USER MOD reduce.3.24.130724 H: found=0, std=0, add=704, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 706 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 20 GLN : amide:sc= 0.612 K(o=1.7,f=-3.2!) USER MOD Set 1.2: A 90 TYR OH : rot 79:sc= 1.13 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ 162:sc= 0.0749 (180deg=-0.383) USER MOD Single : A 12 CYS SG : rot 163:sc= -11.5! USER MOD Single : A 13 SER OG : rot 110:sc= -0.594 USER MOD Single : A 14 HIS : no HD1:sc= -6! C(o=-6!,f=-7.4!) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 GLN : amide:sc= -0.441 X(o=-0.44,f=0) USER MOD Single : A 31 LYS NZ :NH3+ -165:sc= 0 (180deg=-0.029) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 SER OG : rot -176:sc= -6.79! USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 SER OG : rot 59:sc= 1.16 USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 MET CE :methyl -148:sc= -5.45! (180deg=-9.19!) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 GLN : amide:sc= -0.0195 K(o=-0.019,f=-0.66) USER MOD Single : A 81 SER OG : rot -90:sc= -5.42! USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 SER OG : rot 130:sc= -0.39 USER MOD Single : A 91 HIS :FLIP no HE2:sc= -5.22! C(o=-6.4!,f=-5.2!) USER MOD Single : A 94 LYS NZ :NH3+ 169:sc= 0 (180deg=-0.0632) USER MOD ----------------------------------------------------------------- ATOM 98 N LYS A 9 7.623 8.759 0.460 1.00 0.00 N ATOM 99 CA LYS A 9 6.616 7.879 -0.100 1.00 0.00 C ATOM 100 C LYS A 9 6.296 6.741 0.849 1.00 0.00 C ATOM 101 O LYS A 9 7.088 6.408 1.730 1.00 0.00 O ATOM 102 CB LYS A 9 7.127 7.289 -1.410 1.00 0.00 C ATOM 103 CG LYS A 9 7.093 8.252 -2.578 1.00 0.00 C ATOM 104 CD LYS A 9 7.820 9.542 -2.256 1.00 0.00 C ATOM 105 CE LYS A 9 7.885 10.457 -3.465 1.00 0.00 C ATOM 106 NZ LYS A 9 7.577 11.871 -3.111 1.00 0.00 N ATOM 0 HA LYS A 9 5.712 8.465 -0.269 1.00 0.00 H new ATOM 0 HB2 LYS A 9 8.151 6.946 -1.266 1.00 0.00 H new ATOM 0 HB3 LYS A 9 6.529 6.412 -1.659 1.00 0.00 H new ATOM 0 HG2 LYS A 9 7.549 7.784 -3.450 1.00 0.00 H new ATOM 0 HG3 LYS A 9 6.058 8.472 -2.839 1.00 0.00 H new ATOM 0 HD2 LYS A 9 7.313 10.053 -1.438 1.00 0.00 H new ATOM 0 HD3 LYS A 9 8.830 9.317 -1.914 1.00 0.00 H new ATOM 0 HE2 LYS A 9 8.879 10.402 -3.908 1.00 0.00 H new ATOM 0 HE3 LYS A 9 7.180 10.110 -4.221 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 7.632 12.463 -3.965 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 6.618 11.928 -2.712 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 8.265 12.211 -2.409 1.00 0.00 H new ATOM 120 N ILE A 10 5.147 6.120 0.635 1.00 0.00 N ATOM 121 CA ILE A 10 4.746 4.984 1.445 1.00 0.00 C ATOM 122 C ILE A 10 4.780 3.736 0.596 1.00 0.00 C ATOM 123 O ILE A 10 4.343 3.735 -0.555 1.00 0.00 O ATOM 124 CB ILE A 10 3.342 5.129 2.064 1.00 0.00 C ATOM 125 CG1 ILE A 10 2.896 6.584 2.057 1.00 0.00 C ATOM 126 CG2 ILE A 10 3.331 4.578 3.483 1.00 0.00 C ATOM 127 CD1 ILE A 10 1.464 6.766 2.496 1.00 0.00 C ATOM 0 H ILE A 10 4.479 6.383 -0.090 1.00 0.00 H new ATOM 0 HA ILE A 10 5.452 4.926 2.274 1.00 0.00 H new ATOM 0 HB ILE A 10 2.640 4.554 1.460 1.00 0.00 H new ATOM 0 HG12 ILE A 10 3.547 7.161 2.714 1.00 0.00 H new ATOM 0 HG13 ILE A 10 3.016 6.990 1.053 1.00 0.00 H new ATOM 0 HG21 ILE A 10 2.333 4.687 3.908 1.00 0.00 H new ATOM 0 HG22 ILE A 10 3.605 3.523 3.466 1.00 0.00 H new ATOM 0 HG23 ILE A 10 4.047 5.129 4.093 1.00 0.00 H new ATOM 0 HD11 ILE A 10 1.207 7.825 2.469 1.00 0.00 H new ATOM 0 HD12 ILE A 10 0.805 6.216 1.825 1.00 0.00 H new ATOM 0 HD13 ILE A 10 1.344 6.389 3.512 1.00 0.00 H new ATOM 139 N LYS A 11 5.324 2.687 1.163 1.00 0.00 N ATOM 140 CA LYS A 11 5.449 1.425 0.457 1.00 0.00 C ATOM 141 C LYS A 11 4.453 0.410 0.993 1.00 0.00 C ATOM 142 O LYS A 11 4.708 -0.257 1.992 1.00 0.00 O ATOM 143 CB LYS A 11 6.886 0.914 0.577 1.00 0.00 C ATOM 144 CG LYS A 11 7.930 2.002 0.330 1.00 0.00 C ATOM 145 CD LYS A 11 9.081 1.912 1.319 1.00 0.00 C ATOM 146 CE LYS A 11 10.252 1.134 0.739 1.00 0.00 C ATOM 147 NZ LYS A 11 11.502 1.942 0.729 1.00 0.00 N ATOM 0 H LYS A 11 5.690 2.678 2.115 1.00 0.00 H new ATOM 0 HA LYS A 11 5.222 1.577 -0.598 1.00 0.00 H new ATOM 0 HB2 LYS A 11 7.035 0.495 1.572 1.00 0.00 H new ATOM 0 HB3 LYS A 11 7.038 0.104 -0.136 1.00 0.00 H new ATOM 0 HG2 LYS A 11 8.315 1.913 -0.686 1.00 0.00 H new ATOM 0 HG3 LYS A 11 7.459 2.982 0.407 1.00 0.00 H new ATOM 0 HD2 LYS A 11 9.408 2.916 1.591 1.00 0.00 H new ATOM 0 HD3 LYS A 11 8.739 1.429 2.234 1.00 0.00 H new ATOM 0 HE2 LYS A 11 10.410 0.227 1.322 1.00 0.00 H new ATOM 0 HE3 LYS A 11 10.013 0.822 -0.278 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 12.322 1.311 0.623 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 11.476 2.613 -0.066 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 11.583 2.467 1.623 1.00 0.00 H new ATOM 161 N CYS A 12 3.304 0.319 0.327 1.00 0.00 N ATOM 162 CA CYS A 12 2.247 -0.594 0.731 1.00 0.00 C ATOM 163 C CYS A 12 1.866 -1.528 -0.416 1.00 0.00 C ATOM 164 O CYS A 12 2.428 -1.448 -1.506 1.00 0.00 O ATOM 165 CB CYS A 12 1.031 0.216 1.201 1.00 0.00 C ATOM 166 SG CYS A 12 -0.017 -0.605 2.420 1.00 0.00 S ATOM 0 H CYS A 12 3.084 0.873 -0.501 1.00 0.00 H new ATOM 0 HA CYS A 12 2.605 -1.213 1.553 1.00 0.00 H new ATOM 0 HB2 CYS A 12 1.383 1.157 1.624 1.00 0.00 H new ATOM 0 HB3 CYS A 12 0.423 0.465 0.332 1.00 0.00 H new ATOM 0 HG CYS A 12 -0.777 0.275 3.002 1.00 0.00 H new ATOM 172 N SER A 13 0.912 -2.417 -0.162 1.00 0.00 N ATOM 173 CA SER A 13 0.448 -3.362 -1.171 1.00 0.00 C ATOM 174 C SER A 13 -1.057 -3.216 -1.370 1.00 0.00 C ATOM 175 O SER A 13 -1.743 -2.635 -0.529 1.00 0.00 O ATOM 176 CB SER A 13 0.792 -4.798 -0.757 1.00 0.00 C ATOM 177 OG SER A 13 -0.275 -5.399 -0.042 1.00 0.00 O ATOM 0 H SER A 13 0.443 -2.503 0.740 1.00 0.00 H new ATOM 0 HA SER A 13 0.951 -3.144 -2.113 1.00 0.00 H new ATOM 0 HB2 SER A 13 1.017 -5.390 -1.644 1.00 0.00 H new ATOM 0 HB3 SER A 13 1.690 -4.795 -0.139 1.00 0.00 H new ATOM 0 HG SER A 13 -0.686 -6.097 -0.594 1.00 0.00 H new ATOM 183 N HIS A 14 -1.574 -3.729 -2.484 1.00 0.00 N ATOM 184 CA HIS A 14 -3.003 -3.624 -2.759 1.00 0.00 C ATOM 185 C HIS A 14 -3.600 -4.944 -3.233 1.00 0.00 C ATOM 186 O HIS A 14 -2.912 -5.791 -3.805 1.00 0.00 O ATOM 187 CB HIS A 14 -3.270 -2.520 -3.790 1.00 0.00 C ATOM 188 CG HIS A 14 -2.931 -2.906 -5.199 1.00 0.00 C ATOM 189 ND1 HIS A 14 -1.641 -3.136 -5.626 1.00 0.00 N ATOM 190 CD2 HIS A 14 -3.724 -3.096 -6.279 1.00 0.00 C ATOM 191 CE1 HIS A 14 -1.656 -3.450 -6.910 1.00 0.00 C ATOM 192 NE2 HIS A 14 -2.908 -3.433 -7.328 1.00 0.00 N ATOM 0 H HIS A 14 -1.034 -4.214 -3.200 1.00 0.00 H new ATOM 0 HA HIS A 14 -3.492 -3.366 -1.820 1.00 0.00 H new ATOM 0 HB2 HIS A 14 -4.323 -2.241 -3.744 1.00 0.00 H new ATOM 0 HB3 HIS A 14 -2.694 -1.636 -3.518 1.00 0.00 H new ATOM 0 HD2 HIS A 14 -4.799 -3.000 -6.309 1.00 0.00 H new ATOM 0 HE1 HIS A 14 -0.791 -3.681 -7.514 1.00 0.00 H new ATOM 0 HE2 HIS A 14 -3.218 -3.638 -8.278 1.00 0.00 H new ATOM 201 N ILE A 15 -4.897 -5.095 -2.985 1.00 0.00 N ATOM 202 CA ILE A 15 -5.634 -6.290 -3.370 1.00 0.00 C ATOM 203 C ILE A 15 -7.122 -5.963 -3.492 1.00 0.00 C ATOM 204 O ILE A 15 -7.738 -5.473 -2.545 1.00 0.00 O ATOM 205 CB ILE A 15 -5.420 -7.429 -2.343 1.00 0.00 C ATOM 206 CG1 ILE A 15 -4.015 -8.017 -2.497 1.00 0.00 C ATOM 207 CG2 ILE A 15 -6.475 -8.524 -2.491 1.00 0.00 C ATOM 208 CD1 ILE A 15 -2.992 -7.400 -1.569 1.00 0.00 C ATOM 0 H ILE A 15 -5.465 -4.392 -2.512 1.00 0.00 H new ATOM 0 HA ILE A 15 -5.259 -6.631 -4.335 1.00 0.00 H new ATOM 0 HB ILE A 15 -5.523 -7.005 -1.344 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -4.058 -9.091 -2.314 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -3.686 -7.883 -3.527 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -6.293 -9.306 -1.754 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -7.466 -8.099 -2.332 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -6.420 -8.949 -3.493 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -2.021 -7.867 -1.736 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -2.919 -6.331 -1.767 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -3.297 -7.557 -0.535 1.00 0.00 H new ATOM 220 N LEU A 16 -7.691 -6.216 -4.668 1.00 0.00 N ATOM 221 CA LEU A 16 -9.100 -5.924 -4.908 1.00 0.00 C ATOM 222 C LEU A 16 -9.933 -7.193 -5.043 1.00 0.00 C ATOM 223 O LEU A 16 -9.575 -8.104 -5.788 1.00 0.00 O ATOM 224 CB LEU A 16 -9.252 -5.082 -6.176 1.00 0.00 C ATOM 225 CG LEU A 16 -10.454 -4.133 -6.186 1.00 0.00 C ATOM 226 CD1 LEU A 16 -10.412 -3.198 -4.985 1.00 0.00 C ATOM 227 CD2 LEU A 16 -10.496 -3.338 -7.485 1.00 0.00 C ATOM 0 H LEU A 16 -7.200 -6.621 -5.465 1.00 0.00 H new ATOM 0 HA LEU A 16 -9.467 -5.370 -4.044 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -8.344 -4.495 -6.314 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -9.331 -5.753 -7.031 1.00 0.00 H new ATOM 0 HG LEU A 16 -11.363 -4.731 -6.120 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -11.275 -2.532 -5.012 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -10.434 -3.784 -4.066 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -9.497 -2.607 -5.016 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -11.356 -2.669 -7.474 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -9.582 -2.752 -7.583 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -10.580 -4.023 -8.328 1.00 0.00 H new ATOM 239 N VAL A 17 -11.057 -7.234 -4.337 1.00 0.00 N ATOM 240 CA VAL A 17 -11.958 -8.379 -4.397 1.00 0.00 C ATOM 241 C VAL A 17 -13.412 -7.916 -4.332 1.00 0.00 C ATOM 242 O VAL A 17 -13.764 -7.062 -3.519 1.00 0.00 O ATOM 243 CB VAL A 17 -11.683 -9.388 -3.265 1.00 0.00 C ATOM 244 CG1 VAL A 17 -10.219 -9.810 -3.266 1.00 0.00 C ATOM 245 CG2 VAL A 17 -12.078 -8.816 -1.909 1.00 0.00 C ATOM 0 H VAL A 17 -11.366 -6.487 -3.716 1.00 0.00 H new ATOM 0 HA VAL A 17 -11.777 -8.882 -5.347 1.00 0.00 H new ATOM 0 HB VAL A 17 -12.296 -10.271 -3.446 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -10.045 -10.522 -2.460 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -9.975 -10.276 -4.221 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -9.588 -8.934 -3.118 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -11.872 -9.551 -1.130 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -11.503 -7.911 -1.715 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -13.142 -8.577 -1.911 1.00 0.00 H new ATOM 255 N LYS A 18 -14.250 -8.470 -5.205 1.00 0.00 N ATOM 256 CA LYS A 18 -15.659 -8.090 -5.250 1.00 0.00 C ATOM 257 C LYS A 18 -16.435 -8.682 -4.079 1.00 0.00 C ATOM 258 O LYS A 18 -17.336 -8.040 -3.536 1.00 0.00 O ATOM 259 CB LYS A 18 -16.288 -8.529 -6.573 1.00 0.00 C ATOM 260 CG LYS A 18 -15.975 -9.968 -6.952 1.00 0.00 C ATOM 261 CD LYS A 18 -14.852 -10.045 -7.974 1.00 0.00 C ATOM 262 CE LYS A 18 -15.394 -10.165 -9.389 1.00 0.00 C ATOM 263 NZ LYS A 18 -14.544 -11.050 -10.235 1.00 0.00 N ATOM 0 H LYS A 18 -13.980 -9.179 -5.887 1.00 0.00 H new ATOM 0 HA LYS A 18 -15.711 -7.004 -5.173 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -17.369 -8.407 -6.509 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -15.939 -7.869 -7.367 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -15.695 -10.527 -6.059 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -16.870 -10.441 -7.357 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -14.227 -9.155 -7.897 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -14.216 -10.902 -7.753 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -16.410 -10.559 -9.357 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -15.451 -9.175 -9.842 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -14.947 -11.106 -11.192 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -13.581 -10.660 -10.287 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -14.510 -12.002 -9.817 1.00 0.00 H new ATOM 277 N LYS A 19 -16.074 -9.895 -3.675 1.00 0.00 N ATOM 278 CA LYS A 19 -16.725 -10.544 -2.556 1.00 0.00 C ATOM 279 C LYS A 19 -16.266 -9.861 -1.267 1.00 0.00 C ATOM 280 O LYS A 19 -15.362 -10.322 -0.577 1.00 0.00 O ATOM 281 CB LYS A 19 -16.416 -12.047 -2.576 1.00 0.00 C ATOM 282 CG LYS A 19 -16.324 -12.686 -1.208 1.00 0.00 C ATOM 283 CD LYS A 19 -16.352 -14.205 -1.292 1.00 0.00 C ATOM 284 CE LYS A 19 -17.461 -14.790 -0.431 1.00 0.00 C ATOM 285 NZ LYS A 19 -18.041 -16.022 -1.036 1.00 0.00 N ATOM 0 H LYS A 19 -15.333 -10.445 -4.110 1.00 0.00 H new ATOM 0 HA LYS A 19 -17.809 -10.448 -2.621 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -17.190 -12.557 -3.150 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -15.474 -12.205 -3.101 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -15.404 -12.366 -0.718 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -17.152 -12.341 -0.589 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -16.495 -14.511 -2.328 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -15.391 -14.606 -0.971 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -17.068 -15.022 0.559 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -18.247 -14.047 -0.296 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -18.793 -16.390 -0.420 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -18.438 -15.796 -1.970 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -17.297 -16.741 -1.141 1.00 0.00 H new ATOM 299 N GLN A 20 -16.865 -8.712 -0.990 1.00 0.00 N ATOM 300 CA GLN A 20 -16.499 -7.901 0.165 1.00 0.00 C ATOM 301 C GLN A 20 -16.361 -8.711 1.445 1.00 0.00 C ATOM 302 O GLN A 20 -15.626 -8.312 2.349 1.00 0.00 O ATOM 303 CB GLN A 20 -17.514 -6.777 0.367 1.00 0.00 C ATOM 304 CG GLN A 20 -18.953 -7.263 0.435 1.00 0.00 C ATOM 305 CD GLN A 20 -19.773 -6.516 1.470 1.00 0.00 C ATOM 306 OE1 GLN A 20 -19.226 -5.886 2.376 1.00 0.00 O ATOM 307 NE2 GLN A 20 -21.092 -6.586 1.341 1.00 0.00 N ATOM 0 H GLN A 20 -17.615 -8.316 -1.556 1.00 0.00 H new ATOM 0 HA GLN A 20 -15.517 -7.480 -0.051 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -17.275 -6.244 1.287 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -17.419 -6.061 -0.450 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -19.418 -7.148 -0.544 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -18.962 -8.328 0.669 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -21.502 -7.120 0.575 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -21.696 -6.106 2.008 1.00 0.00 H new ATOM 316 N GLY A 21 -17.042 -9.843 1.536 1.00 0.00 N ATOM 317 CA GLY A 21 -16.924 -10.641 2.737 1.00 0.00 C ATOM 318 C GLY A 21 -15.530 -11.209 2.865 1.00 0.00 C ATOM 319 O GLY A 21 -15.007 -11.372 3.970 1.00 0.00 O ATOM 0 H GLY A 21 -17.661 -10.217 0.817 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -17.155 -10.030 3.610 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -17.652 -11.452 2.714 1.00 0.00 H new ATOM 323 N GLU A 22 -14.909 -11.474 1.725 1.00 0.00 N ATOM 324 CA GLU A 22 -13.554 -11.990 1.705 1.00 0.00 C ATOM 325 C GLU A 22 -12.579 -10.902 2.125 1.00 0.00 C ATOM 326 O GLU A 22 -11.608 -11.159 2.833 1.00 0.00 O ATOM 327 CB GLU A 22 -13.212 -12.523 0.315 1.00 0.00 C ATOM 328 CG GLU A 22 -12.944 -11.465 -0.738 1.00 0.00 C ATOM 329 CD GLU A 22 -11.671 -11.740 -1.510 1.00 0.00 C ATOM 330 OE1 GLU A 22 -10.589 -11.332 -1.039 1.00 0.00 O ATOM 331 OE2 GLU A 22 -11.754 -12.365 -2.587 1.00 0.00 O ATOM 0 H GLU A 22 -15.324 -11.339 0.803 1.00 0.00 H new ATOM 0 HA GLU A 22 -13.475 -12.815 2.413 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -12.333 -13.163 0.395 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -14.034 -13.152 -0.027 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -13.785 -11.422 -1.430 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -12.874 -10.488 -0.260 1.00 0.00 H new ATOM 338 N ALA A 23 -12.861 -9.682 1.692 1.00 0.00 N ATOM 339 CA ALA A 23 -12.028 -8.536 2.028 1.00 0.00 C ATOM 340 C ALA A 23 -11.794 -8.480 3.535 1.00 0.00 C ATOM 341 O ALA A 23 -10.701 -8.150 3.996 1.00 0.00 O ATOM 342 CB ALA A 23 -12.679 -7.247 1.536 1.00 0.00 C ATOM 0 H ALA A 23 -13.664 -9.459 1.104 1.00 0.00 H new ATOM 0 HA ALA A 23 -11.063 -8.644 1.532 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -12.046 -6.398 1.794 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -12.803 -7.292 0.454 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -13.654 -7.129 2.008 1.00 0.00 H new ATOM 348 N LEU A 24 -12.834 -8.822 4.296 1.00 0.00 N ATOM 349 CA LEU A 24 -12.754 -8.831 5.753 1.00 0.00 C ATOM 350 C LEU A 24 -11.923 -10.012 6.243 1.00 0.00 C ATOM 351 O LEU A 24 -11.291 -9.946 7.296 1.00 0.00 O ATOM 352 CB LEU A 24 -14.155 -8.887 6.365 1.00 0.00 C ATOM 353 CG LEU A 24 -14.325 -8.106 7.669 1.00 0.00 C ATOM 354 CD1 LEU A 24 -13.538 -8.761 8.792 1.00 0.00 C ATOM 355 CD2 LEU A 24 -13.890 -6.660 7.484 1.00 0.00 C ATOM 0 H LEU A 24 -13.743 -9.097 3.924 1.00 0.00 H new ATOM 0 HA LEU A 24 -12.267 -7.909 6.070 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -14.869 -8.505 5.635 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -14.413 -9.930 6.548 1.00 0.00 H new ATOM 0 HG LEU A 24 -15.381 -8.116 7.940 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -13.672 -8.190 9.711 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -13.897 -9.779 8.942 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -12.480 -8.784 8.530 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -14.018 -6.119 8.422 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -12.841 -6.631 7.188 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -14.499 -6.193 6.710 1.00 0.00 H new ATOM 367 N ALA A 25 -11.935 -11.095 5.476 1.00 0.00 N ATOM 368 CA ALA A 25 -11.183 -12.291 5.836 1.00 0.00 C ATOM 369 C ALA A 25 -9.731 -12.175 5.382 1.00 0.00 C ATOM 370 O ALA A 25 -8.806 -12.347 6.174 1.00 0.00 O ATOM 371 CB ALA A 25 -11.834 -13.524 5.228 1.00 0.00 C ATOM 0 H ALA A 25 -12.456 -11.170 4.602 1.00 0.00 H new ATOM 0 HA ALA A 25 -11.192 -12.390 6.921 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -11.263 -14.410 5.504 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -12.854 -13.618 5.601 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -11.852 -13.428 4.142 1.00 0.00 H new ATOM 377 N VAL A 26 -9.542 -11.882 4.098 1.00 0.00 N ATOM 378 CA VAL A 26 -8.208 -11.742 3.529 1.00 0.00 C ATOM 379 C VAL A 26 -7.320 -10.869 4.407 1.00 0.00 C ATOM 380 O VAL A 26 -6.133 -11.136 4.552 1.00 0.00 O ATOM 381 CB VAL A 26 -8.252 -11.148 2.105 1.00 0.00 C ATOM 382 CG1 VAL A 26 -9.306 -11.853 1.266 1.00 0.00 C ATOM 383 CG2 VAL A 26 -8.507 -9.646 2.147 1.00 0.00 C ATOM 0 H VAL A 26 -10.300 -11.737 3.431 1.00 0.00 H new ATOM 0 HA VAL A 26 -7.787 -12.746 3.477 1.00 0.00 H new ATOM 0 HB VAL A 26 -7.280 -11.308 1.639 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -9.323 -11.421 0.265 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -9.068 -12.915 1.199 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -10.284 -11.729 1.731 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -8.533 -9.253 1.131 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -9.462 -9.453 2.636 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -7.708 -9.157 2.705 1.00 0.00 H new ATOM 393 N GLN A 27 -7.897 -9.828 4.999 1.00 0.00 N ATOM 394 CA GLN A 27 -7.128 -8.947 5.865 1.00 0.00 C ATOM 395 C GLN A 27 -6.552 -9.746 7.029 1.00 0.00 C ATOM 396 O GLN A 27 -5.360 -9.662 7.326 1.00 0.00 O ATOM 397 CB GLN A 27 -7.991 -7.776 6.367 1.00 0.00 C ATOM 398 CG GLN A 27 -9.039 -8.160 7.396 1.00 0.00 C ATOM 399 CD GLN A 27 -9.601 -6.959 8.131 1.00 0.00 C ATOM 400 OE1 GLN A 27 -9.823 -7.005 9.340 1.00 0.00 O ATOM 401 NE2 GLN A 27 -9.835 -5.874 7.401 1.00 0.00 N ATOM 0 H GLN A 27 -8.880 -9.578 4.896 1.00 0.00 H new ATOM 0 HA GLN A 27 -6.304 -8.520 5.293 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -7.337 -7.019 6.799 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -8.490 -7.317 5.513 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -9.852 -8.691 6.901 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -8.600 -8.850 8.117 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -9.636 -5.880 6.401 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -10.214 -5.035 7.841 1.00 0.00 H new ATOM 410 N GLU A 28 -7.405 -10.543 7.665 1.00 0.00 N ATOM 411 CA GLU A 28 -6.990 -11.388 8.776 1.00 0.00 C ATOM 412 C GLU A 28 -6.156 -12.568 8.274 1.00 0.00 C ATOM 413 O GLU A 28 -5.306 -13.096 8.989 1.00 0.00 O ATOM 414 CB GLU A 28 -8.221 -11.889 9.546 1.00 0.00 C ATOM 415 CG GLU A 28 -8.984 -13.012 8.854 1.00 0.00 C ATOM 416 CD GLU A 28 -9.725 -13.900 9.834 1.00 0.00 C ATOM 417 OE1 GLU A 28 -9.056 -14.633 10.594 1.00 0.00 O ATOM 418 OE2 GLU A 28 -10.973 -13.864 9.842 1.00 0.00 O ATOM 0 H GLU A 28 -8.394 -10.620 7.427 1.00 0.00 H new ATOM 0 HA GLU A 28 -6.371 -10.796 9.451 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -7.903 -12.235 10.529 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -8.899 -11.051 9.707 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -9.695 -12.583 8.148 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -8.287 -13.618 8.275 1.00 0.00 H new ATOM 425 N ARG A 29 -6.433 -12.981 7.039 1.00 0.00 N ATOM 426 CA ARG A 29 -5.747 -14.107 6.416 1.00 0.00 C ATOM 427 C ARG A 29 -4.365 -13.713 5.900 1.00 0.00 C ATOM 428 O ARG A 29 -3.428 -14.508 5.934 1.00 0.00 O ATOM 429 CB ARG A 29 -6.601 -14.638 5.262 1.00 0.00 C ATOM 430 CG ARG A 29 -6.266 -16.058 4.845 1.00 0.00 C ATOM 431 CD ARG A 29 -6.662 -17.063 5.913 1.00 0.00 C ATOM 432 NE ARG A 29 -6.090 -18.384 5.662 1.00 0.00 N ATOM 433 CZ ARG A 29 -6.586 -19.251 4.781 1.00 0.00 C ATOM 434 NH1 ARG A 29 -7.663 -18.942 4.070 1.00 0.00 N ATOM 435 NH2 ARG A 29 -6.004 -20.430 4.612 1.00 0.00 N ATOM 0 H ARG A 29 -7.138 -12.545 6.445 1.00 0.00 H new ATOM 0 HA ARG A 29 -5.607 -14.882 7.170 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -7.651 -14.594 5.551 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -6.479 -13.980 4.402 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -6.780 -16.295 3.913 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -5.197 -16.137 4.648 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -6.332 -16.705 6.888 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -7.749 -17.140 5.953 1.00 0.00 H new ATOM 0 HE ARG A 29 -5.263 -18.658 6.192 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -8.115 -18.037 4.197 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -8.038 -19.610 3.397 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -5.177 -20.673 5.157 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -6.384 -21.094 3.937 1.00 0.00 H new ATOM 449 N LEU A 30 -4.254 -12.484 5.409 1.00 0.00 N ATOM 450 CA LEU A 30 -2.998 -11.975 4.868 1.00 0.00 C ATOM 451 C LEU A 30 -1.855 -12.150 5.863 1.00 0.00 C ATOM 452 O LEU A 30 -0.859 -12.810 5.568 1.00 0.00 O ATOM 453 CB LEU A 30 -3.157 -10.501 4.484 1.00 0.00 C ATOM 454 CG LEU A 30 -2.094 -9.953 3.530 1.00 0.00 C ATOM 455 CD1 LEU A 30 -0.711 -10.054 4.156 1.00 0.00 C ATOM 456 CD2 LEU A 30 -2.138 -10.694 2.201 1.00 0.00 C ATOM 0 H LEU A 30 -5.025 -11.817 5.374 1.00 0.00 H new ATOM 0 HA LEU A 30 -2.749 -12.551 3.977 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -4.137 -10.366 4.025 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -3.146 -9.903 5.395 1.00 0.00 H new ATOM 0 HG LEU A 30 -2.308 -8.901 3.343 1.00 0.00 H new ATOM 0 HD11 LEU A 30 0.032 -9.659 3.463 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -0.687 -9.477 5.081 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -0.486 -11.098 4.374 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -1.375 -10.291 1.534 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -1.950 -11.754 2.369 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -3.121 -10.568 1.746 1.00 0.00 H new ATOM 468 N LYS A 31 -2.002 -11.560 7.044 1.00 0.00 N ATOM 469 CA LYS A 31 -0.981 -11.661 8.080 1.00 0.00 C ATOM 470 C LYS A 31 -0.929 -13.069 8.671 1.00 0.00 C ATOM 471 O LYS A 31 -0.022 -13.398 9.433 1.00 0.00 O ATOM 472 CB LYS A 31 -1.241 -10.640 9.189 1.00 0.00 C ATOM 473 CG LYS A 31 -2.504 -10.918 9.990 1.00 0.00 C ATOM 474 CD LYS A 31 -3.622 -9.953 9.628 1.00 0.00 C ATOM 475 CE LYS A 31 -4.198 -9.277 10.863 1.00 0.00 C ATOM 476 NZ LYS A 31 -5.266 -8.300 10.515 1.00 0.00 N ATOM 0 H LYS A 31 -2.818 -11.007 7.308 1.00 0.00 H new ATOM 0 HA LYS A 31 -0.017 -11.448 7.618 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -0.387 -10.627 9.866 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -1.313 -9.646 8.747 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -2.833 -11.941 9.808 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -2.285 -10.838 11.055 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -3.242 -9.196 8.942 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -4.413 -10.491 9.104 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -4.603 -10.033 11.535 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -3.400 -8.766 11.402 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -5.454 -7.685 11.332 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -4.957 -7.720 9.709 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -6.135 -8.812 10.260 1.00 0.00 H new ATOM 490 N ALA A 32 -1.911 -13.897 8.318 1.00 0.00 N ATOM 491 CA ALA A 32 -1.976 -15.263 8.817 1.00 0.00 C ATOM 492 C ALA A 32 -0.728 -16.048 8.432 1.00 0.00 C ATOM 493 O ALA A 32 -0.369 -17.026 9.089 1.00 0.00 O ATOM 494 CB ALA A 32 -3.220 -15.955 8.282 1.00 0.00 C ATOM 0 H ALA A 32 -2.671 -13.642 7.688 1.00 0.00 H new ATOM 0 HA ALA A 32 -2.028 -15.226 9.905 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -3.260 -16.976 8.661 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -4.107 -15.412 8.608 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -3.186 -15.973 7.193 1.00 0.00 H new ATOM 500 N GLY A 33 -0.074 -15.618 7.360 1.00 0.00 N ATOM 501 CA GLY A 33 1.118 -16.290 6.899 1.00 0.00 C ATOM 502 C GLY A 33 1.293 -16.192 5.396 1.00 0.00 C ATOM 503 O GLY A 33 2.385 -16.426 4.876 1.00 0.00 O ATOM 0 H GLY A 33 -0.353 -14.811 6.801 1.00 0.00 H new ATOM 0 HA2 GLY A 33 1.989 -15.858 7.392 1.00 0.00 H new ATOM 0 HA3 GLY A 33 1.075 -17.340 7.189 1.00 0.00 H new ATOM 507 N GLU A 34 0.215 -15.848 4.692 1.00 0.00 N ATOM 508 CA GLU A 34 0.261 -15.722 3.240 1.00 0.00 C ATOM 509 C GLU A 34 0.889 -14.397 2.828 1.00 0.00 C ATOM 510 O GLU A 34 0.908 -13.438 3.599 1.00 0.00 O ATOM 511 CB GLU A 34 -1.141 -15.843 2.644 1.00 0.00 C ATOM 512 CG GLU A 34 -2.103 -14.776 3.133 1.00 0.00 C ATOM 513 CD GLU A 34 -3.534 -15.036 2.700 1.00 0.00 C ATOM 514 OE1 GLU A 34 -3.844 -16.192 2.343 1.00 0.00 O ATOM 515 OE2 GLU A 34 -4.343 -14.086 2.721 1.00 0.00 O ATOM 0 H GLU A 34 -0.697 -15.653 5.104 1.00 0.00 H new ATOM 0 HA GLU A 34 0.879 -16.533 2.854 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -1.071 -15.787 1.558 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -1.547 -16.825 2.887 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -2.060 -14.725 4.221 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -1.784 -13.804 2.756 1.00 0.00 H new ATOM 522 N LYS A 35 1.400 -14.353 1.604 1.00 0.00 N ATOM 523 CA LYS A 35 2.032 -13.147 1.084 1.00 0.00 C ATOM 524 C LYS A 35 1.065 -12.355 0.214 1.00 0.00 C ATOM 525 O LYS A 35 0.299 -12.925 -0.563 1.00 0.00 O ATOM 526 CB LYS A 35 3.282 -13.509 0.278 1.00 0.00 C ATOM 527 CG LYS A 35 4.085 -12.300 -0.175 1.00 0.00 C ATOM 528 CD LYS A 35 4.649 -12.496 -1.574 1.00 0.00 C ATOM 529 CE LYS A 35 5.642 -13.645 -1.617 1.00 0.00 C ATOM 530 NZ LYS A 35 5.953 -14.058 -3.014 1.00 0.00 N ATOM 0 H LYS A 35 1.389 -15.138 0.953 1.00 0.00 H new ATOM 0 HA LYS A 35 2.320 -12.525 1.931 1.00 0.00 H new ATOM 0 HB2 LYS A 35 3.920 -14.153 0.883 1.00 0.00 H new ATOM 0 HB3 LYS A 35 2.985 -14.086 -0.598 1.00 0.00 H new ATOM 0 HG2 LYS A 35 3.450 -11.414 -0.159 1.00 0.00 H new ATOM 0 HG3 LYS A 35 4.901 -12.121 0.525 1.00 0.00 H new ATOM 0 HD2 LYS A 35 3.835 -12.691 -2.272 1.00 0.00 H new ATOM 0 HD3 LYS A 35 5.138 -11.579 -1.902 1.00 0.00 H new ATOM 0 HE2 LYS A 35 6.562 -13.349 -1.113 1.00 0.00 H new ATOM 0 HE3 LYS A 35 5.237 -14.496 -1.069 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 6.634 -14.844 -3.000 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 5.080 -14.365 -3.488 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 6.363 -13.254 -3.531 1.00 0.00 H new ATOM 544 N PHE A 36 1.109 -11.032 0.349 1.00 0.00 N ATOM 545 CA PHE A 36 0.241 -10.152 -0.425 1.00 0.00 C ATOM 546 C PHE A 36 0.327 -10.476 -1.912 1.00 0.00 C ATOM 547 O PHE A 36 -0.649 -10.332 -2.648 1.00 0.00 O ATOM 548 CB PHE A 36 0.617 -8.687 -0.186 1.00 0.00 C ATOM 549 CG PHE A 36 2.099 -8.446 -0.116 1.00 0.00 C ATOM 550 CD1 PHE A 36 2.882 -8.526 -1.256 1.00 0.00 C ATOM 551 CD2 PHE A 36 2.706 -8.140 1.092 1.00 0.00 C ATOM 552 CE1 PHE A 36 4.244 -8.305 -1.193 1.00 0.00 C ATOM 553 CE2 PHE A 36 4.070 -7.918 1.159 1.00 0.00 C ATOM 554 CZ PHE A 36 4.839 -8.001 0.017 1.00 0.00 C ATOM 0 H PHE A 36 1.738 -10.546 0.988 1.00 0.00 H new ATOM 0 HA PHE A 36 -0.785 -10.313 -0.095 1.00 0.00 H new ATOM 0 HB2 PHE A 36 0.196 -8.078 -0.986 1.00 0.00 H new ATOM 0 HB3 PHE A 36 0.159 -8.351 0.744 1.00 0.00 H new ATOM 0 HD1 PHE A 36 2.423 -8.764 -2.204 1.00 0.00 H new ATOM 0 HD2 PHE A 36 2.109 -8.074 1.989 1.00 0.00 H new ATOM 0 HE1 PHE A 36 4.844 -8.370 -2.089 1.00 0.00 H new ATOM 0 HE2 PHE A 36 4.533 -7.680 2.105 1.00 0.00 H new ATOM 0 HZ PHE A 36 5.904 -7.829 0.068 1.00 0.00 H new ATOM 564 N GLY A 37 1.502 -10.920 -2.346 1.00 0.00 N ATOM 565 CA GLY A 37 1.695 -11.266 -3.739 1.00 0.00 C ATOM 566 C GLY A 37 0.810 -12.415 -4.171 1.00 0.00 C ATOM 567 O GLY A 37 0.349 -12.462 -5.311 1.00 0.00 O ATOM 0 H GLY A 37 2.324 -11.046 -1.756 1.00 0.00 H new ATOM 0 HA2 GLY A 37 1.486 -10.395 -4.360 1.00 0.00 H new ATOM 0 HA3 GLY A 37 2.739 -11.532 -3.904 1.00 0.00 H new ATOM 571 N LYS A 38 0.571 -13.346 -3.253 1.00 0.00 N ATOM 572 CA LYS A 38 -0.267 -14.503 -3.538 1.00 0.00 C ATOM 573 C LYS A 38 -1.709 -14.078 -3.787 1.00 0.00 C ATOM 574 O LYS A 38 -2.293 -14.413 -4.817 1.00 0.00 O ATOM 575 CB LYS A 38 -0.208 -15.500 -2.381 1.00 0.00 C ATOM 576 CG LYS A 38 1.207 -15.847 -1.946 1.00 0.00 C ATOM 577 CD LYS A 38 1.553 -17.296 -2.257 1.00 0.00 C ATOM 578 CE LYS A 38 2.273 -17.961 -1.093 1.00 0.00 C ATOM 579 NZ LYS A 38 3.455 -18.745 -1.546 1.00 0.00 N ATOM 0 H LYS A 38 0.947 -13.321 -2.305 1.00 0.00 H new ATOM 0 HA LYS A 38 0.113 -14.984 -4.440 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -0.750 -15.088 -1.530 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -0.723 -16.415 -2.674 1.00 0.00 H new ATOM 0 HG2 LYS A 38 1.914 -15.188 -2.450 1.00 0.00 H new ATOM 0 HG3 LYS A 38 1.312 -15.669 -0.876 1.00 0.00 H new ATOM 0 HD2 LYS A 38 0.641 -17.848 -2.485 1.00 0.00 H new ATOM 0 HD3 LYS A 38 2.182 -17.338 -3.146 1.00 0.00 H new ATOM 0 HE2 LYS A 38 2.593 -17.200 -0.382 1.00 0.00 H new ATOM 0 HE3 LYS A 38 1.581 -18.619 -0.566 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 3.918 -19.182 -0.723 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 3.147 -19.488 -2.205 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 4.127 -18.113 -2.026 1.00 0.00 H new ATOM 593 N LEU A 39 -2.273 -13.330 -2.841 1.00 0.00 N ATOM 594 CA LEU A 39 -3.646 -12.854 -2.958 1.00 0.00 C ATOM 595 C LEU A 39 -3.844 -12.114 -4.274 1.00 0.00 C ATOM 596 O LEU A 39 -4.924 -12.148 -4.859 1.00 0.00 O ATOM 597 CB LEU A 39 -4.003 -11.922 -1.794 1.00 0.00 C ATOM 598 CG LEU A 39 -4.040 -12.565 -0.397 1.00 0.00 C ATOM 599 CD1 LEU A 39 -4.843 -13.855 -0.413 1.00 0.00 C ATOM 600 CD2 LEU A 39 -2.634 -12.822 0.127 1.00 0.00 C ATOM 0 H LEU A 39 -1.799 -13.041 -1.985 1.00 0.00 H new ATOM 0 HA LEU A 39 -4.302 -13.724 -2.930 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -3.282 -11.104 -1.776 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -4.980 -11.482 -1.995 1.00 0.00 H new ATOM 0 HG LEU A 39 -4.531 -11.862 0.276 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -4.854 -14.289 0.587 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -5.865 -13.644 -0.728 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -4.387 -14.559 -1.110 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -2.692 -13.277 1.116 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -2.110 -13.495 -0.552 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -2.092 -11.879 0.193 1.00 0.00 H new ATOM 612 N ALA A 40 -2.787 -11.449 -4.737 1.00 0.00 N ATOM 613 CA ALA A 40 -2.846 -10.695 -5.984 1.00 0.00 C ATOM 614 C ALA A 40 -3.396 -11.563 -7.108 1.00 0.00 C ATOM 615 O ALA A 40 -4.366 -11.200 -7.775 1.00 0.00 O ATOM 616 CB ALA A 40 -1.463 -10.173 -6.344 1.00 0.00 C ATOM 0 H ALA A 40 -1.882 -11.418 -4.267 1.00 0.00 H new ATOM 0 HA ALA A 40 -3.517 -9.847 -5.848 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -1.517 -9.611 -7.277 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -1.102 -9.521 -5.549 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -0.778 -11.012 -6.465 1.00 0.00 H new ATOM 622 N LYS A 41 -2.777 -12.716 -7.300 1.00 0.00 N ATOM 623 CA LYS A 41 -3.204 -13.658 -8.323 1.00 0.00 C ATOM 624 C LYS A 41 -4.306 -14.580 -7.801 1.00 0.00 C ATOM 625 O LYS A 41 -5.055 -15.168 -8.582 1.00 0.00 O ATOM 626 CB LYS A 41 -2.015 -14.490 -8.805 1.00 0.00 C ATOM 627 CG LYS A 41 -0.765 -13.666 -9.076 1.00 0.00 C ATOM 628 CD LYS A 41 -0.024 -14.159 -10.311 1.00 0.00 C ATOM 629 CE LYS A 41 1.357 -14.690 -9.959 1.00 0.00 C ATOM 630 NZ LYS A 41 1.363 -16.172 -9.812 1.00 0.00 N ATOM 0 H LYS A 41 -1.971 -13.024 -6.757 1.00 0.00 H new ATOM 0 HA LYS A 41 -3.605 -13.085 -9.159 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -1.785 -15.248 -8.056 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -2.297 -15.018 -9.716 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -1.040 -12.620 -9.210 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -0.103 -13.713 -8.211 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -0.604 -14.945 -10.795 1.00 0.00 H new ATOM 0 HD3 LYS A 41 0.071 -13.344 -11.029 1.00 0.00 H new ATOM 0 HE2 LYS A 41 2.066 -14.400 -10.734 1.00 0.00 H new ATOM 0 HE3 LYS A 41 1.696 -14.232 -9.030 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 2.323 -16.493 -9.572 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 0.706 -16.448 -9.055 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 1.065 -16.611 -10.706 1.00 0.00 H new ATOM 644 N GLU A 42 -4.367 -14.744 -6.479 1.00 0.00 N ATOM 645 CA GLU A 42 -5.340 -15.643 -5.864 1.00 0.00 C ATOM 646 C GLU A 42 -6.782 -15.124 -5.944 1.00 0.00 C ATOM 647 O GLU A 42 -7.604 -15.698 -6.656 1.00 0.00 O ATOM 648 CB GLU A 42 -4.944 -15.899 -4.408 1.00 0.00 C ATOM 649 CG GLU A 42 -4.534 -17.337 -4.135 1.00 0.00 C ATOM 650 CD GLU A 42 -5.715 -18.286 -4.106 1.00 0.00 C ATOM 651 OE1 GLU A 42 -6.691 -18.043 -4.847 1.00 0.00 O ATOM 652 OE2 GLU A 42 -5.664 -19.274 -3.343 1.00 0.00 O ATOM 0 H GLU A 42 -3.755 -14.267 -5.817 1.00 0.00 H new ATOM 0 HA GLU A 42 -5.323 -16.574 -6.430 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -4.119 -15.238 -4.142 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -5.782 -15.639 -3.761 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -3.831 -17.662 -4.902 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -4.010 -17.386 -3.180 1.00 0.00 H new ATOM 659 N LEU A 43 -7.100 -14.049 -5.219 1.00 0.00 N ATOM 660 CA LEU A 43 -8.463 -13.507 -5.244 1.00 0.00 C ATOM 661 C LEU A 43 -8.510 -12.065 -5.748 1.00 0.00 C ATOM 662 O LEU A 43 -9.588 -11.541 -6.030 1.00 0.00 O ATOM 663 CB LEU A 43 -9.132 -13.594 -3.865 1.00 0.00 C ATOM 664 CG LEU A 43 -8.235 -13.312 -2.658 1.00 0.00 C ATOM 665 CD1 LEU A 43 -7.304 -14.485 -2.403 1.00 0.00 C ATOM 666 CD2 LEU A 43 -7.447 -12.024 -2.852 1.00 0.00 C ATOM 0 H LEU A 43 -6.448 -13.544 -4.618 1.00 0.00 H new ATOM 0 HA LEU A 43 -9.018 -14.128 -5.947 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -9.965 -12.891 -3.844 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -9.554 -14.593 -3.752 1.00 0.00 H new ATOM 0 HG LEU A 43 -8.872 -13.183 -1.783 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -6.673 -14.268 -1.541 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -7.893 -15.381 -2.205 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -6.677 -14.649 -3.279 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -6.818 -11.847 -1.980 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -6.820 -12.111 -3.740 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -8.138 -11.190 -2.976 1.00 0.00 H new ATOM 678 N SER A 44 -7.356 -11.420 -5.850 1.00 0.00 N ATOM 679 CA SER A 44 -7.308 -10.037 -6.306 1.00 0.00 C ATOM 680 C SER A 44 -7.791 -9.912 -7.749 1.00 0.00 C ATOM 681 O SER A 44 -7.482 -10.752 -8.595 1.00 0.00 O ATOM 682 CB SER A 44 -5.887 -9.498 -6.183 1.00 0.00 C ATOM 683 OG SER A 44 -5.785 -8.562 -5.130 1.00 0.00 O ATOM 0 H SER A 44 -6.448 -11.827 -5.626 1.00 0.00 H new ATOM 0 HA SER A 44 -7.975 -9.449 -5.675 1.00 0.00 H new ATOM 0 HB2 SER A 44 -5.196 -10.323 -6.008 1.00 0.00 H new ATOM 0 HB3 SER A 44 -5.591 -9.028 -7.121 1.00 0.00 H new ATOM 0 HG SER A 44 -4.880 -8.186 -5.113 1.00 0.00 H new ATOM 689 N ILE A 45 -8.543 -8.849 -8.019 1.00 0.00 N ATOM 690 CA ILE A 45 -9.068 -8.595 -9.358 1.00 0.00 C ATOM 691 C ILE A 45 -8.268 -7.497 -10.051 1.00 0.00 C ATOM 692 O ILE A 45 -8.418 -7.265 -11.250 1.00 0.00 O ATOM 693 CB ILE A 45 -10.551 -8.175 -9.308 1.00 0.00 C ATOM 694 CG1 ILE A 45 -10.702 -6.941 -8.422 1.00 0.00 C ATOM 695 CG2 ILE A 45 -11.413 -9.319 -8.791 1.00 0.00 C ATOM 696 CD1 ILE A 45 -12.106 -6.400 -8.334 1.00 0.00 C ATOM 0 H ILE A 45 -8.803 -8.147 -7.326 1.00 0.00 H new ATOM 0 HA ILE A 45 -8.980 -9.525 -9.920 1.00 0.00 H new ATOM 0 HB ILE A 45 -10.888 -7.931 -10.315 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -10.358 -7.187 -7.417 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -10.047 -6.156 -8.800 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -12.456 -9.004 -8.763 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -11.311 -10.179 -9.453 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -11.089 -9.594 -7.787 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -12.119 -5.525 -7.684 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -12.450 -6.118 -9.329 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -12.766 -7.165 -7.925 1.00 0.00 H new ATOM 745 N ALA A 50 -1.404 -6.649 -10.695 1.00 0.00 N ATOM 746 CA ALA A 50 -1.456 -7.829 -9.838 1.00 0.00 C ATOM 747 C ALA A 50 -0.255 -8.726 -10.101 1.00 0.00 C ATOM 748 O ALA A 50 0.125 -9.546 -9.266 1.00 0.00 O ATOM 749 CB ALA A 50 -2.750 -8.598 -10.061 1.00 0.00 C ATOM 0 HA ALA A 50 -1.427 -7.501 -8.799 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -2.769 -9.474 -9.413 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -3.600 -7.956 -9.828 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -2.810 -8.916 -11.102 1.00 0.00 H new ATOM 755 N LYS A 51 0.342 -8.546 -11.273 1.00 0.00 N ATOM 756 CA LYS A 51 1.506 -9.309 -11.676 1.00 0.00 C ATOM 757 C LYS A 51 2.740 -8.828 -10.927 1.00 0.00 C ATOM 758 O LYS A 51 3.808 -9.435 -10.997 1.00 0.00 O ATOM 759 CB LYS A 51 1.710 -9.139 -13.173 1.00 0.00 C ATOM 760 CG LYS A 51 0.928 -10.134 -14.011 1.00 0.00 C ATOM 761 CD LYS A 51 1.491 -11.541 -13.887 1.00 0.00 C ATOM 762 CE LYS A 51 0.397 -12.557 -13.601 1.00 0.00 C ATOM 763 NZ LYS A 51 -0.014 -13.292 -14.828 1.00 0.00 N ATOM 0 H LYS A 51 0.030 -7.867 -11.967 1.00 0.00 H new ATOM 0 HA LYS A 51 1.350 -10.362 -11.440 1.00 0.00 H new ATOM 0 HB2 LYS A 51 1.418 -8.128 -13.458 1.00 0.00 H new ATOM 0 HB3 LYS A 51 2.771 -9.241 -13.400 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -0.116 -10.131 -13.698 1.00 0.00 H new ATOM 0 HG3 LYS A 51 0.949 -9.825 -15.056 1.00 0.00 H new ATOM 0 HD2 LYS A 51 2.006 -11.810 -14.809 1.00 0.00 H new ATOM 0 HD3 LYS A 51 2.232 -11.568 -13.088 1.00 0.00 H new ATOM 0 HE2 LYS A 51 0.748 -13.268 -12.853 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -0.468 -12.048 -13.176 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -0.761 -13.975 -14.590 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -0.373 -12.617 -15.533 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 0.805 -13.799 -15.220 1.00 0.00 H new ATOM 777 N ARG A 52 2.571 -7.724 -10.215 1.00 0.00 N ATOM 778 CA ARG A 52 3.641 -7.122 -9.443 1.00 0.00 C ATOM 779 C ARG A 52 3.460 -7.422 -7.958 1.00 0.00 C ATOM 780 O ARG A 52 3.932 -6.673 -7.105 1.00 0.00 O ATOM 781 CB ARG A 52 3.667 -5.606 -9.662 1.00 0.00 C ATOM 782 CG ARG A 52 3.076 -5.145 -10.989 1.00 0.00 C ATOM 783 CD ARG A 52 4.099 -5.223 -12.110 1.00 0.00 C ATOM 784 NE ARG A 52 4.048 -4.050 -12.980 1.00 0.00 N ATOM 785 CZ ARG A 52 5.038 -3.683 -13.790 1.00 0.00 C ATOM 786 NH1 ARG A 52 6.157 -4.395 -13.847 1.00 0.00 N ATOM 787 NH2 ARG A 52 4.908 -2.601 -14.546 1.00 0.00 N ATOM 0 H ARG A 52 1.685 -7.221 -10.158 1.00 0.00 H new ATOM 0 HA ARG A 52 4.587 -7.548 -9.779 1.00 0.00 H new ATOM 0 HB2 ARG A 52 3.121 -5.126 -8.850 1.00 0.00 H new ATOM 0 HB3 ARG A 52 4.699 -5.261 -9.600 1.00 0.00 H new ATOM 0 HG2 ARG A 52 2.213 -5.763 -11.239 1.00 0.00 H new ATOM 0 HG3 ARG A 52 2.717 -4.120 -10.893 1.00 0.00 H new ATOM 0 HD2 ARG A 52 5.098 -5.315 -11.684 1.00 0.00 H new ATOM 0 HD3 ARG A 52 3.921 -6.121 -12.701 1.00 0.00 H new ATOM 0 HE ARG A 52 3.203 -3.479 -12.966 1.00 0.00 H new ATOM 0 HH11 ARG A 52 6.261 -5.228 -13.268 1.00 0.00 H new ATOM 0 HH12 ARG A 52 6.912 -4.109 -14.470 1.00 0.00 H new ATOM 0 HH21 ARG A 52 4.050 -2.051 -14.506 1.00 0.00 H new ATOM 0 HH22 ARG A 52 5.666 -2.319 -15.167 1.00 0.00 H new ATOM 801 N ASP A 53 2.756 -8.517 -7.664 1.00 0.00 N ATOM 802 CA ASP A 53 2.491 -8.928 -6.288 1.00 0.00 C ATOM 803 C ASP A 53 1.847 -7.795 -5.494 1.00 0.00 C ATOM 804 O ASP A 53 2.094 -7.640 -4.297 1.00 0.00 O ATOM 805 CB ASP A 53 3.782 -9.408 -5.607 1.00 0.00 C ATOM 806 CG ASP A 53 4.731 -8.280 -5.245 1.00 0.00 C ATOM 807 OD1 ASP A 53 4.531 -7.650 -4.185 1.00 0.00 O ATOM 808 OD2 ASP A 53 5.678 -8.029 -6.018 1.00 0.00 O ATOM 0 H ASP A 53 2.357 -9.138 -8.368 1.00 0.00 H new ATOM 0 HA ASP A 53 1.789 -9.761 -6.313 1.00 0.00 H new ATOM 0 HB2 ASP A 53 3.523 -9.959 -4.703 1.00 0.00 H new ATOM 0 HB3 ASP A 53 4.295 -10.105 -6.269 1.00 0.00 H new ATOM 813 N GLY A 54 1.015 -7.008 -6.169 1.00 0.00 N ATOM 814 CA GLY A 54 0.345 -5.901 -5.517 1.00 0.00 C ATOM 815 C GLY A 54 1.319 -4.933 -4.875 1.00 0.00 C ATOM 816 O GLY A 54 0.955 -4.187 -3.970 1.00 0.00 O ATOM 0 H GLY A 54 0.793 -7.119 -7.158 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -0.265 -5.368 -6.247 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -0.333 -6.288 -4.756 1.00 0.00 H new ATOM 820 N SER A 55 2.563 -4.954 -5.344 1.00 0.00 N ATOM 821 CA SER A 55 3.594 -4.077 -4.810 1.00 0.00 C ATOM 822 C SER A 55 3.345 -2.628 -5.205 1.00 0.00 C ATOM 823 O SER A 55 3.869 -2.149 -6.210 1.00 0.00 O ATOM 824 CB SER A 55 4.973 -4.520 -5.301 1.00 0.00 C ATOM 825 OG SER A 55 5.147 -4.216 -6.674 1.00 0.00 O ATOM 0 H SER A 55 2.879 -5.570 -6.093 1.00 0.00 H new ATOM 0 HA SER A 55 3.560 -4.145 -3.723 1.00 0.00 H new ATOM 0 HB2 SER A 55 5.747 -4.025 -4.715 1.00 0.00 H new ATOM 0 HB3 SER A 55 5.091 -5.592 -5.145 1.00 0.00 H new ATOM 0 HG SER A 55 5.044 -3.251 -6.811 1.00 0.00 H new ATOM 831 N LEU A 56 2.548 -1.930 -4.402 1.00 0.00 N ATOM 832 CA LEU A 56 2.241 -0.530 -4.667 1.00 0.00 C ATOM 833 C LEU A 56 3.523 0.294 -4.680 1.00 0.00 C ATOM 834 O LEU A 56 3.649 1.260 -5.433 1.00 0.00 O ATOM 835 CB LEU A 56 1.271 0.012 -3.616 1.00 0.00 C ATOM 836 CG LEU A 56 -0.133 -0.595 -3.659 1.00 0.00 C ATOM 837 CD1 LEU A 56 -1.049 0.113 -2.675 1.00 0.00 C ATOM 838 CD2 LEU A 56 -0.702 -0.523 -5.069 1.00 0.00 C ATOM 0 H LEU A 56 2.105 -2.310 -3.566 1.00 0.00 H new ATOM 0 HA LEU A 56 1.766 -0.456 -5.645 1.00 0.00 H new ATOM 0 HB2 LEU A 56 1.696 -0.162 -2.627 1.00 0.00 H new ATOM 0 HB3 LEU A 56 1.188 1.091 -3.742 1.00 0.00 H new ATOM 0 HG LEU A 56 -0.065 -1.644 -3.370 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -2.043 -0.332 -2.719 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -0.649 0.009 -1.666 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -1.113 1.170 -2.933 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -1.701 -0.959 -5.081 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -0.757 0.518 -5.386 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -0.056 -1.077 -5.751 1.00 0.00 H new ATOM 850 N GLY A 57 4.476 -0.110 -3.848 1.00 0.00 N ATOM 851 CA GLY A 57 5.748 0.584 -3.779 1.00 0.00 C ATOM 852 C GLY A 57 5.637 1.960 -3.155 1.00 0.00 C ATOM 853 O GLY A 57 4.620 2.295 -2.550 1.00 0.00 O ATOM 0 H GLY A 57 4.390 -0.908 -3.218 1.00 0.00 H new ATOM 0 HA2 GLY A 57 6.452 -0.015 -3.202 1.00 0.00 H new ATOM 0 HA3 GLY A 57 6.159 0.679 -4.784 1.00 0.00 H new ATOM 857 N TYR A 58 6.693 2.755 -3.296 1.00 0.00 N ATOM 858 CA TYR A 58 6.715 4.102 -2.728 1.00 0.00 C ATOM 859 C TYR A 58 5.749 5.036 -3.446 1.00 0.00 C ATOM 860 O TYR A 58 5.900 5.313 -4.636 1.00 0.00 O ATOM 861 CB TYR A 58 8.124 4.722 -2.763 1.00 0.00 C ATOM 862 CG TYR A 58 9.242 3.754 -3.099 1.00 0.00 C ATOM 863 CD1 TYR A 58 9.598 3.506 -4.418 1.00 0.00 C ATOM 864 CD2 TYR A 58 9.937 3.093 -2.094 1.00 0.00 C ATOM 865 CE1 TYR A 58 10.618 2.624 -4.728 1.00 0.00 C ATOM 866 CE2 TYR A 58 10.958 2.210 -2.396 1.00 0.00 C ATOM 867 CZ TYR A 58 11.294 1.980 -3.713 1.00 0.00 C ATOM 868 OH TYR A 58 12.310 1.104 -4.018 1.00 0.00 O ATOM 0 H TYR A 58 7.542 2.493 -3.796 1.00 0.00 H new ATOM 0 HA TYR A 58 6.402 3.991 -1.690 1.00 0.00 H new ATOM 0 HB2 TYR A 58 8.131 5.530 -3.495 1.00 0.00 H new ATOM 0 HB3 TYR A 58 8.332 5.170 -1.791 1.00 0.00 H new ATOM 0 HD1 TYR A 58 9.070 4.010 -5.215 1.00 0.00 H new ATOM 0 HD2 TYR A 58 9.676 3.271 -1.061 1.00 0.00 H new ATOM 0 HE1 TYR A 58 10.883 2.441 -5.759 1.00 0.00 H new ATOM 0 HE2 TYR A 58 11.489 1.703 -1.604 1.00 0.00 H new ATOM 0 HH TYR A 58 12.684 0.736 -3.190 1.00 0.00 H new ATOM 878 N PHE A 59 4.787 5.553 -2.695 1.00 0.00 N ATOM 879 CA PHE A 59 3.824 6.502 -3.227 1.00 0.00 C ATOM 880 C PHE A 59 3.644 7.643 -2.246 1.00 0.00 C ATOM 881 O PHE A 59 3.530 7.429 -1.039 1.00 0.00 O ATOM 882 CB PHE A 59 2.479 5.848 -3.522 1.00 0.00 C ATOM 883 CG PHE A 59 2.009 4.899 -2.457 1.00 0.00 C ATOM 884 CD1 PHE A 59 1.410 5.380 -1.305 1.00 0.00 C ATOM 885 CD2 PHE A 59 2.161 3.531 -2.610 1.00 0.00 C ATOM 886 CE1 PHE A 59 0.967 4.513 -0.325 1.00 0.00 C ATOM 887 CE2 PHE A 59 1.721 2.659 -1.633 1.00 0.00 C ATOM 888 CZ PHE A 59 1.123 3.152 -0.488 1.00 0.00 C ATOM 0 H PHE A 59 4.654 5.328 -1.709 1.00 0.00 H new ATOM 0 HA PHE A 59 4.214 6.881 -4.172 1.00 0.00 H new ATOM 0 HB2 PHE A 59 1.729 6.628 -3.654 1.00 0.00 H new ATOM 0 HB3 PHE A 59 2.549 5.310 -4.467 1.00 0.00 H new ATOM 0 HD1 PHE A 59 1.288 6.445 -1.171 1.00 0.00 H new ATOM 0 HD2 PHE A 59 2.628 3.142 -3.502 1.00 0.00 H new ATOM 0 HE1 PHE A 59 0.499 4.900 0.568 1.00 0.00 H new ATOM 0 HE2 PHE A 59 1.844 1.594 -1.763 1.00 0.00 H new ATOM 0 HZ PHE A 59 0.779 2.473 0.278 1.00 0.00 H new ATOM 898 N GLY A 60 3.633 8.852 -2.768 1.00 0.00 N ATOM 899 CA GLY A 60 3.484 10.018 -1.922 1.00 0.00 C ATOM 900 C GLY A 60 2.033 10.347 -1.634 1.00 0.00 C ATOM 901 O GLY A 60 1.133 9.595 -2.009 1.00 0.00 O ATOM 0 H GLY A 60 3.724 9.052 -3.764 1.00 0.00 H new ATOM 0 HA2 GLY A 60 4.008 9.849 -0.981 1.00 0.00 H new ATOM 0 HA3 GLY A 60 3.958 10.874 -2.402 1.00 0.00 H new ATOM 905 N ARG A 61 1.802 11.473 -0.967 1.00 0.00 N ATOM 906 CA ARG A 61 0.456 11.898 -0.627 1.00 0.00 C ATOM 907 C ARG A 61 -0.126 12.759 -1.735 1.00 0.00 C ATOM 908 O ARG A 61 0.012 13.981 -1.725 1.00 0.00 O ATOM 909 CB ARG A 61 0.457 12.672 0.693 1.00 0.00 C ATOM 910 CG ARG A 61 1.497 13.779 0.746 1.00 0.00 C ATOM 911 CD ARG A 61 1.008 14.964 1.564 1.00 0.00 C ATOM 912 NE ARG A 61 2.077 15.923 1.833 1.00 0.00 N ATOM 913 CZ ARG A 61 3.100 15.681 2.650 1.00 0.00 C ATOM 914 NH1 ARG A 61 3.195 14.518 3.281 1.00 0.00 N ATOM 915 NH2 ARG A 61 4.031 16.607 2.835 1.00 0.00 N ATOM 0 H ARG A 61 2.536 12.108 -0.652 1.00 0.00 H new ATOM 0 HA ARG A 61 -0.165 11.009 -0.512 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -0.531 13.104 0.852 1.00 0.00 H new ATOM 0 HB3 ARG A 61 0.636 11.976 1.513 1.00 0.00 H new ATOM 0 HG2 ARG A 61 2.420 13.393 1.179 1.00 0.00 H new ATOM 0 HG3 ARG A 61 1.733 14.107 -0.266 1.00 0.00 H new ATOM 0 HD2 ARG A 61 0.199 15.463 1.031 1.00 0.00 H new ATOM 0 HD3 ARG A 61 0.595 14.607 2.508 1.00 0.00 H new ATOM 0 HE ARG A 61 2.037 16.830 1.368 1.00 0.00 H new ATOM 0 HH11 ARG A 61 2.482 13.802 3.142 1.00 0.00 H new ATOM 0 HH12 ARG A 61 3.981 14.339 3.905 1.00 0.00 H new ATOM 0 HH21 ARG A 61 3.963 17.503 2.352 1.00 0.00 H new ATOM 0 HH22 ARG A 61 4.816 16.424 3.461 1.00 0.00 H new ATOM 929 N GLY A 62 -0.778 12.111 -2.690 1.00 0.00 N ATOM 930 CA GLY A 62 -1.371 12.834 -3.793 1.00 0.00 C ATOM 931 C GLY A 62 -1.356 12.051 -5.094 1.00 0.00 C ATOM 932 O GLY A 62 -1.171 12.625 -6.168 1.00 0.00 O ATOM 0 H GLY A 62 -0.906 11.099 -2.720 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -2.400 13.089 -3.541 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -0.835 13.773 -3.934 1.00 0.00 H new ATOM 936 N LYS A 63 -1.551 10.737 -5.001 1.00 0.00 N ATOM 937 CA LYS A 63 -1.558 9.884 -6.186 1.00 0.00 C ATOM 938 C LYS A 63 -2.533 8.715 -6.037 1.00 0.00 C ATOM 939 O LYS A 63 -2.574 7.824 -6.885 1.00 0.00 O ATOM 940 CB LYS A 63 -0.151 9.351 -6.460 1.00 0.00 C ATOM 941 CG LYS A 63 0.074 8.941 -7.905 1.00 0.00 C ATOM 942 CD LYS A 63 0.287 10.150 -8.801 1.00 0.00 C ATOM 943 CE LYS A 63 0.292 9.759 -10.271 1.00 0.00 C ATOM 944 NZ LYS A 63 1.310 10.522 -11.046 1.00 0.00 N ATOM 0 H LYS A 63 -1.705 10.243 -4.122 1.00 0.00 H new ATOM 0 HA LYS A 63 -1.889 10.493 -7.027 1.00 0.00 H new ATOM 0 HB2 LYS A 63 0.577 10.116 -6.191 1.00 0.00 H new ATOM 0 HB3 LYS A 63 0.035 8.493 -5.814 1.00 0.00 H new ATOM 0 HG2 LYS A 63 0.941 8.284 -7.967 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -0.784 8.370 -8.260 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -0.501 10.882 -8.620 1.00 0.00 H new ATOM 0 HD3 LYS A 63 1.232 10.630 -8.548 1.00 0.00 H new ATOM 0 HE2 LYS A 63 0.492 8.691 -10.362 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -0.696 9.936 -10.697 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 1.281 10.226 -12.043 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 1.105 11.540 -10.981 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 2.256 10.334 -10.656 1.00 0.00 H new ATOM 958 N MET A 64 -3.319 8.716 -4.958 1.00 0.00 N ATOM 959 CA MET A 64 -4.281 7.653 -4.716 1.00 0.00 C ATOM 960 C MET A 64 -5.575 8.214 -4.134 1.00 0.00 C ATOM 961 O MET A 64 -5.664 9.403 -3.828 1.00 0.00 O ATOM 962 CB MET A 64 -3.695 6.619 -3.759 1.00 0.00 C ATOM 963 CG MET A 64 -2.395 6.000 -4.245 1.00 0.00 C ATOM 964 SD MET A 64 -0.999 6.367 -3.163 1.00 0.00 S ATOM 965 CE MET A 64 -1.550 5.617 -1.633 1.00 0.00 C ATOM 0 H MET A 64 -3.304 9.443 -4.242 1.00 0.00 H new ATOM 0 HA MET A 64 -4.505 7.176 -5.670 1.00 0.00 H new ATOM 0 HB2 MET A 64 -3.523 7.090 -2.791 1.00 0.00 H new ATOM 0 HB3 MET A 64 -4.427 5.827 -3.602 1.00 0.00 H new ATOM 0 HG2 MET A 64 -2.518 4.919 -4.319 1.00 0.00 H new ATOM 0 HG3 MET A 64 -2.177 6.365 -5.249 1.00 0.00 H new ATOM 0 HE1 MET A 64 -1.159 6.184 -0.788 1.00 0.00 H new ATOM 0 HE2 MET A 64 -2.639 5.619 -1.599 1.00 0.00 H new ATOM 0 HE3 MET A 64 -1.187 4.591 -1.580 1.00 0.00 H new ATOM 975 N VAL A 65 -6.572 7.350 -3.982 1.00 0.00 N ATOM 976 CA VAL A 65 -7.858 7.760 -3.433 1.00 0.00 C ATOM 977 C VAL A 65 -7.726 8.123 -1.953 1.00 0.00 C ATOM 978 O VAL A 65 -6.819 7.653 -1.267 1.00 0.00 O ATOM 979 CB VAL A 65 -8.918 6.655 -3.609 1.00 0.00 C ATOM 980 CG1 VAL A 65 -9.070 6.298 -5.080 1.00 0.00 C ATOM 981 CG2 VAL A 65 -8.555 5.423 -2.795 1.00 0.00 C ATOM 0 H VAL A 65 -6.514 6.363 -4.231 1.00 0.00 H new ATOM 0 HA VAL A 65 -8.184 8.642 -3.985 1.00 0.00 H new ATOM 0 HB VAL A 65 -9.872 7.034 -3.243 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -9.822 5.516 -5.189 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -9.381 7.181 -5.638 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -8.116 5.941 -5.468 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -9.318 4.657 -2.935 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -7.590 5.039 -3.126 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -8.497 5.688 -1.739 1.00 0.00 H new ATOM 991 N LYS A 66 -8.625 8.976 -1.474 1.00 0.00 N ATOM 992 CA LYS A 66 -8.604 9.424 -0.083 1.00 0.00 C ATOM 993 C LYS A 66 -8.739 8.270 0.916 1.00 0.00 C ATOM 994 O LYS A 66 -7.990 8.206 1.890 1.00 0.00 O ATOM 995 CB LYS A 66 -9.716 10.450 0.154 1.00 0.00 C ATOM 996 CG LYS A 66 -9.201 11.855 0.421 1.00 0.00 C ATOM 997 CD LYS A 66 -9.706 12.396 1.750 1.00 0.00 C ATOM 998 CE LYS A 66 -11.225 12.461 1.786 1.00 0.00 C ATOM 999 NZ LYS A 66 -11.713 13.674 2.498 1.00 0.00 N ATOM 0 H LYS A 66 -9.382 9.374 -2.030 1.00 0.00 H new ATOM 0 HA LYS A 66 -7.630 9.882 0.088 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -10.371 10.472 -0.717 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -10.322 10.127 1.000 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -8.111 11.849 0.421 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -9.516 12.518 -0.385 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -9.349 11.762 2.561 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -9.294 13.391 1.919 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -11.613 12.458 0.767 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -11.615 11.570 2.278 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -12.753 13.680 2.500 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -11.365 13.665 3.478 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -11.363 14.525 2.014 1.00 0.00 H new ATOM 1013 N PRO A 67 -9.698 7.347 0.709 1.00 0.00 N ATOM 1014 CA PRO A 67 -9.902 6.225 1.624 1.00 0.00 C ATOM 1015 C PRO A 67 -8.707 5.286 1.655 1.00 0.00 C ATOM 1016 O PRO A 67 -8.301 4.806 2.713 1.00 0.00 O ATOM 1017 CB PRO A 67 -11.129 5.497 1.067 1.00 0.00 C ATOM 1018 CG PRO A 67 -11.295 5.979 -0.332 1.00 0.00 C ATOM 1019 CD PRO A 67 -10.649 7.334 -0.415 1.00 0.00 C ATOM 0 HA PRO A 67 -10.034 6.570 2.650 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -10.986 4.417 1.093 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -12.015 5.716 1.662 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -10.830 5.288 -1.035 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -12.351 6.039 -0.595 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -10.141 7.476 -1.369 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -11.385 8.133 -0.324 1.00 0.00 H new ATOM 1027 N PHE A 68 -8.153 5.033 0.482 1.00 0.00 N ATOM 1028 CA PHE A 68 -6.999 4.149 0.357 1.00 0.00 C ATOM 1029 C PHE A 68 -5.729 4.840 0.841 1.00 0.00 C ATOM 1030 O PHE A 68 -4.994 4.299 1.667 1.00 0.00 O ATOM 1031 CB PHE A 68 -6.828 3.695 -1.094 1.00 0.00 C ATOM 1032 CG PHE A 68 -5.950 2.488 -1.253 1.00 0.00 C ATOM 1033 CD1 PHE A 68 -4.583 2.630 -1.420 1.00 0.00 C ATOM 1034 CD2 PHE A 68 -6.493 1.214 -1.241 1.00 0.00 C ATOM 1035 CE1 PHE A 68 -3.772 1.523 -1.573 1.00 0.00 C ATOM 1036 CE2 PHE A 68 -5.686 0.100 -1.392 1.00 0.00 C ATOM 1037 CZ PHE A 68 -4.323 0.256 -1.559 1.00 0.00 C ATOM 0 H PHE A 68 -8.481 5.426 -0.400 1.00 0.00 H new ATOM 0 HA PHE A 68 -7.175 3.274 0.983 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -7.810 3.476 -1.514 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -6.409 4.517 -1.675 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -4.146 3.618 -1.431 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -7.558 1.089 -1.112 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -2.707 1.647 -1.704 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -6.120 -0.889 -1.379 1.00 0.00 H new ATOM 0 HZ PHE A 68 -3.690 -0.611 -1.678 1.00 0.00 H new ATOM 1047 N GLU A 69 -5.479 6.040 0.325 1.00 0.00 N ATOM 1048 CA GLU A 69 -4.299 6.804 0.709 1.00 0.00 C ATOM 1049 C GLU A 69 -4.262 7.021 2.217 1.00 0.00 C ATOM 1050 O GLU A 69 -3.190 7.087 2.822 1.00 0.00 O ATOM 1051 CB GLU A 69 -4.284 8.152 -0.013 1.00 0.00 C ATOM 1052 CG GLU A 69 -2.905 8.784 -0.097 1.00 0.00 C ATOM 1053 CD GLU A 69 -2.905 10.243 0.318 1.00 0.00 C ATOM 1054 OE1 GLU A 69 -3.415 10.547 1.417 1.00 0.00 O ATOM 1055 OE2 GLU A 69 -2.394 11.080 -0.455 1.00 0.00 O ATOM 0 H GLU A 69 -6.078 6.503 -0.359 1.00 0.00 H new ATOM 0 HA GLU A 69 -3.415 6.235 0.420 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -4.675 8.018 -1.022 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -4.957 8.837 0.502 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -2.216 8.229 0.540 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -2.533 8.701 -1.118 1.00 0.00 H new ATOM 1062 N ASP A 70 -5.440 7.135 2.817 1.00 0.00 N ATOM 1063 CA ASP A 70 -5.550 7.347 4.256 1.00 0.00 C ATOM 1064 C ASP A 70 -4.994 6.156 5.031 1.00 0.00 C ATOM 1065 O ASP A 70 -4.168 6.317 5.930 1.00 0.00 O ATOM 1066 CB ASP A 70 -7.009 7.587 4.646 1.00 0.00 C ATOM 1067 CG ASP A 70 -7.167 7.914 6.118 1.00 0.00 C ATOM 1068 OD1 ASP A 70 -7.076 6.984 6.946 1.00 0.00 O ATOM 1069 OD2 ASP A 70 -7.384 9.101 6.442 1.00 0.00 O ATOM 0 H ASP A 70 -6.334 7.084 2.329 1.00 0.00 H new ATOM 0 HA ASP A 70 -4.961 8.228 4.512 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -7.412 8.405 4.049 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -7.596 6.700 4.408 1.00 0.00 H new ATOM 1074 N ALA A 71 -5.456 4.960 4.679 1.00 0.00 N ATOM 1075 CA ALA A 71 -5.008 3.740 5.345 1.00 0.00 C ATOM 1076 C ALA A 71 -3.598 3.343 4.911 1.00 0.00 C ATOM 1077 O ALA A 71 -2.991 2.446 5.496 1.00 0.00 O ATOM 1078 CB ALA A 71 -5.984 2.606 5.068 1.00 0.00 C ATOM 0 H ALA A 71 -6.140 4.809 3.937 1.00 0.00 H new ATOM 0 HA ALA A 71 -4.979 3.937 6.417 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -5.641 1.701 5.569 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -6.971 2.876 5.442 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -6.039 2.428 3.994 1.00 0.00 H new ATOM 1084 N ALA A 72 -3.083 4.007 3.880 1.00 0.00 N ATOM 1085 CA ALA A 72 -1.748 3.711 3.371 1.00 0.00 C ATOM 1086 C ALA A 72 -0.670 4.049 4.398 1.00 0.00 C ATOM 1087 O ALA A 72 0.207 3.231 4.683 1.00 0.00 O ATOM 1088 CB ALA A 72 -1.499 4.469 2.076 1.00 0.00 C ATOM 0 H ALA A 72 -3.569 4.752 3.382 1.00 0.00 H new ATOM 0 HA ALA A 72 -1.696 2.640 3.174 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -0.500 4.240 1.707 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -2.238 4.171 1.332 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -1.581 5.540 2.260 1.00 0.00 H new ATOM 1094 N PHE A 73 -0.735 5.257 4.945 1.00 0.00 N ATOM 1095 CA PHE A 73 0.241 5.707 5.935 1.00 0.00 C ATOM 1096 C PHE A 73 -0.242 5.437 7.359 1.00 0.00 C ATOM 1097 O PHE A 73 0.282 6.007 8.316 1.00 0.00 O ATOM 1098 CB PHE A 73 0.519 7.201 5.761 1.00 0.00 C ATOM 1099 CG PHE A 73 -0.727 8.025 5.611 1.00 0.00 C ATOM 1100 CD1 PHE A 73 -1.577 8.221 6.686 1.00 0.00 C ATOM 1101 CD2 PHE A 73 -1.050 8.599 4.391 1.00 0.00 C ATOM 1102 CE1 PHE A 73 -2.726 8.976 6.550 1.00 0.00 C ATOM 1103 CE2 PHE A 73 -2.199 9.355 4.249 1.00 0.00 C ATOM 1104 CZ PHE A 73 -3.037 9.543 5.330 1.00 0.00 C ATOM 0 H PHE A 73 -1.454 5.945 4.720 1.00 0.00 H new ATOM 0 HA PHE A 73 1.160 5.143 5.774 1.00 0.00 H new ATOM 0 HB2 PHE A 73 1.082 7.561 6.622 1.00 0.00 H new ATOM 0 HB3 PHE A 73 1.150 7.346 4.884 1.00 0.00 H new ATOM 0 HD1 PHE A 73 -1.339 7.779 7.642 1.00 0.00 H new ATOM 0 HD2 PHE A 73 -0.397 8.454 3.543 1.00 0.00 H new ATOM 0 HE1 PHE A 73 -3.380 9.123 7.397 1.00 0.00 H new ATOM 0 HE2 PHE A 73 -2.441 9.798 3.294 1.00 0.00 H new ATOM 0 HZ PHE A 73 -3.935 10.133 5.221 1.00 0.00 H new ATOM 1114 N ARG A 74 -1.241 4.573 7.497 1.00 0.00 N ATOM 1115 CA ARG A 74 -1.787 4.246 8.809 1.00 0.00 C ATOM 1116 C ARG A 74 -1.169 2.963 9.361 1.00 0.00 C ATOM 1117 O ARG A 74 -1.018 2.810 10.573 1.00 0.00 O ATOM 1118 CB ARG A 74 -3.308 4.101 8.729 1.00 0.00 C ATOM 1119 CG ARG A 74 -4.020 4.430 10.031 1.00 0.00 C ATOM 1120 CD ARG A 74 -5.489 4.747 9.799 1.00 0.00 C ATOM 1121 NE ARG A 74 -5.731 6.184 9.707 1.00 0.00 N ATOM 1122 CZ ARG A 74 -5.584 7.028 10.726 1.00 0.00 C ATOM 1123 NH1 ARG A 74 -5.192 6.583 11.913 1.00 0.00 N ATOM 1124 NH2 ARG A 74 -5.829 8.320 10.557 1.00 0.00 N ATOM 0 H ARG A 74 -1.688 4.088 6.719 1.00 0.00 H new ATOM 0 HA ARG A 74 -1.540 5.062 9.488 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -3.686 4.754 7.943 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -3.552 3.079 8.439 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -3.933 3.588 10.717 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -3.534 5.281 10.507 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -5.824 4.264 8.881 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -6.083 4.331 10.613 1.00 0.00 H new ATOM 0 HE ARG A 74 -6.030 6.564 8.809 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -5.002 5.590 12.048 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -5.081 7.234 12.690 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -6.130 8.667 9.646 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -5.716 8.967 11.338 1.00 0.00 H new ATOM 1138 N LEU A 75 -0.819 2.040 8.469 1.00 0.00 N ATOM 1139 CA LEU A 75 -0.223 0.772 8.881 1.00 0.00 C ATOM 1140 C LEU A 75 1.282 0.759 8.635 1.00 0.00 C ATOM 1141 O LEU A 75 1.800 -0.132 7.963 1.00 0.00 O ATOM 1142 CB LEU A 75 -0.874 -0.398 8.139 1.00 0.00 C ATOM 1143 CG LEU A 75 -2.340 -0.220 7.760 1.00 0.00 C ATOM 1144 CD1 LEU A 75 -2.911 -1.569 7.389 1.00 0.00 C ATOM 1145 CD2 LEU A 75 -3.142 0.397 8.902 1.00 0.00 C ATOM 0 H LEU A 75 -0.937 2.145 7.461 1.00 0.00 H new ATOM 0 HA LEU A 75 -0.400 0.662 9.951 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -0.305 -0.586 7.229 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -0.786 -1.290 8.760 1.00 0.00 H new ATOM 0 HG LEU A 75 -2.405 0.462 6.913 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -3.960 -1.457 7.115 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -2.357 -1.979 6.544 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -2.828 -2.246 8.240 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -4.182 0.509 8.597 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -3.088 -0.252 9.776 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -2.729 1.375 9.150 1.00 0.00 H new ATOM 1157 N GLN A 76 1.984 1.736 9.196 1.00 0.00 N ATOM 1158 CA GLN A 76 3.433 1.803 9.039 1.00 0.00 C ATOM 1159 C GLN A 76 4.077 0.529 9.580 1.00 0.00 C ATOM 1160 O GLN A 76 5.190 0.167 9.197 1.00 0.00 O ATOM 1161 CB GLN A 76 3.991 3.031 9.759 1.00 0.00 C ATOM 1162 CG GLN A 76 3.904 4.306 8.936 1.00 0.00 C ATOM 1163 CD GLN A 76 5.020 5.281 9.253 1.00 0.00 C ATOM 1164 OE1 GLN A 76 5.611 5.240 10.333 1.00 0.00 O ATOM 1165 NE2 GLN A 76 5.318 6.169 8.311 1.00 0.00 N ATOM 0 H GLN A 76 1.580 2.485 9.758 1.00 0.00 H new ATOM 0 HA GLN A 76 3.668 1.891 7.978 1.00 0.00 H new ATOM 0 HB2 GLN A 76 3.448 3.173 10.693 1.00 0.00 H new ATOM 0 HB3 GLN A 76 5.033 2.847 10.021 1.00 0.00 H new ATOM 0 HG2 GLN A 76 3.937 4.053 7.876 1.00 0.00 H new ATOM 0 HG3 GLN A 76 2.943 4.787 9.119 1.00 0.00 H new ATOM 0 HE21 GLN A 76 4.804 6.169 7.430 1.00 0.00 H new ATOM 0 HE22 GLN A 76 6.060 6.850 8.469 1.00 0.00 H new ATOM 1174 N VAL A 77 3.353 -0.154 10.465 1.00 0.00 N ATOM 1175 CA VAL A 77 3.826 -1.402 11.059 1.00 0.00 C ATOM 1176 C VAL A 77 3.864 -2.512 10.009 1.00 0.00 C ATOM 1177 O VAL A 77 4.663 -3.442 10.104 1.00 0.00 O ATOM 1178 CB VAL A 77 2.938 -1.845 12.264 1.00 0.00 C ATOM 1179 CG1 VAL A 77 1.561 -1.199 12.210 1.00 0.00 C ATOM 1180 CG2 VAL A 77 2.797 -3.362 12.329 1.00 0.00 C ATOM 0 H VAL A 77 2.431 0.139 10.788 1.00 0.00 H new ATOM 0 HA VAL A 77 4.834 -1.221 11.433 1.00 0.00 H new ATOM 0 HB VAL A 77 3.444 -1.506 13.168 1.00 0.00 H new ATOM 0 HG11 VAL A 77 0.970 -1.530 13.064 1.00 0.00 H new ATOM 0 HG12 VAL A 77 1.666 -0.115 12.240 1.00 0.00 H new ATOM 0 HG13 VAL A 77 1.059 -1.489 11.287 1.00 0.00 H new ATOM 0 HG21 VAL A 77 2.172 -3.633 13.180 1.00 0.00 H new ATOM 0 HG22 VAL A 77 2.336 -3.724 11.410 1.00 0.00 H new ATOM 0 HG23 VAL A 77 3.782 -3.814 12.443 1.00 0.00 H new ATOM 1190 N GLY A 78 2.991 -2.406 9.012 1.00 0.00 N ATOM 1191 CA GLY A 78 2.935 -3.407 7.963 1.00 0.00 C ATOM 1192 C GLY A 78 1.859 -4.434 8.209 1.00 0.00 C ATOM 1193 O GLY A 78 2.132 -5.630 8.313 1.00 0.00 O ATOM 0 H GLY A 78 2.321 -1.644 8.912 1.00 0.00 H new ATOM 0 HA2 GLY A 78 2.755 -2.917 7.006 1.00 0.00 H new ATOM 0 HA3 GLY A 78 3.901 -3.907 7.889 1.00 0.00 H new ATOM 1197 N GLU A 79 0.636 -3.955 8.305 1.00 0.00 N ATOM 1198 CA GLU A 79 -0.511 -4.805 8.544 1.00 0.00 C ATOM 1199 C GLU A 79 -1.597 -4.483 7.531 1.00 0.00 C ATOM 1200 O GLU A 79 -1.437 -3.575 6.719 1.00 0.00 O ATOM 1201 CB GLU A 79 -1.010 -4.609 9.981 1.00 0.00 C ATOM 1202 CG GLU A 79 -2.068 -3.532 10.140 1.00 0.00 C ATOM 1203 CD GLU A 79 -2.634 -3.474 11.546 1.00 0.00 C ATOM 1204 OE1 GLU A 79 -2.533 -4.486 12.269 1.00 0.00 O ATOM 1205 OE2 GLU A 79 -3.180 -2.415 11.923 1.00 0.00 O ATOM 0 H GLU A 79 0.409 -2.964 8.219 1.00 0.00 H new ATOM 0 HA GLU A 79 -0.231 -5.852 8.425 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -1.415 -5.554 10.343 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -0.160 -4.362 10.617 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -1.637 -2.564 9.886 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -2.878 -3.716 9.434 1.00 0.00 H new ATOM 1212 N VAL A 80 -2.699 -5.213 7.579 1.00 0.00 N ATOM 1213 CA VAL A 80 -3.797 -4.952 6.665 1.00 0.00 C ATOM 1214 C VAL A 80 -4.734 -3.916 7.273 1.00 0.00 C ATOM 1215 O VAL A 80 -4.871 -3.839 8.494 1.00 0.00 O ATOM 1216 CB VAL A 80 -4.592 -6.229 6.330 1.00 0.00 C ATOM 1217 CG1 VAL A 80 -5.601 -5.947 5.228 1.00 0.00 C ATOM 1218 CG2 VAL A 80 -3.650 -7.353 5.926 1.00 0.00 C ATOM 0 H VAL A 80 -2.856 -5.981 8.232 1.00 0.00 H new ATOM 0 HA VAL A 80 -3.368 -4.576 5.736 1.00 0.00 H new ATOM 0 HB VAL A 80 -5.135 -6.546 7.220 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -6.156 -6.857 5.001 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -6.294 -5.173 5.558 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -5.078 -5.608 4.334 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -4.229 -8.247 5.693 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -3.079 -7.051 5.048 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -2.966 -7.567 6.747 1.00 0.00 H new ATOM 1228 N SER A 81 -5.363 -3.106 6.432 1.00 0.00 N ATOM 1229 CA SER A 81 -6.261 -2.067 6.920 1.00 0.00 C ATOM 1230 C SER A 81 -7.720 -2.454 6.711 1.00 0.00 C ATOM 1231 O SER A 81 -8.032 -3.380 5.962 1.00 0.00 O ATOM 1232 CB SER A 81 -5.967 -0.739 6.215 1.00 0.00 C ATOM 1233 OG SER A 81 -5.337 0.177 7.095 1.00 0.00 O ATOM 0 H SER A 81 -5.270 -3.147 5.417 1.00 0.00 H new ATOM 0 HA SER A 81 -6.089 -1.952 7.990 1.00 0.00 H new ATOM 0 HB2 SER A 81 -5.327 -0.916 5.351 1.00 0.00 H new ATOM 0 HB3 SER A 81 -6.896 -0.309 5.841 1.00 0.00 H new ATOM 0 HG SER A 81 -6.019 0.710 7.555 1.00 0.00 H new ATOM 1239 N GLU A 82 -8.604 -1.747 7.405 1.00 0.00 N ATOM 1240 CA GLU A 82 -10.036 -2.011 7.337 1.00 0.00 C ATOM 1241 C GLU A 82 -10.533 -2.082 5.896 1.00 0.00 C ATOM 1242 O GLU A 82 -9.941 -1.500 4.984 1.00 0.00 O ATOM 1243 CB GLU A 82 -10.802 -0.926 8.097 1.00 0.00 C ATOM 1244 CG GLU A 82 -10.313 -0.727 9.521 1.00 0.00 C ATOM 1245 CD GLU A 82 -9.519 0.554 9.692 1.00 0.00 C ATOM 1246 OE1 GLU A 82 -8.466 0.692 9.035 1.00 0.00 O ATOM 1247 OE2 GLU A 82 -9.950 1.419 10.483 1.00 0.00 O ATOM 0 H GLU A 82 -8.351 -0.979 8.027 1.00 0.00 H new ATOM 0 HA GLU A 82 -10.216 -2.982 7.799 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -10.715 0.016 7.556 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -11.860 -1.185 8.117 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -11.169 -0.713 10.196 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -9.693 -1.576 9.810 1.00 0.00 H new ATOM 1254 N PRO A 83 -11.642 -2.803 5.672 1.00 0.00 N ATOM 1255 CA PRO A 83 -12.225 -2.948 4.340 1.00 0.00 C ATOM 1256 C PRO A 83 -12.523 -1.598 3.706 1.00 0.00 C ATOM 1257 O PRO A 83 -13.490 -0.928 4.069 1.00 0.00 O ATOM 1258 CB PRO A 83 -13.526 -3.724 4.588 1.00 0.00 C ATOM 1259 CG PRO A 83 -13.777 -3.609 6.053 1.00 0.00 C ATOM 1260 CD PRO A 83 -12.421 -3.525 6.688 1.00 0.00 C ATOM 0 HA PRO A 83 -11.548 -3.453 3.651 1.00 0.00 H new ATOM 0 HB2 PRO A 83 -14.351 -3.303 4.013 1.00 0.00 H new ATOM 0 HB3 PRO A 83 -13.426 -4.767 4.286 1.00 0.00 H new ATOM 0 HG2 PRO A 83 -14.372 -2.725 6.281 1.00 0.00 H new ATOM 0 HG3 PRO A 83 -14.331 -4.471 6.425 1.00 0.00 H new ATOM 0 HD2 PRO A 83 -12.449 -2.988 7.636 1.00 0.00 H new ATOM 0 HD3 PRO A 83 -12.006 -4.512 6.893 1.00 0.00 H new ATOM 1268 N VAL A 84 -11.686 -1.204 2.756 1.00 0.00 N ATOM 1269 CA VAL A 84 -11.861 0.068 2.073 1.00 0.00 C ATOM 1270 C VAL A 84 -12.488 -0.140 0.701 1.00 0.00 C ATOM 1271 O VAL A 84 -11.811 -0.525 -0.253 1.00 0.00 O ATOM 1272 CB VAL A 84 -10.522 0.808 1.888 1.00 0.00 C ATOM 1273 CG1 VAL A 84 -10.738 2.116 1.143 1.00 0.00 C ATOM 1274 CG2 VAL A 84 -9.851 1.062 3.227 1.00 0.00 C ATOM 0 H VAL A 84 -10.881 -1.746 2.442 1.00 0.00 H new ATOM 0 HA VAL A 84 -12.517 0.672 2.700 1.00 0.00 H new ATOM 0 HB VAL A 84 -9.862 0.174 1.295 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -9.783 2.627 1.020 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -11.168 1.910 0.163 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -11.418 2.750 1.711 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -8.908 1.585 3.068 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -10.504 1.672 3.851 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -9.659 0.111 3.724 1.00 0.00 H new ATOM 1284 N LYS A 85 -13.785 0.122 0.609 1.00 0.00 N ATOM 1285 CA LYS A 85 -14.504 -0.031 -0.646 1.00 0.00 C ATOM 1286 C LYS A 85 -14.589 1.301 -1.380 1.00 0.00 C ATOM 1287 O LYS A 85 -15.266 2.226 -0.933 1.00 0.00 O ATOM 1288 CB LYS A 85 -15.911 -0.578 -0.381 1.00 0.00 C ATOM 1289 CG LYS A 85 -16.811 -0.594 -1.608 1.00 0.00 C ATOM 1290 CD LYS A 85 -16.233 -1.463 -2.713 1.00 0.00 C ATOM 1291 CE LYS A 85 -17.324 -2.227 -3.447 1.00 0.00 C ATOM 1292 NZ LYS A 85 -18.226 -1.315 -4.204 1.00 0.00 N ATOM 0 H LYS A 85 -14.359 0.441 1.389 1.00 0.00 H new ATOM 0 HA LYS A 85 -13.960 -0.737 -1.274 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -15.828 -1.592 0.009 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -16.383 0.024 0.395 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -17.798 -0.964 -1.331 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -16.944 0.423 -1.976 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -15.685 -0.839 -3.420 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -15.517 -2.167 -2.288 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -16.869 -2.940 -4.134 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -17.909 -2.804 -2.730 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -18.956 -1.874 -4.690 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -18.680 -0.651 -3.545 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -17.673 -0.783 -4.906 1.00 0.00 H new ATOM 1306 N SER A 86 -13.905 1.388 -2.516 1.00 0.00 N ATOM 1307 CA SER A 86 -13.911 2.605 -3.316 1.00 0.00 C ATOM 1308 C SER A 86 -14.631 2.370 -4.638 1.00 0.00 C ATOM 1309 O SER A 86 -15.153 1.283 -4.885 1.00 0.00 O ATOM 1310 CB SER A 86 -12.481 3.083 -3.576 1.00 0.00 C ATOM 1311 OG SER A 86 -11.972 3.796 -2.461 1.00 0.00 O ATOM 0 H SER A 86 -13.341 0.631 -2.902 1.00 0.00 H new ATOM 0 HA SER A 86 -14.442 3.377 -2.759 1.00 0.00 H new ATOM 0 HB2 SER A 86 -11.841 2.227 -3.788 1.00 0.00 H new ATOM 0 HB3 SER A 86 -12.462 3.721 -4.459 1.00 0.00 H new ATOM 0 HG SER A 86 -11.092 3.440 -2.219 1.00 0.00 H new ATOM 1317 N GLU A 87 -14.651 3.391 -5.489 1.00 0.00 N ATOM 1318 CA GLU A 87 -15.304 3.286 -6.789 1.00 0.00 C ATOM 1319 C GLU A 87 -14.760 2.096 -7.579 1.00 0.00 C ATOM 1320 O GLU A 87 -15.421 1.587 -8.485 1.00 0.00 O ATOM 1321 CB GLU A 87 -15.106 4.576 -7.586 1.00 0.00 C ATOM 1322 CG GLU A 87 -13.647 4.925 -7.828 1.00 0.00 C ATOM 1323 CD GLU A 87 -13.132 5.979 -6.868 1.00 0.00 C ATOM 1324 OE1 GLU A 87 -13.526 7.156 -7.012 1.00 0.00 O ATOM 1325 OE2 GLU A 87 -12.337 5.629 -5.972 1.00 0.00 O ATOM 0 H GLU A 87 -14.224 4.298 -5.302 1.00 0.00 H new ATOM 0 HA GLU A 87 -16.370 3.130 -6.621 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -15.612 4.481 -8.547 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -15.584 5.399 -7.054 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -13.041 4.024 -7.732 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -13.528 5.281 -8.851 1.00 0.00 H new ATOM 1332 N PHE A 88 -13.552 1.661 -7.229 1.00 0.00 N ATOM 1333 CA PHE A 88 -12.917 0.535 -7.904 1.00 0.00 C ATOM 1334 C PHE A 88 -13.347 -0.796 -7.289 1.00 0.00 C ATOM 1335 O PHE A 88 -13.353 -1.825 -7.964 1.00 0.00 O ATOM 1336 CB PHE A 88 -11.396 0.679 -7.837 1.00 0.00 C ATOM 1337 CG PHE A 88 -10.767 1.019 -9.158 1.00 0.00 C ATOM 1338 CD1 PHE A 88 -10.792 0.113 -10.206 1.00 0.00 C ATOM 1339 CD2 PHE A 88 -10.152 2.245 -9.349 1.00 0.00 C ATOM 1340 CE1 PHE A 88 -10.215 0.425 -11.422 1.00 0.00 C ATOM 1341 CE2 PHE A 88 -9.573 2.563 -10.564 1.00 0.00 C ATOM 1342 CZ PHE A 88 -9.605 1.652 -11.602 1.00 0.00 C ATOM 0 H PHE A 88 -12.994 2.072 -6.481 1.00 0.00 H new ATOM 0 HA PHE A 88 -13.235 0.541 -8.946 1.00 0.00 H new ATOM 0 HB2 PHE A 88 -11.144 1.454 -7.113 1.00 0.00 H new ATOM 0 HB3 PHE A 88 -10.967 -0.253 -7.468 1.00 0.00 H new ATOM 0 HD1 PHE A 88 -11.268 -0.847 -10.071 1.00 0.00 H new ATOM 0 HD2 PHE A 88 -10.124 2.960 -8.540 1.00 0.00 H new ATOM 0 HE1 PHE A 88 -10.241 -0.290 -12.231 1.00 0.00 H new ATOM 0 HE2 PHE A 88 -9.096 3.522 -10.701 1.00 0.00 H new ATOM 0 HZ PHE A 88 -9.154 1.898 -12.552 1.00 0.00 H new ATOM 1352 N GLY A 89 -13.701 -0.771 -6.007 1.00 0.00 N ATOM 1353 CA GLY A 89 -14.120 -1.989 -5.334 1.00 0.00 C ATOM 1354 C GLY A 89 -13.579 -2.097 -3.926 1.00 0.00 C ATOM 1355 O GLY A 89 -13.006 -1.145 -3.396 1.00 0.00 O ATOM 0 H GLY A 89 -13.705 0.066 -5.424 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -15.209 -2.026 -5.304 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -13.788 -2.851 -5.913 1.00 0.00 H new ATOM 1359 N TYR A 90 -13.761 -3.264 -3.323 1.00 0.00 N ATOM 1360 CA TYR A 90 -13.295 -3.511 -1.974 1.00 0.00 C ATOM 1361 C TYR A 90 -11.780 -3.691 -1.972 1.00 0.00 C ATOM 1362 O TYR A 90 -11.266 -4.744 -2.345 1.00 0.00 O ATOM 1363 CB TYR A 90 -13.997 -4.751 -1.425 1.00 0.00 C ATOM 1364 CG TYR A 90 -14.987 -4.448 -0.322 1.00 0.00 C ATOM 1365 CD1 TYR A 90 -16.245 -3.937 -0.618 1.00 0.00 C ATOM 1366 CD2 TYR A 90 -14.667 -4.670 1.011 1.00 0.00 C ATOM 1367 CE1 TYR A 90 -17.155 -3.656 0.384 1.00 0.00 C ATOM 1368 CE2 TYR A 90 -15.572 -4.393 2.018 1.00 0.00 C ATOM 1369 CZ TYR A 90 -16.813 -3.886 1.699 1.00 0.00 C ATOM 1370 OH TYR A 90 -17.716 -3.608 2.699 1.00 0.00 O ATOM 0 H TYR A 90 -14.233 -4.058 -3.755 1.00 0.00 H new ATOM 0 HA TYR A 90 -13.532 -2.660 -1.335 1.00 0.00 H new ATOM 0 HB2 TYR A 90 -14.517 -5.255 -2.240 1.00 0.00 H new ATOM 0 HB3 TYR A 90 -13.247 -5.446 -1.048 1.00 0.00 H new ATOM 0 HD1 TYR A 90 -16.516 -3.756 -1.648 1.00 0.00 H new ATOM 0 HD2 TYR A 90 -13.695 -5.066 1.265 1.00 0.00 H new ATOM 0 HE1 TYR A 90 -18.128 -3.258 0.138 1.00 0.00 H new ATOM 0 HE2 TYR A 90 -15.308 -4.573 3.050 1.00 0.00 H new ATOM 0 HH TYR A 90 -18.376 -4.331 2.754 1.00 0.00 H new ATOM 1380 N HIS A 91 -11.074 -2.633 -1.585 1.00 0.00 N ATOM 1381 CA HIS A 91 -9.615 -2.643 -1.571 1.00 0.00 C ATOM 1382 C HIS A 91 -9.041 -3.182 -0.263 1.00 0.00 C ATOM 1383 O HIS A 91 -9.749 -3.358 0.727 1.00 0.00 O ATOM 1384 CB HIS A 91 -9.086 -1.228 -1.810 1.00 0.00 C ATOM 1385 CG HIS A 91 -8.950 -0.873 -3.258 1.00 0.00 C ATOM 1386 ND1 HIS A 91 -8.130 -1.365 -4.217 1.00 0.00 N flip ATOM 1387 CD2 HIS A 91 -9.708 0.103 -3.868 1.00 0.00 C flip ATOM 1388 CE1 HIS A 91 -8.406 -0.682 -5.377 1.00 0.00 C flip ATOM 1389 NE2 HIS A 91 -9.362 0.197 -5.140 1.00 0.00 N flip ATOM 0 H HIS A 91 -11.491 -1.755 -1.276 1.00 0.00 H new ATOM 0 HA HIS A 91 -9.294 -3.312 -2.369 1.00 0.00 H new ATOM 0 HB2 HIS A 91 -9.756 -0.514 -1.331 1.00 0.00 H new ATOM 0 HB3 HIS A 91 -8.114 -1.127 -1.327 1.00 0.00 H new ATOM 0 HD1 HIS A 91 -7.437 -2.104 -4.100 1.00 0.00 H new ATOM 0 HD2 HIS A 91 -10.467 0.698 -3.382 1.00 0.00 H new ATOM 0 HE1 HIS A 91 -7.920 -0.839 -6.328 1.00 0.00 H new ATOM 1398 N VAL A 92 -7.733 -3.418 -0.288 1.00 0.00 N ATOM 1399 CA VAL A 92 -6.993 -3.914 0.867 1.00 0.00 C ATOM 1400 C VAL A 92 -5.584 -3.330 0.846 1.00 0.00 C ATOM 1401 O VAL A 92 -4.959 -3.260 -0.212 1.00 0.00 O ATOM 1402 CB VAL A 92 -6.906 -5.453 0.871 1.00 0.00 C ATOM 1403 CG1 VAL A 92 -6.258 -5.948 2.153 1.00 0.00 C ATOM 1404 CG2 VAL A 92 -8.287 -6.064 0.689 1.00 0.00 C ATOM 0 H VAL A 92 -7.154 -3.270 -1.114 1.00 0.00 H new ATOM 0 HA VAL A 92 -7.523 -3.605 1.768 1.00 0.00 H new ATOM 0 HB VAL A 92 -6.282 -5.767 0.034 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -6.205 -7.037 2.137 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -5.252 -5.537 2.234 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -6.851 -5.626 3.009 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -8.207 -7.151 0.694 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -8.937 -5.744 1.504 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -8.708 -5.736 -0.261 1.00 0.00 H new ATOM 1414 N ILE A 93 -5.094 -2.880 1.994 1.00 0.00 N ATOM 1415 CA ILE A 93 -3.765 -2.273 2.050 1.00 0.00 C ATOM 1416 C ILE A 93 -2.868 -2.921 3.102 1.00 0.00 C ATOM 1417 O ILE A 93 -3.191 -2.942 4.289 1.00 0.00 O ATOM 1418 CB ILE A 93 -3.855 -0.753 2.335 1.00 0.00 C ATOM 1419 CG1 ILE A 93 -5.292 -0.252 2.136 1.00 0.00 C ATOM 1420 CG2 ILE A 93 -2.889 0.016 1.438 1.00 0.00 C ATOM 1421 CD1 ILE A 93 -5.428 1.256 2.184 1.00 0.00 C ATOM 0 H ILE A 93 -5.585 -2.921 2.887 1.00 0.00 H new ATOM 0 HA ILE A 93 -3.319 -2.439 1.069 1.00 0.00 H new ATOM 0 HB ILE A 93 -3.573 -0.579 3.373 1.00 0.00 H new ATOM 0 HG12 ILE A 93 -5.661 -0.610 1.175 1.00 0.00 H new ATOM 0 HG13 ILE A 93 -5.929 -0.689 2.905 1.00 0.00 H new ATOM 0 HG21 ILE A 93 -2.965 1.082 1.651 1.00 0.00 H new ATOM 0 HG22 ILE A 93 -1.870 -0.320 1.628 1.00 0.00 H new ATOM 0 HG23 ILE A 93 -3.141 -0.164 0.393 1.00 0.00 H new ATOM 0 HD11 ILE A 93 -6.472 1.532 2.035 1.00 0.00 H new ATOM 0 HD12 ILE A 93 -5.091 1.621 3.154 1.00 0.00 H new ATOM 0 HD13 ILE A 93 -4.819 1.701 1.397 1.00 0.00 H new ATOM 1433 N LYS A 94 -1.721 -3.423 2.648 1.00 0.00 N ATOM 1434 CA LYS A 94 -0.739 -4.051 3.528 1.00 0.00 C ATOM 1435 C LYS A 94 0.635 -3.427 3.285 1.00 0.00 C ATOM 1436 O LYS A 94 1.223 -3.602 2.218 1.00 0.00 O ATOM 1437 CB LYS A 94 -0.694 -5.565 3.291 1.00 0.00 C ATOM 1438 CG LYS A 94 0.442 -6.268 4.019 1.00 0.00 C ATOM 1439 CD LYS A 94 0.297 -6.148 5.527 1.00 0.00 C ATOM 1440 CE LYS A 94 0.818 -7.387 6.238 1.00 0.00 C ATOM 1441 NZ LYS A 94 2.231 -7.682 5.872 1.00 0.00 N ATOM 0 H LYS A 94 -1.448 -3.406 1.665 1.00 0.00 H new ATOM 0 HA LYS A 94 -1.029 -3.882 4.565 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -1.641 -6.001 3.608 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -0.599 -5.753 2.222 1.00 0.00 H new ATOM 0 HG2 LYS A 94 0.460 -7.321 3.737 1.00 0.00 H new ATOM 0 HG3 LYS A 94 1.395 -5.839 3.709 1.00 0.00 H new ATOM 0 HD2 LYS A 94 0.841 -5.271 5.877 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -0.752 -5.995 5.782 1.00 0.00 H new ATOM 0 HE2 LYS A 94 0.744 -7.245 7.316 1.00 0.00 H new ATOM 0 HE3 LYS A 94 0.191 -8.242 5.985 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 2.609 -8.413 6.508 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 2.271 -8.023 4.890 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 2.801 -6.817 5.962 1.00 0.00 H new ATOM 1455 N ARG A 95 1.122 -2.665 4.261 1.00 0.00 N ATOM 1456 CA ARG A 95 2.403 -1.979 4.127 1.00 0.00 C ATOM 1457 C ARG A 95 3.545 -2.944 3.844 1.00 0.00 C ATOM 1458 O ARG A 95 3.680 -3.989 4.482 1.00 0.00 O ATOM 1459 CB ARG A 95 2.709 -1.164 5.384 1.00 0.00 C ATOM 1460 CG ARG A 95 3.095 0.278 5.093 1.00 0.00 C ATOM 1461 CD ARG A 95 4.591 0.498 5.251 1.00 0.00 C ATOM 1462 NE ARG A 95 4.929 1.913 5.373 1.00 0.00 N ATOM 1463 CZ ARG A 95 6.171 2.388 5.299 1.00 0.00 C ATOM 1464 NH1 ARG A 95 7.193 1.563 5.104 1.00 0.00 N ATOM 1465 NH2 ARG A 95 6.392 3.690 5.418 1.00 0.00 N ATOM 0 H ARG A 95 0.650 -2.508 5.151 1.00 0.00 H new ATOM 0 HA ARG A 95 2.318 -1.308 3.272 1.00 0.00 H new ATOM 0 HB2 ARG A 95 1.835 -1.173 6.035 1.00 0.00 H new ATOM 0 HB3 ARG A 95 3.519 -1.645 5.931 1.00 0.00 H new ATOM 0 HG2 ARG A 95 2.793 0.539 4.079 1.00 0.00 H new ATOM 0 HG3 ARG A 95 2.555 0.943 5.767 1.00 0.00 H new ATOM 0 HD2 ARG A 95 4.944 -0.036 6.133 1.00 0.00 H new ATOM 0 HD3 ARG A 95 5.112 0.074 4.392 1.00 0.00 H new ATOM 0 HE ARG A 95 4.169 2.577 5.524 1.00 0.00 H new ATOM 0 HH11 ARG A 95 7.029 0.561 5.010 1.00 0.00 H new ATOM 0 HH12 ARG A 95 8.142 1.932 5.048 1.00 0.00 H new ATOM 0 HH21 ARG A 95 5.610 4.328 5.566 1.00 0.00 H new ATOM 0 HH22 ARG A 95 7.344 4.053 5.361 1.00 0.00 H new ATOM 1479 N LEU A 96 4.367 -2.563 2.875 1.00 0.00 N ATOM 1480 CA LEU A 96 5.510 -3.333 2.465 1.00 0.00 C ATOM 1481 C LEU A 96 6.561 -2.406 1.858 1.00 0.00 C ATOM 1482 O LEU A 96 6.329 -1.763 0.834 1.00 0.00 O ATOM 1483 CB LEU A 96 5.081 -4.406 1.457 1.00 0.00 C ATOM 1484 CG LEU A 96 5.356 -4.092 -0.019 1.00 0.00 C ATOM 1485 CD1 LEU A 96 6.823 -4.318 -0.353 1.00 0.00 C ATOM 1486 CD2 LEU A 96 4.464 -4.933 -0.919 1.00 0.00 C ATOM 0 H LEU A 96 4.248 -1.696 2.351 1.00 0.00 H new ATOM 0 HA LEU A 96 5.945 -3.831 3.331 1.00 0.00 H new ATOM 0 HB2 LEU A 96 5.588 -5.337 1.710 1.00 0.00 H new ATOM 0 HB3 LEU A 96 4.012 -4.582 1.577 1.00 0.00 H new ATOM 0 HG LEU A 96 5.126 -3.041 -0.194 1.00 0.00 H new ATOM 0 HD11 LEU A 96 6.996 -4.089 -1.405 1.00 0.00 H new ATOM 0 HD12 LEU A 96 7.441 -3.668 0.266 1.00 0.00 H new ATOM 0 HD13 LEU A 96 7.084 -5.359 -0.160 1.00 0.00 H new ATOM 0 HD21 LEU A 96 4.673 -4.696 -1.962 1.00 0.00 H new ATOM 0 HD22 LEU A 96 4.660 -5.990 -0.740 1.00 0.00 H new ATOM 0 HD23 LEU A 96 3.418 -4.716 -0.700 1.00 0.00 H new ATOM 1498 N GLY A 97 7.705 -2.336 2.503 1.00 0.00 N ATOM 1499 CA GLY A 97 8.777 -1.491 2.022 1.00 0.00 C ATOM 1500 C GLY A 97 10.135 -1.922 2.542 1.00 0.00 C ATOM 1501 O GLY A 97 10.900 -2.537 1.769 1.00 0.00 O ATOM 1502 OXT GLY A 97 10.434 -1.643 3.722 1.00 0.00 O ATOM 0 H GLY A 97 7.917 -2.851 3.358 1.00 0.00 H new ATOM 0 HA2 GLY A 97 8.787 -1.508 0.932 1.00 0.00 H new ATOM 0 HA3 GLY A 97 8.586 -0.461 2.323 1.00 0.00 H new