1182 O LYS A 77 -15.322 1.395 5.048 1.00 0.00 O ATOM 1183 CB LYS A 77 -18.115 0.956 5.677 1.00 0.00 C ATOM 1184 CG LYS A 77 -19.514 1.160 6.229 1.00 0.00 C ATOM 1185 CD LYS A 77 -20.551 0.730 5.211 1.00 0.00 C ATOM 1186 CE LYS A 77 -21.978 0.934 5.703 1.00 0.00 C ATOM 1187 NZ LYS A 77 -22.284 0.104 6.897 1.00 0.00 N ATOM 0 H LYS A 77 -16.704 3.236 6.512 1.00 0.00 H new ATOM 0 HA LYS A 77 -17.196 0.516 7.546 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -17.963 1.634 4.837 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -18.032 -0.058 5.287 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -19.637 0.586 7.147 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -19.661 2.209 6.487 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -20.405 1.293 4.289 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -20.402 -0.322 4.969 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -22.130 1.986 5.945 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -22.675 0.687 4.902 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -23.146 -0.450 6.723 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -21.490 -0.541 7.084 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -22.430 0.722 7.721 1.00 0.00 H new ATOM 1201 N VAL A 78 -14.917 0.045 6.782 1.00 0.00 N ATOM 1202 CA VAL A 78 -13.607 -0.353 6.315 1.00 0.00 C ATOM 1203 C VAL A 78 -13.588 -1.856 6.110 1.00 0.00 C ATOM 1204 O VAL A 78 -13.471 -2.621 7.064 1.00 0.00 O ATOM 1205 CB VAL A 78 -12.491 0.058 7.300 1.00 0.00 C ATOM 1206 CG1 VAL A 78 -11.118 -0.263 6.728 1.00 0.00 C ATOM 1207 CG2 VAL A 78 -12.592 1.537 7.646 1.00 0.00 C ATOM 0 H VAL A 78 -15.190 -0.370 7.673 1.00 0.00 H new ATOM 0 HA VAL A 78 -13.413 0.160 5.373 1.00 0.00 H new ATOM 0 HB VAL A 78 -12.623 -0.518 8.216 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -10.348 0.036 7.440 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -11.043 -1.334 6.541 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -10.977 0.279 5.793 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -11.796 1.803 8.341 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -12.494 2.131 6.737 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -13.559 1.737 8.108 1.00 0.00 H new ATOM 1217 N ASN A 79 -13.747 -2.267 4.867 1.00 0.00 N ATOM 1218 CA ASN A 79 -13.792 -3.681 4.525 1.00 0.00 C ATOM 1219 C ASN A 79 -12.668 -4.009 3.560 1.00 0.00 C ATOM 1220 O ASN A 79 -12.022 -3.110 3.026 1.00 0.00 O ATOM 1221 CB ASN A 79 -15.141 -4.034 3.884 1.00 0.00 C ATOM 1222 CG ASN A 79 -16.322 -3.751 4.795 1.00 0.00 C ATOM 1223 OD1 ASN A 79 -16.736 -4.603 5.579 1.00 0.00 O ATOM 1224 ND2 ASN A 79 -16.888 -2.555 4.684 1.00 0.00 N ATOM 0 H ASN A 79 -13.848 -1.639 4.070 1.00 0.00 H new ATOM 0 HA ASN A 79 -13.672 -4.266 5.437 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -15.258 -3.467 2.960 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -15.143 -5.090 3.613 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -17.695 -2.317 5.261 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -16.516 -1.874 4.022 1.00 0.00 H new ATOM 1231 N TRP A 80 -12.424 -5.288 3.341 1.00 0.00 N ATOM 1232 CA TRP A 80 -11.422 -5.703 2.374 1.00 0.00 C ATOM 1233 C TRP A 80 -12.023 -5.707 0.981 1.00 0.00 C ATOM 1234 O TRP A 80 -12.963 -6.457 0.705 1.00 0.00 O ATOM 1235 CB TRP A 80 -10.877 -7.093 2.705 1.00 0.00 C ATOM 1236 CG TRP A 80 -9.946 -7.113 3.876 1.00 0.00 C ATOM 1237 CD1 TRP A 80 -10.245 -7.467 5.159 1.00 0.00 C ATOM 1238 CD2 TRP A 80 -8.560 -6.758 3.867 1.00 0.00 C ATOM 1239 NE1 TRP A 80 -9.124 -7.360 5.947 1.00 0.00 N ATOM 1240 CE2 TRP A 80 -8.079 -6.924 5.178 1.00 0.00 C ATOM 1241 CE3 TRP A 80 -7.678 -6.317 2.877 1.00 0.00 C ATOM 1242 CZ2 TRP A 80 -6.757 -6.664 5.522 1.00 0.00 C ATOM 1243 CZ3 TRP A 80 -6.366 -6.059 3.221 1.00 0.00 C ATOM 1244 CH2 TRP A 80 -5.916 -6.232 4.535 1.00 0.00 C ATOM 0 H TRP A 80 -12.902 -6.054 3.816 1.00 0.00 H new ATOM 0 HA TRP A 80 -10.595 -4.994 2.415 1.00 0.00 H new ATOM 0 HB2 TRP A 80 -11.713 -7.763 2.906 1.00 0.00 H new ATOM 0 HB3 TRP A 80 -10.356 -7.486 1.832 1.00 0.00 H new ATOM 0 HD1 TRP A 80 -11.218 -7.784 5.504 1.00 0.00 H new ATOM 0 HE1 TRP A 80 -9.078 -7.571 6.944 1.00 0.00 H new ATOM 0 HE3 TRP A 80 -8.017 -6.180 1.861 1.00 0.00 H new ATOM 0 HZ2 TRP A 80 -6.407 -6.799 6.535 1.00 0.00 H new ATOM 0 HZ3 TRP A 80 -5.676 -5.718 2.464 1.00 0.00 H new ATOM 0 HH2 TRP A 80 -4.884 -6.020 4.774 1.00 0.00 H new ATOM 1255 N ALA A 81 -11.495 -4.864 0.108 1.00 0.00 N ATOM 1256 CA ALA A 81 -11.957 -4.813 -1.267 1.00 0.00 C ATOM 1257 C ALA A 81 -11.474 -6.045 -2.010 1.00 0.00 C ATOM 1258 O ALA A 81 -10.376 -6.065 -2.565 1.00 0.00 O ATOM 1259 CB ALA A 81 -11.472 -3.543 -1.948 1.00 0.00 C ATOM 0 H ALA A 81 -10.747 -4.207 0.328 1.00 0.00 H new ATOM 0 HA ALA A 81 -13.047 -4.800 -1.278 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -11.829 -3.523 -2.978 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -11.857 -2.674 -1.414 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -10.382 -3.520 -1.941 1.00 0.00 H new