USER MOD reduce.3.24.130724 H: found=0, std=0, add=710, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 711 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 41 LYS NZ :NH3+ -176:sc= 0.129 (180deg=0) USER MOD Set 1.2: A 76 TYR OH : rot 80:sc= -0.134 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 GLN : amide:sc= -0.247 K(o=-0.25,f=-3.2!) USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 ASN : amide:sc= -1.66 K(o=-1.7,f=-3.3!) USER MOD Single : A 23 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.0497) USER MOD Single : A 26 CYS SG : rot 180:sc= -0.528 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 CYS SG : rot -26:sc= -1.12 USER MOD Single : A 32 SER OG : rot 180:sc= -0.56 USER MOD Single : A 34 ASN : amide:sc= -0.838 K(o=-0.84,f=-7.4!) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 THR OG1 : rot 180:sc= -0.198 USER MOD Single : A 42 ASN : amide:sc= 0 X(o=0,f=-0.16) USER MOD Single : A 47 GLN : amide:sc= -0.214 X(o=-0.21,f=0) USER MOD Single : A 49 SER OG : rot 5:sc= 0.499 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 GLN : amide:sc= 0.00771 K(o=0.0077,f=-1.4) USER MOD Single : A 57 LYS NZ :NH3+ -156:sc= -0.0626 (180deg=-0.412) USER MOD Single : A 61 HIS : no HE2:sc= -2.37 X(o=-2.4,f=-2) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 ASN : amide:sc= -0.0221 X(o=-0.022,f=0) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 83 TYR OH : rot -12:sc= -0.117 USER MOD Single : A 84 ASN : amide:sc= -0.463 K(o=-0.46,f=-3.4!) USER MOD Single : A 86 THR OG1 : rot 27:sc= 0.146 USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 HIS : no HD1:sc= -0.0532 X(o=-0.053,f=-0.053) USER MOD ----------------------------------------------------------------- ATOM 66 N LEU A 8 -13.610 -2.605 12.793 1.00 0.00 N ATOM 67 CA LEU A 8 -12.316 -3.053 12.288 1.00 0.00 C ATOM 68 C LEU A 8 -11.175 -2.415 13.073 1.00 0.00 C ATOM 69 O LEU A 8 -11.237 -1.240 13.437 1.00 0.00 O ATOM 70 CB LEU A 8 -12.181 -2.713 10.803 1.00 0.00 C ATOM 71 CG LEU A 8 -10.832 -3.038 10.160 1.00 0.00 C ATOM 72 CD1 LEU A 8 -10.574 -4.537 10.189 1.00 0.00 C ATOM 73 CD2 LEU A 8 -10.780 -2.513 8.733 1.00 0.00 C ATOM 0 HA LEU A 8 -12.259 -4.134 12.414 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -12.959 -3.246 10.257 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -12.374 -1.648 10.676 1.00 0.00 H new ATOM 0 HG LEU A 8 -10.049 -2.544 10.735 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -9.610 -4.749 9.727 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -10.566 -4.885 11.222 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -11.361 -5.052 9.639 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -9.813 -2.754 8.292 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -11.572 -2.977 8.146 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -10.918 -1.432 8.738 1.00 0.00 H new ATOM 85 N LYS A 9 -10.131 -3.197 13.331 1.00 0.00 N ATOM 86 CA LYS A 9 -8.973 -2.709 14.070 1.00 0.00 C ATOM 87 C LYS A 9 -7.679 -3.038 13.332 1.00 0.00 C ATOM 88 O LYS A 9 -7.405 -4.200 13.029 1.00 0.00 O ATOM 89 CB LYS A 9 -8.943 -3.320 15.472 1.00 0.00 C ATOM 90 CG LYS A 9 -8.297 -2.422 16.513 1.00 0.00 C ATOM 91 CD LYS A 9 -9.221 -1.286 16.919 1.00 0.00 C ATOM 92 CE LYS A 9 -8.475 -0.213 17.698 1.00 0.00 C ATOM 93 NZ LYS A 9 -9.406 0.682 18.440 1.00 0.00 N ATOM 0 H LYS A 9 -10.064 -4.172 13.039 1.00 0.00 H new ATOM 0 HA LYS A 9 -9.057 -1.626 14.155 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -9.963 -3.547 15.782 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -8.403 -4.266 15.435 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -8.036 -3.012 17.392 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -7.368 -2.013 16.116 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -9.670 -0.845 16.029 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -10.036 -1.678 17.527 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -7.788 -0.685 18.400 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -7.871 0.380 17.012 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -8.859 1.399 18.958 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -10.045 1.152 17.768 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -9.965 0.120 19.113 1.00 0.00 H new ATOM 107 N ILE A 10 -6.887 -2.010 13.048 1.00 0.00 N ATOM 108 CA ILE A 10 -5.621 -2.191 12.349 1.00 0.00 C ATOM 109 C ILE A 10 -4.534 -2.683 13.299 1.00 0.00 C ATOM 110 O ILE A 10 -3.878 -1.888 13.974 1.00 0.00 O ATOM 111 CB ILE A 10 -5.153 -0.884 11.684 1.00 0.00 C ATOM 112 CG1 ILE A 10 -6.222 -0.366 10.719 1.00 0.00 C ATOM 113 CG2 ILE A 10 -3.835 -1.103 10.955 1.00 0.00 C ATOM 114 CD1 ILE A 10 -7.217 0.572 11.367 1.00 0.00 C ATOM 0 H ILE A 10 -7.100 -1.043 13.291 1.00 0.00 H new ATOM 0 HA ILE A 10 -5.792 -2.941 11.576 1.00 0.00 H new ATOM 0 HB ILE A 10 -4.997 -0.135 12.460 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -5.734 0.150 9.892 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -6.758 -1.214 10.294 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -3.517 -0.170 10.490 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -3.076 -1.431 11.666 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -3.966 -1.865 10.187 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -7.945 0.900 10.625 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -7.732 0.054 12.176 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -6.692 1.439 11.768 1.00 0.00 H new ATOM 126 N LEU A 11 -4.346 -3.997 13.345 1.00 0.00 N ATOM 127 CA LEU A 11 -3.336 -4.596 14.211 1.00 0.00 C ATOM 128 C LEU A 11 -1.937 -4.142 13.810 1.00 0.00 C ATOM 129 O LEU A 11 -1.138 -3.732 14.653 1.00 0.00 O ATOM 130 CB LEU A 11 -3.427 -6.121 14.154 1.00 0.00 C ATOM 131 CG LEU A 11 -4.812 -6.721 14.399 1.00 0.00 C ATOM 132 CD1 LEU A 11 -4.781 -8.230 14.212 1.00 0.00 C ATOM 133 CD2 LEU A 11 -5.309 -6.365 15.792 1.00 0.00 C ATOM 0 H LEU A 11 -4.880 -4.668 12.793 1.00 0.00 H new ATOM 0 HA LEU A 11 -3.526 -4.266 15.232 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -3.079 -6.449 13.175 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -2.739 -6.534 14.892 1.00 0.00 H new ATOM 0 HG LEU A 11 -5.503 -6.299 13.669 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -5.775 -8.639 14.390 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -4.470 -8.464 13.194 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -4.076 -8.670 14.917 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -6.296 -6.800 15.949 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -4.617 -6.758 16.537 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -5.371 -5.281 15.890 1.00 0.00 H new ATOM 145 N THR A 12 -1.645 -4.217 12.515 1.00 0.00 N ATOM 146 CA THR A 12 -0.342 -3.814 12.000 1.00 0.00 C ATOM 147 C THR A 12 -0.487 -2.812 10.860 1.00 0.00 C ATOM 148 O THR A 12 -0.570 -3.178 9.688 1.00 0.00 O ATOM 149 CB THR A 12 0.466 -5.027 11.503 1.00 0.00 C ATOM 150 OG1 THR A 12 0.577 -6.003 12.545 1.00 0.00 O ATOM 151 CG2 THR A 12 1.854 -4.604 11.048 1.00 0.00 C ATOM 0 H THR A 12 -2.294 -4.553 11.803 1.00 0.00 H new ATOM 0 HA THR A 12 0.193 -3.345 12.826 1.00 0.00 H new ATOM 0 HB THR A 12 -0.061 -5.462 10.653 1.00 0.00 H new ATOM 0 HG1 THR A 12 1.091 -6.772 12.220 1.00 0.00 H new ATOM 0 HG21 THR A 12 2.405 -5.478 10.701 1.00 0.00 H new ATOM 0 HG22 THR A 12 1.766 -3.884 10.234 1.00 0.00 H new ATOM 0 HG23 THR A 12 2.386 -4.146 11.882 1.00 0.00 H new ATOM 159 N PRO A 13 -0.518 -1.518 11.209 1.00 0.00 N ATOM 160 CA PRO A 13 -0.652 -0.437 10.229 1.00 0.00 C ATOM 161 C PRO A 13 0.597 -0.276 9.369 1.00 0.00 C ATOM 162 O PRO A 13 1.700 -0.632 9.786 1.00 0.00 O ATOM 163 CB PRO A 13 -0.867 0.806 11.097 1.00 0.00 C ATOM 164 CG PRO A 13 -0.231 0.470 12.402 1.00 0.00 C ATOM 165 CD PRO A 13 -0.425 -1.010 12.588 1.00 0.00 C ATOM 0 HA PRO A 13 -1.461 -0.626 9.523 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -0.408 1.687 10.648 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -1.928 1.026 11.218 1.00 0.00 H new ATOM 0 HG2 PRO A 13 0.828 0.727 12.398 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -0.692 1.029 13.216 1.00 0.00 H new ATOM 0 HD2 PRO A 13 0.409 -1.460 13.127 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -1.328 -1.228 13.158 1.00 0.00 H new ATOM 173 N LEU A 14 0.417 0.262 8.168 1.00 0.00 N ATOM 174 CA LEU A 14 1.531 0.471 7.248 1.00 0.00 C ATOM 175 C LEU A 14 2.576 1.398 7.860 1.00 0.00 C ATOM 176 O LEU A 14 2.242 2.440 8.426 1.00 0.00 O ATOM 177 CB LEU A 14 1.026 1.054 5.928 1.00 0.00 C ATOM 178 CG LEU A 14 -0.062 0.251 5.212 1.00 0.00 C ATOM 179 CD1 LEU A 14 -0.962 1.174 4.405 1.00 0.00 C ATOM 180 CD2 LEU A 14 0.561 -0.809 4.315 1.00 0.00 C ATOM 0 H LEU A 14 -0.489 0.562 7.808 1.00 0.00 H new ATOM 0 HA LEU A 14 1.997 -0.495 7.056 1.00 0.00 H new ATOM 0 HB2 LEU A 14 0.643 2.056 6.119 1.00 0.00 H new ATOM 0 HB3 LEU A 14 1.875 1.161 5.253 1.00 0.00 H new ATOM 0 HG LEU A 14 -0.671 -0.251 5.964 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -1.730 0.586 3.903 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -1.435 1.895 5.072 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -0.367 1.704 3.662 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -0.227 -1.371 3.814 1.00 0.00 H new ATOM 0 HD22 LEU A 14 1.194 -0.328 3.569 1.00 0.00 H new ATOM 0 HD23 LEU A 14 1.163 -1.488 4.919 1.00 0.00 H new ATOM 192 N THR A 15 3.843 1.014 7.742 1.00 0.00 N ATOM 193 CA THR A 15 4.937 1.812 8.282 1.00 0.00 C ATOM 194 C THR A 15 5.740 2.470 7.166 1.00 0.00 C ATOM 195 O THR A 15 5.653 2.069 6.006 1.00 0.00 O ATOM 196 CB THR A 15 5.884 0.956 9.144 1.00 0.00 C ATOM 197 OG1 THR A 15 6.328 -0.184 8.399 1.00 0.00 O ATOM 198 CG2 THR A 15 5.190 0.497 10.417 1.00 0.00 C ATOM 0 H THR A 15 4.137 0.155 7.277 1.00 0.00 H new ATOM 0 HA THR A 15 4.487 2.584 8.906 1.00 0.00 H new ATOM 0 HB THR A 15 6.743 1.568 9.418 1.00 0.00 H new ATOM 0 HG1 THR A 15 6.931 -0.722 8.953 1.00 0.00 H new ATOM 0 HG21 THR A 15 5.878 -0.106 11.010 1.00 0.00 H new ATOM 0 HG22 THR A 15 4.879 1.367 10.996 1.00 0.00 H new ATOM 0 HG23 THR A 15 4.315 -0.099 10.159 1.00 0.00 H new ATOM 206 N ASP A 16 6.522 3.483 7.525 1.00 0.00 N ATOM 207 CA ASP A 16 7.342 4.197 6.554 1.00 0.00 C ATOM 208 C ASP A 16 8.477 3.312 6.046 1.00 0.00 C ATOM 209 O ASP A 16 9.120 2.606 6.823 1.00 0.00 O ATOM 210 CB ASP A 16 7.913 5.472 7.175 1.00 0.00 C ATOM 211 CG ASP A 16 8.657 5.203 8.468 1.00 0.00 C ATOM 212 OD1 ASP A 16 8.041 4.651 9.404 1.00 0.00 O ATOM 213 OD2 ASP A 16 9.856 5.544 8.544 1.00 0.00 O ATOM 0 H ASP A 16 6.605 3.828 8.481 1.00 0.00 H new ATOM 0 HA ASP A 16 6.708 4.466 5.709 1.00 0.00 H new ATOM 0 HB2 ASP A 16 8.587 5.949 6.464 1.00 0.00 H new ATOM 0 HB3 ASP A 16 7.102 6.175 7.365 1.00 0.00 H new ATOM 218 N GLN A 17 8.715 3.355 4.739 1.00 0.00 N ATOM 219 CA GLN A 17 9.771 2.556 4.129 1.00 0.00 C ATOM 220 C GLN A 17 10.573 3.384 3.131 1.00 0.00 C ATOM 221 O GLN A 17 10.007 4.108 2.311 1.00 0.00 O ATOM 222 CB GLN A 17 9.174 1.332 3.432 1.00 0.00 C ATOM 223 CG GLN A 17 8.384 0.426 4.362 1.00 0.00 C ATOM 224 CD GLN A 17 9.276 -0.417 5.252 1.00 0.00 C ATOM 225 OE1 GLN A 17 10.464 -0.134 5.407 1.00 0.00 O ATOM 226 NE2 GLN A 17 8.706 -1.461 5.843 1.00 0.00 N ATOM 0 H GLN A 17 8.191 3.934 4.083 1.00 0.00 H new ATOM 0 HA GLN A 17 10.444 2.223 4.920 1.00 0.00 H new ATOM 0 HB2 GLN A 17 8.523 1.666 2.624 1.00 0.00 H new ATOM 0 HB3 GLN A 17 9.979 0.756 2.975 1.00 0.00 H new ATOM 0 HG2 GLN A 17 7.727 1.034 4.984 1.00 0.00 H new ATOM 0 HG3 GLN A 17 7.745 -0.229 3.769 1.00 0.00 H new ATOM 0 HE21 GLN A 17 7.718 -1.659 5.687 1.00 0.00 H new ATOM 0 HE22 GLN A 17 9.257 -2.065 6.453 1.00 0.00 H new ATOM 235 N THR A 18 11.896 3.274 3.205 1.00 0.00 N ATOM 236 CA THR A 18 12.776 4.013 2.310 1.00 0.00 C ATOM 237 C THR A 18 13.708 3.073 1.555 1.00 0.00 C ATOM 238 O THR A 18 14.358 2.215 2.152 1.00 0.00 O ATOM 239 CB THR A 18 13.620 5.047 3.079 1.00 0.00 C ATOM 240 OG1 THR A 18 12.765 5.922 3.822 1.00 0.00 O ATOM 241 CG2 THR A 18 14.481 5.861 2.124 1.00 0.00 C ATOM 0 H THR A 18 12.381 2.679 3.877 1.00 0.00 H new ATOM 0 HA THR A 18 12.136 4.535 1.598 1.00 0.00 H new ATOM 0 HB THR A 18 14.275 4.510 3.766 1.00 0.00 H new ATOM 0 HG1 THR A 18 13.309 6.575 4.309 1.00 0.00 H new ATOM 0 HG21 THR A 18 15.068 6.584 2.690 1.00 0.00 H new ATOM 0 HG22 THR A 18 15.152 5.195 1.581 1.00 0.00 H new ATOM 0 HG23 THR A 18 13.841 6.388 1.416 1.00 0.00 H new ATOM 249 N VAL A 19 13.770 3.240 0.237 1.00 0.00 N ATOM 250 CA VAL A 19 14.625 2.406 -0.599 1.00 0.00 C ATOM 251 C VAL A 19 15.152 3.189 -1.797 1.00 0.00 C ATOM 252 O VAL A 19 14.445 4.014 -2.373 1.00 0.00 O ATOM 253 CB VAL A 19 13.874 1.160 -1.105 1.00 0.00 C ATOM 254 CG1 VAL A 19 13.451 0.282 0.063 1.00 0.00 C ATOM 255 CG2 VAL A 19 12.669 1.567 -1.940 1.00 0.00 C ATOM 0 H VAL A 19 13.239 3.945 -0.274 1.00 0.00 H new ATOM 0 HA VAL A 19 15.462 2.088 0.022 1.00 0.00 H new ATOM 0 HB VAL A 19 14.548 0.583 -1.738 1.00 0.00 H new ATOM 0 HG11 VAL A 19 12.922 -0.594 -0.313 1.00 0.00 H new ATOM 0 HG12 VAL A 19 14.334 -0.038 0.616 1.00 0.00 H new ATOM 0 HG13 VAL A 19 12.794 0.847 0.724 1.00 0.00 H new ATOM 0 HG21 VAL A 19 12.150 0.674 -2.289 1.00 0.00 H new ATOM 0 HG22 VAL A 19 11.991 2.166 -1.332 1.00 0.00 H new ATOM 0 HG23 VAL A 19 13.001 2.152 -2.797 1.00 0.00 H new ATOM 265 N ASN A 20 16.401 2.923 -2.168 1.00 0.00 N ATOM 266 CA ASN A 20 17.024 3.602 -3.298 1.00 0.00 C ATOM 267 C ASN A 20 16.268 3.313 -4.591 1.00 0.00 C ATOM 268 O ASN A 20 15.633 2.266 -4.731 1.00 0.00 O ATOM 269 CB ASN A 20 18.484 3.167 -3.439 1.00 0.00 C ATOM 270 CG ASN A 20 19.005 3.343 -4.852 1.00 0.00 C ATOM 271 OD1 ASN A 20 18.827 2.473 -5.705 1.00 0.00 O ATOM 272 ND2 ASN A 20 19.654 4.473 -5.107 1.00 0.00 N ATOM 0 H ASN A 20 17.001 2.242 -1.702 1.00 0.00 H new ATOM 0 HA ASN A 20 16.988 4.675 -3.110 1.00 0.00 H new ATOM 0 HB2 ASN A 20 19.101 3.746 -2.752 1.00 0.00 H new ATOM 0 HB3 ASN A 20 18.579 2.121 -3.147 1.00 0.00 H new ATOM 0 HD21 ASN A 20 20.028 4.647 -6.040 1.00 0.00 H new ATOM 0 HD22 ASN A 20 19.779 5.167 -4.370 1.00 0.00 H new ATOM 279 N LEU A 21 16.340 4.246 -5.534 1.00 0.00 N ATOM 280 CA LEU A 21 15.663 4.091 -6.817 1.00 0.00 C ATOM 281 C LEU A 21 15.989 2.740 -7.445 1.00 0.00 C ATOM 282 O LEU A 21 17.144 2.316 -7.466 1.00 0.00 O ATOM 283 CB LEU A 21 16.067 5.219 -7.768 1.00 0.00 C ATOM 284 CG LEU A 21 15.026 5.620 -8.813 1.00 0.00 C ATOM 285 CD1 LEU A 21 15.281 7.037 -9.305 1.00 0.00 C ATOM 286 CD2 LEU A 21 15.033 4.640 -9.977 1.00 0.00 C ATOM 0 H LEU A 21 16.860 5.118 -5.434 1.00 0.00 H new ATOM 0 HA LEU A 21 14.588 4.139 -6.641 1.00 0.00 H new ATOM 0 HB2 LEU A 21 16.313 6.099 -7.173 1.00 0.00 H new ATOM 0 HB3 LEU A 21 16.978 4.921 -8.287 1.00 0.00 H new ATOM 0 HG LEU A 21 14.042 5.591 -8.346 1.00 0.00 H new ATOM 0 HD11 LEU A 21 14.530 7.305 -10.048 1.00 0.00 H new ATOM 0 HD12 LEU A 21 15.224 7.730 -8.465 1.00 0.00 H new ATOM 0 HD13 LEU A 21 16.272 7.093 -9.754 1.00 0.00 H new ATOM 0 HD21 LEU A 21 14.286 4.941 -10.711 1.00 0.00 H new ATOM 0 HD22 LEU A 21 16.018 4.636 -10.443 1.00 0.00 H new ATOM 0 HD23 LEU A 21 14.800 3.640 -9.612 1.00 0.00 H new ATOM 298 N GLY A 22 14.962 2.069 -7.958 1.00 0.00 N ATOM 299 CA GLY A 22 15.161 0.773 -8.582 1.00 0.00 C ATOM 300 C GLY A 22 14.893 -0.376 -7.631 1.00 0.00 C ATOM 301 O GLY A 22 14.484 -1.458 -8.052 1.00 0.00 O ATOM 0 H GLY A 22 13.997 2.399 -7.953 1.00 0.00 H new ATOM 0 HA2 GLY A 22 14.504 0.685 -9.447 1.00 0.00 H new ATOM 0 HA3 GLY A 22 16.184 0.704 -8.951 1.00 0.00 H new ATOM 305 N LYS A 23 15.125 -0.142 -6.343 1.00 0.00 N ATOM 306 CA LYS A 23 14.907 -1.166 -5.328 1.00 0.00 C ATOM 307 C LYS A 23 13.487 -1.717 -5.408 1.00 0.00 C ATOM 308 O LYS A 23 12.609 -1.109 -6.020 1.00 0.00 O ATOM 309 CB LYS A 23 15.165 -0.592 -3.933 1.00 0.00 C ATOM 310 CG LYS A 23 16.637 -0.385 -3.623 1.00 0.00 C ATOM 311 CD LYS A 23 17.318 -1.691 -3.250 1.00 0.00 C ATOM 312 CE LYS A 23 18.829 -1.533 -3.184 1.00 0.00 C ATOM 313 NZ LYS A 23 19.435 -1.427 -4.540 1.00 0.00 N ATOM 0 H LYS A 23 15.464 0.748 -5.978 1.00 0.00 H new ATOM 0 HA LYS A 23 15.605 -1.982 -5.514 1.00 0.00 H new ATOM 0 HB2 LYS A 23 14.645 0.362 -3.840 1.00 0.00 H new ATOM 0 HB3 LYS A 23 14.736 -1.263 -3.188 1.00 0.00 H new ATOM 0 HG2 LYS A 23 17.134 0.051 -4.489 1.00 0.00 H new ATOM 0 HG3 LYS A 23 16.741 0.327 -2.804 1.00 0.00 H new ATOM 0 HD2 LYS A 23 16.945 -2.035 -2.285 1.00 0.00 H new ATOM 0 HD3 LYS A 23 17.063 -2.457 -3.982 1.00 0.00 H new ATOM 0 HE2 LYS A 23 19.076 -0.643 -2.605 1.00 0.00 H new ATOM 0 HE3 LYS A 23 19.261 -2.385 -2.659 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 20.470 -1.491 -4.464 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 19.083 -2.201 -5.139 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 19.175 -0.515 -4.966 1.00 0.00 H new ATOM 327 N GLU A 24 13.269 -2.871 -4.785 1.00 0.00 N ATOM 328 CA GLU A 24 11.955 -3.503 -4.786 1.00 0.00 C ATOM 329 C GLU A 24 11.192 -3.174 -3.506 1.00 0.00 C ATOM 330 O GLU A 24 11.397 -3.806 -2.469 1.00 0.00 O ATOM 331 CB GLU A 24 12.094 -5.020 -4.934 1.00 0.00 C ATOM 332 CG GLU A 24 10.764 -5.755 -4.945 1.00 0.00 C ATOM 333 CD GLU A 24 10.880 -7.163 -5.496 1.00 0.00 C ATOM 334 OE1 GLU A 24 11.680 -7.950 -4.948 1.00 0.00 O ATOM 335 OE2 GLU A 24 10.172 -7.477 -6.475 1.00 0.00 O ATOM 0 H GLU A 24 13.985 -3.387 -4.273 1.00 0.00 H new ATOM 0 HA GLU A 24 11.393 -3.112 -5.634 1.00 0.00 H new ATOM 0 HB2 GLU A 24 12.628 -5.239 -5.859 1.00 0.00 H new ATOM 0 HB3 GLU A 24 12.704 -5.402 -4.115 1.00 0.00 H new ATOM 0 HG2 GLU A 24 10.368 -5.797 -3.930 1.00 0.00 H new ATOM 0 HG3 GLU A 24 10.047 -5.193 -5.543 1.00 0.00 H new ATOM 342 N ILE A 25 10.313 -2.181 -3.588 1.00 0.00 N ATOM 343 CA ILE A 25 9.519 -1.768 -2.437 1.00 0.00 C ATOM 344 C ILE A 25 8.532 -2.857 -2.031 1.00 0.00 C ATOM 345 O ILE A 25 7.974 -3.553 -2.881 1.00 0.00 O ATOM 346 CB ILE A 25 8.743 -0.469 -2.725 1.00 0.00 C ATOM 347 CG1 ILE A 25 9.707 0.645 -3.140 1.00 0.00 C ATOM 348 CG2 ILE A 25 7.936 -0.052 -1.505 1.00 0.00 C ATOM 349 CD1 ILE A 25 9.093 1.654 -4.084 1.00 0.00 C ATOM 0 H ILE A 25 10.133 -1.648 -4.439 1.00 0.00 H new ATOM 0 HA ILE A 25 10.217 -1.591 -1.619 1.00 0.00 H new ATOM 0 HB ILE A 25 8.052 -0.651 -3.548 1.00 0.00 H new ATOM 0 HG12 ILE A 25 10.058 1.162 -2.247 1.00 0.00 H new ATOM 0 HG13 ILE A 25 10.581 0.200 -3.615 1.00 0.00 H new ATOM 0 HG21 ILE A 25 7.393 0.868 -1.725 1.00 0.00 H new ATOM 0 HG22 ILE A 25 7.227 -0.840 -1.251 1.00 0.00 H new ATOM 0 HG23 ILE A 25 8.609 0.116 -0.664 1.00 0.00 H new ATOM 0 HD11 ILE A 25 9.833 2.414 -4.336 1.00 0.00 H new ATOM 0 HD12 ILE A 25 8.767 1.150 -4.994 1.00 0.00 H new ATOM 0 HD13 ILE A 25 8.236 2.127 -3.604 1.00 0.00 H new ATOM 361 N CYS A 26 8.319 -2.999 -0.727 1.00 0.00 N ATOM 362 CA CYS A 26 7.398 -4.003 -0.207 1.00 0.00 C ATOM 363 C CYS A 26 6.721 -3.512 1.068 1.00 0.00 C ATOM 364 O CYS A 26 7.389 -3.144 2.036 1.00 0.00 O ATOM 365 CB CYS A 26 8.139 -5.313 0.066 1.00 0.00 C ATOM 366 SG CYS A 26 7.265 -6.437 1.179 1.00 0.00 S ATOM 0 H CYS A 26 8.772 -2.431 -0.011 1.00 0.00 H new ATOM 0 HA CYS A 26 6.629 -4.179 -0.960 1.00 0.00 H new ATOM 0 HB2 CYS A 26 8.316 -5.822 -0.881 1.00 0.00 H new ATOM 0 HB3 CYS A 26 9.116 -5.084 0.492 1.00 0.00 H new ATOM 0 HG CYS A 26 7.970 -7.517 1.347 1.00 0.00 H new ATOM 372 N LEU A 27 5.393 -3.507 1.063 1.00 0.00 N ATOM 373 CA LEU A 27 4.625 -3.059 2.219 1.00 0.00 C ATOM 374 C LEU A 27 3.610 -4.117 2.642 1.00 0.00 C ATOM 375 O LEU A 27 2.965 -4.745 1.802 1.00 0.00 O ATOM 376 CB LEU A 27 3.907 -1.746 1.902 1.00 0.00 C ATOM 377 CG LEU A 27 4.804 -0.561 1.542 1.00 0.00 C ATOM 378 CD1 LEU A 27 4.026 0.473 0.743 1.00 0.00 C ATOM 379 CD2 LEU A 27 5.389 0.065 2.800 1.00 0.00 C ATOM 0 H LEU A 27 4.825 -3.808 0.271 1.00 0.00 H new ATOM 0 HA LEU A 27 5.319 -2.897 3.044 1.00 0.00 H new ATOM 0 HB2 LEU A 27 3.220 -1.921 1.074 1.00 0.00 H new ATOM 0 HB3 LEU A 27 3.301 -1.469 2.765 1.00 0.00 H new ATOM 0 HG LEU A 27 5.625 -0.925 0.925 1.00 0.00 H new ATOM 0 HD11 LEU A 27 4.680 1.309 0.496 1.00 0.00 H new ATOM 0 HD12 LEU A 27 3.654 0.019 -0.176 1.00 0.00 H new ATOM 0 HD13 LEU A 27 3.185 0.833 1.336 1.00 0.00 H new ATOM 0 HD21 LEU A 27 6.025 0.907 2.526 1.00 0.00 H new ATOM 0 HD22 LEU A 27 4.581 0.415 3.442 1.00 0.00 H new ATOM 0 HD23 LEU A 27 5.981 -0.678 3.335 1.00 0.00 H new ATOM 391 N LYS A 28 3.474 -4.309 3.950 1.00 0.00 N ATOM 392 CA LYS A 28 2.535 -5.288 4.486 1.00 0.00 C ATOM 393 C LYS A 28 1.759 -4.708 5.664 1.00 0.00 C ATOM 394 O LYS A 28 2.304 -3.948 6.466 1.00 0.00 O ATOM 395 CB LYS A 28 3.280 -6.551 4.924 1.00 0.00 C ATOM 396 CG LYS A 28 2.374 -7.616 5.516 1.00 0.00 C ATOM 397 CD LYS A 28 3.048 -8.978 5.530 1.00 0.00 C ATOM 398 CE LYS A 28 4.052 -9.091 6.667 1.00 0.00 C ATOM 399 NZ LYS A 28 4.371 -10.510 6.985 1.00 0.00 N ATOM 0 H LYS A 28 4.002 -3.800 4.658 1.00 0.00 H new ATOM 0 HA LYS A 28 1.827 -5.546 3.699 1.00 0.00 H new ATOM 0 HB2 LYS A 28 3.806 -6.969 4.065 1.00 0.00 H new ATOM 0 HB3 LYS A 28 4.037 -6.280 5.660 1.00 0.00 H new ATOM 0 HG2 LYS A 28 2.098 -7.336 6.532 1.00 0.00 H new ATOM 0 HG3 LYS A 28 1.451 -7.672 4.939 1.00 0.00 H new ATOM 0 HD2 LYS A 28 2.293 -9.758 5.631 1.00 0.00 H new ATOM 0 HD3 LYS A 28 3.553 -9.145 4.579 1.00 0.00 H new ATOM 0 HE2 LYS A 28 4.967 -8.565 6.397 1.00 0.00 H new ATOM 0 HE3 LYS A 28 3.652 -8.601 7.555 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 5.058 -10.545 7.765 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 3.502 -11.006 7.267 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 4.776 -10.971 6.146 1.00 0.00 H new ATOM 413 N CYS A 29 0.485 -5.072 5.763 1.00 0.00 N ATOM 414 CA CYS A 29 -0.367 -4.588 6.844 1.00 0.00 C ATOM 415 C CYS A 29 -1.403 -5.639 7.231 1.00 0.00 C ATOM 416 O CYS A 29 -1.937 -6.342 6.374 1.00 0.00 O ATOM 417 CB CYS A 29 -1.066 -3.293 6.429 1.00 0.00 C ATOM 418 SG CYS A 29 -1.880 -3.377 4.817 1.00 0.00 S ATOM 0 H CYS A 29 0.019 -5.700 5.108 1.00 0.00 H new ATOM 0 HA CYS A 29 0.264 -4.390 7.711 1.00 0.00 H new ATOM 0 HB2 CYS A 29 -1.807 -3.034 7.185 1.00 0.00 H new ATOM 0 HB3 CYS A 29 -0.333 -2.486 6.412 1.00 0.00 H new ATOM 0 HG CYS A 29 -1.286 -4.266 4.077 1.00 0.00 H new ATOM 424 N GLU A 30 -1.680 -5.740 8.527 1.00 0.00 N ATOM 425 CA GLU A 30 -2.650 -6.706 9.027 1.00 0.00 C ATOM 426 C GLU A 30 -3.900 -6.003 9.549 1.00 0.00 C ATOM 427 O GLU A 30 -3.844 -4.846 9.969 1.00 0.00 O ATOM 428 CB GLU A 30 -2.030 -7.558 10.137 1.00 0.00 C ATOM 429 CG GLU A 30 -2.761 -8.867 10.381 1.00 0.00 C ATOM 430 CD GLU A 30 -1.986 -9.810 11.281 1.00 0.00 C ATOM 431 OE1 GLU A 30 -2.041 -9.632 12.515 1.00 0.00 O ATOM 432 OE2 GLU A 30 -1.323 -10.725 10.749 1.00 0.00 O ATOM 0 H GLU A 30 -1.246 -5.165 9.249 1.00 0.00 H new ATOM 0 HA GLU A 30 -2.938 -7.354 8.199 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -0.993 -7.773 9.881 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -2.017 -6.981 11.062 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -3.732 -8.658 10.830 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -2.950 -9.356 9.426 1.00 0.00 H new ATOM 439 N ILE A 31 -5.025 -6.709 9.519 1.00 0.00 N ATOM 440 CA ILE A 31 -6.288 -6.153 9.990 1.00 0.00 C ATOM 441 C ILE A 31 -7.141 -7.221 10.665 1.00 0.00 C ATOM 442 O ILE A 31 -7.039 -8.405 10.345 1.00 0.00 O ATOM 443 CB ILE A 31 -7.090 -5.524 8.835 1.00 0.00 C ATOM 444 CG1 ILE A 31 -7.286 -6.541 7.709 1.00 0.00 C ATOM 445 CG2 ILE A 31 -6.386 -4.279 8.316 1.00 0.00 C ATOM 446 CD1 ILE A 31 -8.257 -6.083 6.643 1.00 0.00 C ATOM 0 H ILE A 31 -5.088 -7.667 9.174 1.00 0.00 H new ATOM 0 HA ILE A 31 -6.042 -5.378 10.715 1.00 0.00 H new ATOM 0 HB ILE A 31 -8.071 -5.232 9.210 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -6.321 -6.748 7.246 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -7.643 -7.479 8.135 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -6.966 -3.847 7.500 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -6.294 -3.551 9.122 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -5.393 -4.547 7.954 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -8.347 -6.854 5.877 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -9.233 -5.903 7.093 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -7.892 -5.162 6.190 1.00 0.00 H new ATOM 458 N SER A 32 -7.984 -6.793 11.600 1.00 0.00 N ATOM 459 CA SER A 32 -8.854 -7.713 12.323 1.00 0.00 C ATOM 460 C SER A 32 -10.121 -8.003 11.523 1.00 0.00 C ATOM 461 O SER A 32 -11.230 -7.932 12.051 1.00 0.00 O ATOM 462 CB SER A 32 -9.222 -7.133 13.690 1.00 0.00 C ATOM 463 OG SER A 32 -8.126 -7.203 14.585 1.00 0.00 O ATOM 0 H SER A 32 -8.083 -5.816 11.874 1.00 0.00 H new ATOM 0 HA SER A 32 -8.313 -8.648 12.467 1.00 0.00 H new ATOM 0 HB2 SER A 32 -9.537 -6.096 13.576 1.00 0.00 H new ATOM 0 HB3 SER A 32 -10.069 -7.679 14.104 1.00 0.00 H new ATOM 0 HG SER A 32 -8.386 -6.825 15.451 1.00 0.00 H new ATOM 469 N GLU A 33 -9.946 -8.331 10.247 1.00 0.00 N ATOM 470 CA GLU A 33 -11.074 -8.631 9.374 1.00 0.00 C ATOM 471 C GLU A 33 -10.597 -9.224 8.051 1.00 0.00 C ATOM 472 O GLU A 33 -9.573 -8.811 7.508 1.00 0.00 O ATOM 473 CB GLU A 33 -11.896 -7.367 9.112 1.00 0.00 C ATOM 474 CG GLU A 33 -13.353 -7.645 8.784 1.00 0.00 C ATOM 475 CD GLU A 33 -14.193 -7.890 10.022 1.00 0.00 C ATOM 476 OE1 GLU A 33 -13.616 -8.238 11.073 1.00 0.00 O ATOM 477 OE2 GLU A 33 -15.430 -7.733 9.939 1.00 0.00 O ATOM 0 H GLU A 33 -9.034 -8.396 9.795 1.00 0.00 H new ATOM 0 HA GLU A 33 -11.702 -9.367 9.876 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -11.847 -6.723 9.990 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -11.446 -6.815 8.287 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -13.765 -6.800 8.231 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -13.415 -8.515 8.130 1.00 0.00 H new ATOM 484 N ASN A 34 -11.347 -10.194 7.539 1.00 0.00 N ATOM 485 CA ASN A 34 -11.000 -10.845 6.281 1.00 0.00 C ATOM 486 C ASN A 34 -11.762 -10.219 5.117 1.00 0.00 C ATOM 487 O ASN A 34 -12.593 -10.871 4.484 1.00 0.00 O ATOM 488 CB ASN A 34 -11.304 -12.343 6.357 1.00 0.00 C ATOM 489 CG ASN A 34 -10.206 -13.120 7.059 1.00 0.00 C ATOM 490 OD1 ASN A 34 -9.428 -12.559 7.830 1.00 0.00 O ATOM 491 ND2 ASN A 34 -10.139 -14.419 6.793 1.00 0.00 N ATOM 0 H ASN A 34 -12.199 -10.547 7.976 1.00 0.00 H new ATOM 0 HA ASN A 34 -9.932 -10.706 6.111 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -12.246 -12.494 6.884 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -11.436 -12.736 5.349 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -9.421 -14.994 7.235 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -10.805 -14.842 6.147 1.00 0.00 H new ATOM 498 N ILE A 35 -11.472 -8.952 4.840 1.00 0.00 N ATOM 499 CA ILE A 35 -12.128 -8.239 3.751 1.00 0.00 C ATOM 500 C ILE A 35 -11.108 -7.547 2.854 1.00 0.00 C ATOM 501 O ILE A 35 -10.077 -7.053 3.311 1.00 0.00 O ATOM 502 CB ILE A 35 -13.122 -7.190 4.284 1.00 0.00 C ATOM 503 CG1 ILE A 35 -12.403 -6.188 5.189 1.00 0.00 C ATOM 504 CG2 ILE A 35 -14.258 -7.870 5.034 1.00 0.00 C ATOM 505 CD1 ILE A 35 -11.768 -5.040 4.436 1.00 0.00 C ATOM 0 H ILE A 35 -10.787 -8.398 5.355 1.00 0.00 H new ATOM 0 HA ILE A 35 -12.674 -8.983 3.170 1.00 0.00 H new ATOM 0 HB ILE A 35 -13.545 -6.648 3.438 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -13.114 -5.788 5.912 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -11.632 -6.711 5.756 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -14.952 -7.116 5.405 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -14.784 -8.548 4.361 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -13.853 -8.434 5.874 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -11.277 -4.370 5.141 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -11.032 -5.429 3.732 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -12.537 -4.493 3.891 1.00 0.00 H new ATOM 517 N PRO A 36 -11.401 -7.508 1.546 1.00 0.00 N ATOM 518 CA PRO A 36 -10.523 -6.876 0.557 1.00 0.00 C ATOM 519 C PRO A 36 -10.491 -5.358 0.695 1.00 0.00 C ATOM 520 O PRO A 36 -11.359 -4.765 1.334 1.00 0.00 O ATOM 521 CB PRO A 36 -11.149 -7.278 -0.781 1.00 0.00 C ATOM 522 CG PRO A 36 -12.584 -7.528 -0.468 1.00 0.00 C ATOM 523 CD PRO A 36 -12.613 -8.076 0.932 1.00 0.00 C ATOM 0 HA PRO A 36 -9.486 -7.193 0.671 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -11.038 -6.488 -1.523 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -10.672 -8.169 -1.190 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -13.165 -6.608 -0.539 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -13.020 -8.236 -1.173 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -13.514 -7.771 1.464 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -12.593 -9.166 0.937 1.00 0.00 H new ATOM 531 N GLY A 37 -9.483 -4.734 0.092 1.00 0.00 N ATOM 532 CA GLY A 37 -9.358 -3.289 0.160 1.00 0.00 C ATOM 533 C GLY A 37 -8.633 -2.713 -1.039 1.00 0.00 C ATOM 534 O GLY A 37 -8.131 -3.453 -1.886 1.00 0.00 O ATOM 0 H GLY A 37 -8.751 -5.203 -0.442 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -10.351 -2.844 0.228 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -8.823 -3.016 1.070 1.00 0.00 H new ATOM 538 N LYS A 38 -8.578 -1.388 -1.115 1.00 0.00 N ATOM 539 CA LYS A 38 -7.909 -0.711 -2.220 1.00 0.00 C ATOM 540 C LYS A 38 -6.957 0.363 -1.704 1.00 0.00 C ATOM 541 O LYS A 38 -7.205 0.980 -0.668 1.00 0.00 O ATOM 542 CB LYS A 38 -8.941 -0.083 -3.160 1.00 0.00 C ATOM 543 CG LYS A 38 -8.374 0.302 -4.515 1.00 0.00 C ATOM 544 CD LYS A 38 -8.053 -0.923 -5.354 1.00 0.00 C ATOM 545 CE LYS A 38 -7.748 -0.547 -6.796 1.00 0.00 C ATOM 546 NZ LYS A 38 -7.006 -1.625 -7.506 1.00 0.00 N ATOM 0 H LYS A 38 -8.989 -0.761 -0.424 1.00 0.00 H new ATOM 0 HA LYS A 38 -7.329 -1.452 -2.769 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -9.762 -0.785 -3.305 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -9.360 0.804 -2.685 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -9.090 0.930 -5.045 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -7.471 0.896 -4.377 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -7.198 -1.446 -4.925 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -8.895 -1.614 -5.328 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -8.680 -0.341 -7.322 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -7.161 0.371 -6.815 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -6.818 -1.330 -8.485 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -6.105 -1.805 -7.019 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -7.577 -2.494 -7.510 1.00 0.00 H new ATOM 560 N TRP A 39 -5.868 0.581 -2.433 1.00 0.00 N ATOM 561 CA TRP A 39 -4.879 1.582 -2.049 1.00 0.00 C ATOM 562 C TRP A 39 -5.094 2.882 -2.816 1.00 0.00 C ATOM 563 O TRP A 39 -5.821 2.916 -3.810 1.00 0.00 O ATOM 564 CB TRP A 39 -3.466 1.055 -2.299 1.00 0.00 C ATOM 565 CG TRP A 39 -3.208 -0.279 -1.666 1.00 0.00 C ATOM 566 CD1 TRP A 39 -3.910 -1.432 -1.870 1.00 0.00 C ATOM 567 CD2 TRP A 39 -2.178 -0.595 -0.724 1.00 0.00 C ATOM 568 NE1 TRP A 39 -3.378 -2.447 -1.112 1.00 0.00 N ATOM 569 CE2 TRP A 39 -2.314 -1.960 -0.400 1.00 0.00 C ATOM 570 CE3 TRP A 39 -1.152 0.140 -0.124 1.00 0.00 C ATOM 571 CZ2 TRP A 39 -1.463 -2.600 0.497 1.00 0.00 C ATOM 572 CZ3 TRP A 39 -0.309 -0.497 0.767 1.00 0.00 C ATOM 573 CH2 TRP A 39 -0.468 -1.856 1.070 1.00 0.00 C ATOM 0 H TRP A 39 -5.648 0.078 -3.293 1.00 0.00 H new ATOM 0 HA TRP A 39 -4.999 1.786 -0.985 1.00 0.00 H new ATOM 0 HB2 TRP A 39 -3.300 0.977 -3.373 1.00 0.00 H new ATOM 0 HB3 TRP A 39 -2.744 1.776 -1.916 1.00 0.00 H new ATOM 0 HD1 TRP A 39 -4.759 -1.532 -2.530 1.00 0.00 H new ATOM 0 HE1 TRP A 39 -3.720 -3.408 -1.084 1.00 0.00 H new ATOM 0 HE3 TRP A 39 -1.020 1.187 -0.352 1.00 0.00 H new ATOM 0 HZ2 TRP A 39 -1.584 -3.647 0.732 1.00 0.00 H new ATOM 0 HZ3 TRP A 39 0.486 0.062 1.238 1.00 0.00 H new ATOM 0 HH2 TRP A 39 0.208 -2.325 1.769 1.00 0.00 H new ATOM 584 N THR A 40 -4.457 3.952 -2.350 1.00 0.00 N ATOM 585 CA THR A 40 -4.579 5.254 -2.993 1.00 0.00 C ATOM 586 C THR A 40 -3.308 6.077 -2.814 1.00 0.00 C ATOM 587 O THR A 40 -2.715 6.097 -1.735 1.00 0.00 O ATOM 588 CB THR A 40 -5.774 6.048 -2.431 1.00 0.00 C ATOM 589 OG1 THR A 40 -5.743 6.033 -1.000 1.00 0.00 O ATOM 590 CG2 THR A 40 -7.090 5.463 -2.921 1.00 0.00 C ATOM 0 H THR A 40 -3.851 3.942 -1.529 1.00 0.00 H new ATOM 0 HA THR A 40 -4.742 5.068 -4.055 1.00 0.00 H new ATOM 0 HB THR A 40 -5.697 7.076 -2.784 1.00 0.00 H new ATOM 0 HG1 THR A 40 -6.505 6.541 -0.651 1.00 0.00 H new ATOM 0 HG21 THR A 40 -7.919 6.040 -2.511 1.00 0.00 H new ATOM 0 HG22 THR A 40 -7.123 5.503 -4.010 1.00 0.00 H new ATOM 0 HG23 THR A 40 -7.172 4.427 -2.593 1.00 0.00 H new ATOM 598 N LYS A 41 -2.894 6.756 -3.878 1.00 0.00 N ATOM 599 CA LYS A 41 -1.694 7.583 -3.839 1.00 0.00 C ATOM 600 C LYS A 41 -2.049 9.063 -3.947 1.00 0.00 C ATOM 601 O LYS A 41 -2.960 9.440 -4.684 1.00 0.00 O ATOM 602 CB LYS A 41 -0.743 7.192 -4.973 1.00 0.00 C ATOM 603 CG LYS A 41 0.395 8.177 -5.179 1.00 0.00 C ATOM 604 CD LYS A 41 1.509 7.574 -6.017 1.00 0.00 C ATOM 605 CE LYS A 41 2.335 6.580 -5.214 1.00 0.00 C ATOM 606 NZ LYS A 41 2.966 5.551 -6.086 1.00 0.00 N ATOM 0 H LYS A 41 -3.372 6.750 -4.779 1.00 0.00 H new ATOM 0 HA LYS A 41 -1.198 7.415 -2.883 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -0.326 6.207 -4.763 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -1.311 7.107 -5.899 1.00 0.00 H new ATOM 0 HG2 LYS A 41 0.016 9.075 -5.667 1.00 0.00 H new ATOM 0 HG3 LYS A 41 0.792 8.484 -4.211 1.00 0.00 H new ATOM 0 HD2 LYS A 41 1.082 7.075 -6.887 1.00 0.00 H new ATOM 0 HD3 LYS A 41 2.155 8.368 -6.390 1.00 0.00 H new ATOM 0 HE2 LYS A 41 3.109 7.113 -4.663 1.00 0.00 H new ATOM 0 HE3 LYS A 41 1.698 6.091 -4.477 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 3.464 4.854 -5.496 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 2.231 5.071 -6.644 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 3.644 6.009 -6.728 1.00 0.00 H new ATOM 620 N ASN A 42 -1.323 9.897 -3.209 1.00 0.00 N ATOM 621 CA ASN A 42 -1.562 11.335 -3.224 1.00 0.00 C ATOM 622 C ASN A 42 -3.053 11.638 -3.329 1.00 0.00 C ATOM 623 O ASN A 42 -3.462 12.555 -4.040 1.00 0.00 O ATOM 624 CB ASN A 42 -0.814 11.986 -4.389 1.00 0.00 C ATOM 625 CG ASN A 42 0.686 12.016 -4.169 1.00 0.00 C ATOM 626 OD1 ASN A 42 1.162 12.465 -3.125 1.00 0.00 O ATOM 627 ND2 ASN A 42 1.439 11.539 -5.153 1.00 0.00 N ATOM 0 H ASN A 42 -0.565 9.602 -2.594 1.00 0.00 H new ATOM 0 HA ASN A 42 -1.191 11.749 -2.287 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -1.033 11.441 -5.307 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -1.178 13.004 -4.528 1.00 0.00 H new ATOM 0 HD21 ASN A 42 2.455 11.535 -5.062 1.00 0.00 H new ATOM 0 HD22 ASN A 42 1.002 11.177 -6.000 1.00 0.00 H new ATOM 634 N GLY A 43 -3.862 10.861 -2.615 1.00 0.00 N ATOM 635 CA GLY A 43 -5.299 11.063 -2.641 1.00 0.00 C ATOM 636 C GLY A 43 -5.907 10.724 -3.988 1.00 0.00 C ATOM 637 O GLY A 43 -6.745 11.466 -4.503 1.00 0.00 O ATOM 0 H GLY A 43 -3.548 10.095 -2.019 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -5.764 10.447 -1.871 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -5.521 12.102 -2.396 1.00 0.00 H new ATOM 641 N LEU A 44 -5.484 9.603 -4.561 1.00 0.00 N ATOM 642 CA LEU A 44 -5.991 9.168 -5.858 1.00 0.00 C ATOM 643 C LEU A 44 -5.949 7.648 -5.978 1.00 0.00 C ATOM 644 O LEU A 44 -5.154 6.971 -5.325 1.00 0.00 O ATOM 645 CB LEU A 44 -5.174 9.802 -6.986 1.00 0.00 C ATOM 646 CG LEU A 44 -3.955 9.010 -7.459 1.00 0.00 C ATOM 647 CD1 LEU A 44 -4.359 7.981 -8.503 1.00 0.00 C ATOM 648 CD2 LEU A 44 -2.893 9.948 -8.015 1.00 0.00 C ATOM 0 H LEU A 44 -4.791 8.979 -4.148 1.00 0.00 H new ATOM 0 HA LEU A 44 -7.028 9.492 -5.942 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -5.833 9.961 -7.840 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -4.838 10.785 -6.656 1.00 0.00 H new ATOM 0 HG LEU A 44 -3.534 8.483 -6.603 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -3.478 7.427 -8.828 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -5.083 7.290 -8.072 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -4.805 8.487 -9.359 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -2.032 9.367 -8.347 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -3.303 10.503 -8.859 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -2.582 10.646 -7.238 1.00 0.00 H new ATOM 660 N PRO A 45 -6.824 7.097 -6.832 1.00 0.00 N ATOM 661 CA PRO A 45 -6.904 5.651 -7.060 1.00 0.00 C ATOM 662 C PRO A 45 -5.688 5.113 -7.804 1.00 0.00 C ATOM 663 O PRO A 45 -5.467 5.437 -8.971 1.00 0.00 O ATOM 664 CB PRO A 45 -8.166 5.497 -7.914 1.00 0.00 C ATOM 665 CG PRO A 45 -8.320 6.809 -8.602 1.00 0.00 C ATOM 666 CD PRO A 45 -7.800 7.844 -7.643 1.00 0.00 C ATOM 0 HA PRO A 45 -6.934 5.092 -6.125 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -8.061 4.683 -8.632 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -9.036 5.269 -7.298 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -7.760 6.827 -9.537 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -9.364 6.998 -8.852 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -7.333 8.678 -8.166 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -8.599 8.260 -7.029 1.00 0.00 H new ATOM 674 N VAL A 46 -4.900 4.287 -7.122 1.00 0.00 N ATOM 675 CA VAL A 46 -3.706 3.701 -7.720 1.00 0.00 C ATOM 676 C VAL A 46 -4.067 2.776 -8.875 1.00 0.00 C ATOM 677 O VAL A 46 -5.054 2.043 -8.811 1.00 0.00 O ATOM 678 CB VAL A 46 -2.888 2.912 -6.680 1.00 0.00 C ATOM 679 CG1 VAL A 46 -1.734 2.182 -7.351 1.00 0.00 C ATOM 680 CG2 VAL A 46 -2.379 3.840 -5.587 1.00 0.00 C ATOM 0 H VAL A 46 -5.067 4.009 -6.155 1.00 0.00 H new ATOM 0 HA VAL A 46 -3.102 4.527 -8.096 1.00 0.00 H new ATOM 0 HB VAL A 46 -3.539 2.168 -6.220 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -1.167 1.630 -6.601 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -2.126 1.487 -8.094 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -1.081 2.905 -7.840 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -1.803 3.266 -4.861 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -1.744 4.608 -6.028 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -3.225 4.312 -5.087 1.00 0.00 H new ATOM 690 N GLN A 47 -3.261 2.814 -9.931 1.00 0.00 N ATOM 691 CA GLN A 47 -3.496 1.977 -11.102 1.00 0.00 C ATOM 692 C GLN A 47 -2.753 0.651 -10.983 1.00 0.00 C ATOM 693 O GLN A 47 -1.658 0.591 -10.424 1.00 0.00 O ATOM 694 CB GLN A 47 -3.059 2.708 -12.373 1.00 0.00 C ATOM 695 CG GLN A 47 -4.002 3.825 -12.788 1.00 0.00 C ATOM 696 CD GLN A 47 -5.118 3.342 -13.693 1.00 0.00 C ATOM 697 OE1 GLN A 47 -5.066 3.518 -14.910 1.00 0.00 O ATOM 698 NE2 GLN A 47 -6.136 2.727 -13.101 1.00 0.00 N ATOM 0 H GLN A 47 -2.440 3.415 -10.000 1.00 0.00 H new ATOM 0 HA GLN A 47 -4.564 1.769 -11.159 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -2.063 3.123 -12.219 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -2.982 1.988 -13.188 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -4.434 4.280 -11.897 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -3.435 4.602 -13.300 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -6.138 2.603 -12.089 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -6.916 2.379 -13.659 1.00 0.00 H new ATOM 707 N GLU A 48 -3.356 -0.409 -11.511 1.00 0.00 N ATOM 708 CA GLU A 48 -2.750 -1.735 -11.461 1.00 0.00 C ATOM 709 C GLU A 48 -2.138 -2.104 -12.809 1.00 0.00 C ATOM 710 O GLU A 48 -2.725 -1.848 -13.860 1.00 0.00 O ATOM 711 CB GLU A 48 -3.792 -2.781 -11.058 1.00 0.00 C ATOM 712 CG GLU A 48 -4.079 -2.810 -9.566 1.00 0.00 C ATOM 713 CD GLU A 48 -5.216 -3.748 -9.209 1.00 0.00 C ATOM 714 OE1 GLU A 48 -6.338 -3.540 -9.716 1.00 0.00 O ATOM 715 OE2 GLU A 48 -4.984 -4.690 -8.423 1.00 0.00 O ATOM 0 H GLU A 48 -4.262 -0.376 -11.978 1.00 0.00 H new ATOM 0 HA GLU A 48 -1.957 -1.716 -10.714 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -4.720 -2.583 -11.594 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -3.446 -3.766 -11.372 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -3.179 -3.116 -9.033 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -4.323 -1.803 -9.227 1.00 0.00 H new ATOM 722 N SER A 49 -0.954 -2.707 -12.770 1.00 0.00 N ATOM 723 CA SER A 49 -0.260 -3.108 -13.987 1.00 0.00 C ATOM 724 C SER A 49 0.704 -4.258 -13.710 1.00 0.00 C ATOM 725 O SER A 49 1.015 -4.557 -12.556 1.00 0.00 O ATOM 726 CB SER A 49 0.502 -1.921 -14.579 1.00 0.00 C ATOM 727 OG SER A 49 -0.390 -0.937 -15.072 1.00 0.00 O ATOM 0 H SER A 49 -0.456 -2.928 -11.908 1.00 0.00 H new ATOM 0 HA SER A 49 -1.006 -3.448 -14.706 1.00 0.00 H new ATOM 0 HB2 SER A 49 1.147 -1.483 -13.818 1.00 0.00 H new ATOM 0 HB3 SER A 49 1.149 -2.266 -15.385 1.00 0.00 H new ATOM 0 HG SER A 49 -1.311 -1.191 -14.853 1.00 0.00 H new ATOM 733 N ASP A 50 1.174 -4.898 -14.775 1.00 0.00 N ATOM 734 CA ASP A 50 2.103 -6.015 -14.647 1.00 0.00 C ATOM 735 C ASP A 50 3.117 -5.754 -13.537 1.00 0.00 C ATOM 736 O ASP A 50 3.408 -6.636 -12.729 1.00 0.00 O ATOM 737 CB ASP A 50 2.829 -6.255 -15.972 1.00 0.00 C ATOM 738 CG ASP A 50 1.882 -6.651 -17.087 1.00 0.00 C ATOM 739 OD1 ASP A 50 1.077 -7.583 -16.880 1.00 0.00 O ATOM 740 OD2 ASP A 50 1.946 -6.029 -18.168 1.00 0.00 O ATOM 0 H ASP A 50 0.927 -4.663 -15.736 1.00 0.00 H new ATOM 0 HA ASP A 50 1.530 -6.905 -14.389 1.00 0.00 H new ATOM 0 HB2 ASP A 50 3.365 -5.350 -16.259 1.00 0.00 H new ATOM 0 HB3 ASP A 50 3.575 -7.038 -15.838 1.00 0.00 H new ATOM 745 N ARG A 51 3.651 -4.538 -13.505 1.00 0.00 N ATOM 746 CA ARG A 51 4.634 -4.162 -12.495 1.00 0.00 C ATOM 747 C ARG A 51 4.000 -4.119 -11.108 1.00 0.00 C ATOM 748 O ARG A 51 4.396 -4.861 -10.209 1.00 0.00 O ATOM 749 CB ARG A 51 5.246 -2.801 -12.831 1.00 0.00 C ATOM 750 CG ARG A 51 5.927 -2.757 -14.189 1.00 0.00 C ATOM 751 CD ARG A 51 7.355 -3.275 -14.114 1.00 0.00 C ATOM 752 NE ARG A 51 8.090 -3.035 -15.353 1.00 0.00 N ATOM 753 CZ ARG A 51 7.844 -3.677 -16.489 1.00 0.00 C ATOM 754 NH1 ARG A 51 6.887 -4.593 -16.544 1.00 0.00 N ATOM 755 NH2 ARG A 51 8.556 -3.403 -17.575 1.00 0.00 N ATOM 0 H ARG A 51 3.420 -3.796 -14.166 1.00 0.00 H new ATOM 0 HA ARG A 51 5.421 -4.916 -12.492 1.00 0.00 H new ATOM 0 HB2 ARG A 51 4.463 -2.043 -12.802 1.00 0.00 H new ATOM 0 HB3 ARG A 51 5.972 -2.539 -12.061 1.00 0.00 H new ATOM 0 HG2 ARG A 51 5.359 -3.355 -14.902 1.00 0.00 H new ATOM 0 HG3 ARG A 51 5.929 -1.733 -14.563 1.00 0.00 H new ATOM 0 HD2 ARG A 51 7.873 -2.791 -13.286 1.00 0.00 H new ATOM 0 HD3 ARG A 51 7.342 -4.344 -13.901 1.00 0.00 H new ATOM 0 HE ARG A 51 8.833 -2.336 -15.345 1.00 0.00 H new ATOM 0 HH11 ARG A 51 6.337 -4.806 -15.712 1.00 0.00 H new ATOM 0 HH12 ARG A 51 6.701 -5.084 -17.418 1.00 0.00 H new ATOM 0 HH21 ARG A 51 9.293 -2.699 -17.537 1.00 0.00 H new ATOM 0 HH22 ARG A 51 8.366 -3.897 -18.447 1.00 0.00 H new ATOM 769 N LEU A 52 3.013 -3.245 -10.942 1.00 0.00 N ATOM 770 CA LEU A 52 2.323 -3.103 -9.665 1.00 0.00 C ATOM 771 C LEU A 52 1.227 -4.154 -9.518 1.00 0.00 C ATOM 772 O LEU A 52 0.273 -4.184 -10.295 1.00 0.00 O ATOM 773 CB LEU A 52 1.722 -1.702 -9.539 1.00 0.00 C ATOM 774 CG LEU A 52 1.181 -1.325 -8.160 1.00 0.00 C ATOM 775 CD1 LEU A 52 1.223 0.182 -7.964 1.00 0.00 C ATOM 776 CD2 LEU A 52 -0.237 -1.848 -7.982 1.00 0.00 C ATOM 0 H LEU A 52 2.673 -2.624 -11.676 1.00 0.00 H new ATOM 0 HA LEU A 52 3.052 -3.251 -8.869 1.00 0.00 H new ATOM 0 HB2 LEU A 52 2.484 -0.975 -9.819 1.00 0.00 H new ATOM 0 HB3 LEU A 52 0.912 -1.610 -10.263 1.00 0.00 H new ATOM 0 HG LEU A 52 1.815 -1.787 -7.404 1.00 0.00 H new ATOM 0 HD11 LEU A 52 0.834 0.431 -6.977 1.00 0.00 H new ATOM 0 HD12 LEU A 52 2.252 0.531 -8.047 1.00 0.00 H new ATOM 0 HD13 LEU A 52 0.613 0.665 -8.727 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -0.606 -1.570 -6.995 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -0.883 -1.415 -8.746 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -0.239 -2.934 -8.078 1.00 0.00 H new ATOM 788 N LYS A 53 1.370 -5.014 -8.516 1.00 0.00 N ATOM 789 CA LYS A 53 0.391 -6.065 -8.264 1.00 0.00 C ATOM 790 C LYS A 53 -0.069 -6.043 -6.810 1.00 0.00 C ATOM 791 O LYS A 53 0.748 -6.065 -5.889 1.00 0.00 O ATOM 792 CB LYS A 53 0.985 -7.435 -8.601 1.00 0.00 C ATOM 793 CG LYS A 53 -0.053 -8.459 -9.027 1.00 0.00 C ATOM 794 CD LYS A 53 0.525 -9.461 -10.013 1.00 0.00 C ATOM 795 CE LYS A 53 0.347 -8.995 -11.450 1.00 0.00 C ATOM 796 NZ LYS A 53 1.246 -9.725 -12.386 1.00 0.00 N ATOM 0 H LYS A 53 2.155 -5.004 -7.865 1.00 0.00 H new ATOM 0 HA LYS A 53 -0.473 -5.883 -8.903 1.00 0.00 H new ATOM 0 HB2 LYS A 53 1.717 -7.318 -9.400 1.00 0.00 H new ATOM 0 HB3 LYS A 53 1.521 -7.814 -7.731 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -0.428 -8.985 -8.149 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -0.903 -7.950 -9.481 1.00 0.00 H new ATOM 0 HD2 LYS A 53 1.585 -9.607 -9.805 1.00 0.00 H new ATOM 0 HD3 LYS A 53 0.038 -10.427 -9.880 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -0.690 -9.142 -11.753 1.00 0.00 H new ATOM 0 HE3 LYS A 53 0.549 -7.926 -11.513 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 1.094 -9.378 -13.355 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 2.236 -9.564 -12.112 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 1.036 -10.743 -12.346 1.00 0.00 H new ATOM 810 N VAL A 54 -1.383 -6.001 -6.610 1.00 0.00 N ATOM 811 CA VAL A 54 -1.952 -5.978 -5.268 1.00 0.00 C ATOM 812 C VAL A 54 -2.354 -7.378 -4.818 1.00 0.00 C ATOM 813 O VAL A 54 -3.402 -7.891 -5.211 1.00 0.00 O ATOM 814 CB VAL A 54 -3.182 -5.054 -5.195 1.00 0.00 C ATOM 815 CG1 VAL A 54 -3.788 -5.081 -3.800 1.00 0.00 C ATOM 816 CG2 VAL A 54 -2.806 -3.635 -5.595 1.00 0.00 C ATOM 0 H VAL A 54 -2.073 -5.982 -7.361 1.00 0.00 H new ATOM 0 HA VAL A 54 -1.179 -5.593 -4.603 1.00 0.00 H new ATOM 0 HB VAL A 54 -3.931 -5.419 -5.897 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -4.656 -4.422 -3.767 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -4.095 -6.098 -3.556 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -3.048 -4.742 -3.075 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -3.687 -2.995 -5.538 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -2.039 -3.258 -4.919 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -2.423 -3.634 -6.615 1.00 0.00 H new ATOM 826 N VAL A 55 -1.514 -7.992 -3.990 1.00 0.00 N ATOM 827 CA VAL A 55 -1.782 -9.333 -3.484 1.00 0.00 C ATOM 828 C VAL A 55 -2.326 -9.285 -2.061 1.00 0.00 C ATOM 829 O VAL A 55 -1.848 -8.514 -1.230 1.00 0.00 O ATOM 830 CB VAL A 55 -0.514 -10.206 -3.508 1.00 0.00 C ATOM 831 CG1 VAL A 55 -0.811 -11.596 -2.966 1.00 0.00 C ATOM 832 CG2 VAL A 55 0.052 -10.285 -4.918 1.00 0.00 C ATOM 0 H VAL A 55 -0.642 -7.582 -3.656 1.00 0.00 H new ATOM 0 HA VAL A 55 -2.531 -9.775 -4.141 1.00 0.00 H new ATOM 0 HB VAL A 55 0.235 -9.744 -2.865 1.00 0.00 H new ATOM 0 HG11 VAL A 55 0.097 -12.198 -2.991 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -1.166 -11.518 -1.938 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -1.577 -12.070 -3.580 1.00 0.00 H new ATOM 0 HG21 VAL A 55 0.948 -10.906 -4.916 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -0.691 -10.722 -5.584 1.00 0.00 H new ATOM 0 HG23 VAL A 55 0.306 -9.283 -5.265 1.00 0.00 H new ATOM 842 N GLN A 56 -3.329 -10.114 -1.788 1.00 0.00 N ATOM 843 CA GLN A 56 -3.938 -10.166 -0.465 1.00 0.00 C ATOM 844 C GLN A 56 -3.936 -11.590 0.080 1.00 0.00 C ATOM 845 O GLN A 56 -4.203 -12.546 -0.648 1.00 0.00 O ATOM 846 CB GLN A 56 -5.370 -9.630 -0.518 1.00 0.00 C ATOM 847 CG GLN A 56 -6.092 -9.689 0.818 1.00 0.00 C ATOM 848 CD GLN A 56 -7.590 -9.503 0.681 1.00 0.00 C ATOM 849 OE1 GLN A 56 -8.087 -9.140 -0.386 1.00 0.00 O ATOM 850 NE2 GLN A 56 -8.319 -9.751 1.762 1.00 0.00 N ATOM 0 H GLN A 56 -3.736 -10.758 -2.466 1.00 0.00 H new ATOM 0 HA GLN A 56 -3.347 -9.540 0.204 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -5.350 -8.597 -0.865 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -5.936 -10.202 -1.253 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -5.891 -10.649 1.293 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -5.693 -8.918 1.477 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -7.866 -10.050 2.625 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -9.333 -9.643 1.729 1.00 0.00 H new ATOM 859 N LYS A 57 -3.632 -11.725 1.367 1.00 0.00 N ATOM 860 CA LYS A 57 -3.595 -13.033 2.012 1.00 0.00 C ATOM 861 C LYS A 57 -4.427 -13.033 3.290 1.00 0.00 C ATOM 862 O LYS A 57 -3.986 -12.547 4.330 1.00 0.00 O ATOM 863 CB LYS A 57 -2.151 -13.426 2.331 1.00 0.00 C ATOM 864 CG LYS A 57 -1.347 -13.835 1.109 1.00 0.00 C ATOM 865 CD LYS A 57 -1.484 -15.321 0.823 1.00 0.00 C ATOM 866 CE LYS A 57 -0.486 -16.138 1.630 1.00 0.00 C ATOM 867 NZ LYS A 57 0.916 -15.883 1.200 1.00 0.00 N ATOM 0 H LYS A 57 -3.408 -10.944 1.984 1.00 0.00 H new ATOM 0 HA LYS A 57 -4.020 -13.763 1.323 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -1.654 -12.587 2.818 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -2.157 -14.250 3.044 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -1.683 -13.264 0.243 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -0.297 -13.589 1.264 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -2.497 -15.646 1.059 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -1.330 -15.504 -0.240 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -0.591 -15.897 2.688 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -0.712 -17.199 1.521 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 1.510 -16.700 1.450 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 0.942 -15.738 0.171 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 1.277 -15.033 1.679 1.00 0.00 H new ATOM 881 N GLY A 58 -5.635 -13.582 3.204 1.00 0.00 N ATOM 882 CA GLY A 58 -6.509 -13.636 4.361 1.00 0.00 C ATOM 883 C GLY A 58 -6.832 -12.260 4.909 1.00 0.00 C ATOM 884 O GLY A 58 -7.727 -11.580 4.408 1.00 0.00 O ATOM 0 H GLY A 58 -6.024 -13.990 2.354 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -7.435 -14.142 4.089 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -6.037 -14.233 5.141 1.00 0.00 H new ATOM 888 N ARG A 59 -6.101 -11.850 5.941 1.00 0.00 N ATOM 889 CA ARG A 59 -6.316 -10.547 6.559 1.00 0.00 C ATOM 890 C ARG A 59 -5.044 -9.706 6.512 1.00 0.00 C ATOM 891 O ARG A 59 -4.774 -8.920 7.420 1.00 0.00 O ATOM 892 CB ARG A 59 -6.775 -10.716 8.008 1.00 0.00 C ATOM 893 CG ARG A 59 -6.003 -11.780 8.772 1.00 0.00 C ATOM 894 CD ARG A 59 -6.671 -12.109 10.098 1.00 0.00 C ATOM 895 NE ARG A 59 -7.640 -13.193 9.968 1.00 0.00 N ATOM 896 CZ ARG A 59 -8.281 -13.733 10.999 1.00 0.00 C ATOM 897 NH1 ARG A 59 -8.055 -13.292 12.229 1.00 0.00 N ATOM 898 NH2 ARG A 59 -9.149 -14.717 10.800 1.00 0.00 N ATOM 0 H ARG A 59 -5.355 -12.401 6.366 1.00 0.00 H new ATOM 0 HA ARG A 59 -7.093 -10.030 5.996 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -6.672 -9.763 8.526 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -7.835 -10.971 8.017 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -5.930 -12.683 8.166 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -4.985 -11.434 8.952 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -5.911 -12.388 10.828 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -7.171 -11.220 10.483 1.00 0.00 H new ATOM 0 HE ARG A 59 -7.836 -13.556 9.035 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -7.388 -12.537 12.385 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -8.548 -13.708 13.019 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -9.324 -15.059 9.855 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -9.641 -15.131 11.592 1.00 0.00 H new ATOM 912 N ILE A 60 -4.266 -9.879 5.449 1.00 0.00 N ATOM 913 CA ILE A 60 -3.022 -9.136 5.284 1.00 0.00 C ATOM 914 C ILE A 60 -2.867 -8.636 3.852 1.00 0.00 C ATOM 915 O ILE A 60 -2.724 -9.426 2.918 1.00 0.00 O ATOM 916 CB ILE A 60 -1.799 -9.997 5.650 1.00 0.00 C ATOM 917 CG1 ILE A 60 -1.854 -10.398 7.126 1.00 0.00 C ATOM 918 CG2 ILE A 60 -0.512 -9.245 5.347 1.00 0.00 C ATOM 919 CD1 ILE A 60 -0.835 -11.450 7.505 1.00 0.00 C ATOM 0 H ILE A 60 -4.475 -10.527 4.689 1.00 0.00 H new ATOM 0 HA ILE A 60 -3.071 -8.283 5.961 1.00 0.00 H new ATOM 0 HB ILE A 60 -1.817 -10.904 5.046 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -1.695 -9.512 7.741 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -2.852 -10.771 7.356 1.00 0.00 H new ATOM 0 HG21 ILE A 60 0.343 -9.867 5.611 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -0.472 -9.005 4.284 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -0.484 -8.323 5.928 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -0.932 -11.685 8.565 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -1.006 -12.351 6.916 1.00 0.00 H new ATOM 0 HD13 ILE A 60 0.168 -11.073 7.307 1.00 0.00 H new ATOM 931 N HIS A 61 -2.894 -7.317 3.685 1.00 0.00 N ATOM 932 CA HIS A 61 -2.754 -6.710 2.366 1.00 0.00 C ATOM 933 C HIS A 61 -1.290 -6.413 2.058 1.00 0.00 C ATOM 934 O HIS A 61 -0.693 -5.506 2.640 1.00 0.00 O ATOM 935 CB HIS A 61 -3.576 -5.424 2.284 1.00 0.00 C ATOM 936 CG HIS A 61 -5.037 -5.628 2.545 1.00 0.00 C ATOM 937 ND1 HIS A 61 -5.950 -5.892 1.546 1.00 0.00 N ATOM 938 CD2 HIS A 61 -5.741 -5.609 3.700 1.00 0.00 C ATOM 939 CE1 HIS A 61 -7.153 -6.024 2.075 1.00 0.00 C ATOM 940 NE2 HIS A 61 -7.053 -5.857 3.382 1.00 0.00 N ATOM 0 H HIS A 61 -3.012 -6.649 4.446 1.00 0.00 H new ATOM 0 HA HIS A 61 -3.126 -7.418 1.625 1.00 0.00 H new ATOM 0 HB2 HIS A 61 -3.184 -4.706 3.004 1.00 0.00 H new ATOM 0 HB3 HIS A 61 -3.450 -4.985 1.294 1.00 0.00 H new ATOM 0 HD1 HIS A 61 -5.731 -5.973 0.553 1.00 0.00 H new ATOM 0 HD2 HIS A 61 -5.344 -5.432 4.689 1.00 0.00 H new ATOM 0 HE1 HIS A 61 -8.063 -6.233 1.532 1.00 0.00 H new ATOM 949 N LYS A 62 -0.715 -7.182 1.140 1.00 0.00 N ATOM 950 CA LYS A 62 0.679 -7.002 0.753 1.00 0.00 C ATOM 951 C LYS A 62 0.782 -6.324 -0.609 1.00 0.00 C ATOM 952 O LYS A 62 0.098 -6.707 -1.559 1.00 0.00 O ATOM 953 CB LYS A 62 1.399 -8.352 0.719 1.00 0.00 C ATOM 954 CG LYS A 62 2.906 -8.234 0.575 1.00 0.00 C ATOM 955 CD LYS A 62 3.620 -9.425 1.193 1.00 0.00 C ATOM 956 CE LYS A 62 3.267 -10.719 0.476 1.00 0.00 C ATOM 957 NZ LYS A 62 4.032 -10.877 -0.792 1.00 0.00 N ATOM 0 H LYS A 62 -1.194 -7.937 0.649 1.00 0.00 H new ATOM 0 HA LYS A 62 1.156 -6.362 1.495 1.00 0.00 H new ATOM 0 HB2 LYS A 62 1.172 -8.899 1.634 1.00 0.00 H new ATOM 0 HB3 LYS A 62 1.008 -8.942 -0.110 1.00 0.00 H new ATOM 0 HG2 LYS A 62 3.167 -8.160 -0.481 1.00 0.00 H new ATOM 0 HG3 LYS A 62 3.247 -7.316 1.053 1.00 0.00 H new ATOM 0 HD2 LYS A 62 4.698 -9.267 1.151 1.00 0.00 H new ATOM 0 HD3 LYS A 62 3.351 -9.506 2.246 1.00 0.00 H new ATOM 0 HE2 LYS A 62 3.472 -11.565 1.132 1.00 0.00 H new ATOM 0 HE3 LYS A 62 2.199 -10.735 0.260 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 3.763 -11.771 -1.251 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 3.817 -10.083 -1.428 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 5.051 -10.888 -0.584 1.00 0.00 H new ATOM 971 N LEU A 63 1.643 -5.316 -0.699 1.00 0.00 N ATOM 972 CA LEU A 63 1.837 -4.585 -1.947 1.00 0.00 C ATOM 973 C LEU A 63 3.312 -4.259 -2.162 1.00 0.00 C ATOM 974 O LEU A 63 3.887 -3.437 -1.448 1.00 0.00 O ATOM 975 CB LEU A 63 1.013 -3.296 -1.940 1.00 0.00 C ATOM 976 CG LEU A 63 0.788 -2.636 -3.300 1.00 0.00 C ATOM 977 CD1 LEU A 63 -0.454 -1.759 -3.269 1.00 0.00 C ATOM 978 CD2 LEU A 63 2.008 -1.823 -3.707 1.00 0.00 C ATOM 0 H LEU A 63 2.218 -4.986 0.077 1.00 0.00 H new ATOM 0 HA LEU A 63 1.500 -5.219 -2.767 1.00 0.00 H new ATOM 0 HB2 LEU A 63 0.040 -3.513 -1.498 1.00 0.00 H new ATOM 0 HB3 LEU A 63 1.507 -2.577 -1.287 1.00 0.00 H new ATOM 0 HG LEU A 63 0.635 -3.420 -4.042 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -0.598 -1.297 -4.246 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -1.324 -2.369 -3.024 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -0.332 -0.981 -2.515 1.00 0.00 H new ATOM 0 HD21 LEU A 63 1.830 -1.360 -4.678 1.00 0.00 H new ATOM 0 HD22 LEU A 63 2.193 -1.047 -2.964 1.00 0.00 H new ATOM 0 HD23 LEU A 63 2.877 -2.478 -3.771 1.00 0.00 H new ATOM 990 N VAL A 64 3.917 -4.906 -3.153 1.00 0.00 N ATOM 991 CA VAL A 64 5.324 -4.682 -3.466 1.00 0.00 C ATOM 992 C VAL A 64 5.497 -4.195 -4.900 1.00 0.00 C ATOM 993 O VAL A 64 4.835 -4.683 -5.816 1.00 0.00 O ATOM 994 CB VAL A 64 6.154 -5.963 -3.266 1.00 0.00 C ATOM 995 CG1 VAL A 64 5.731 -6.681 -1.993 1.00 0.00 C ATOM 996 CG2 VAL A 64 6.018 -6.879 -4.473 1.00 0.00 C ATOM 0 H VAL A 64 3.455 -5.589 -3.753 1.00 0.00 H new ATOM 0 HA VAL A 64 5.683 -3.915 -2.780 1.00 0.00 H new ATOM 0 HB VAL A 64 7.203 -5.683 -3.166 1.00 0.00 H new ATOM 0 HG11 VAL A 64 6.329 -7.584 -1.869 1.00 0.00 H new ATOM 0 HG12 VAL A 64 5.884 -6.024 -1.137 1.00 0.00 H new ATOM 0 HG13 VAL A 64 4.677 -6.950 -2.060 1.00 0.00 H new ATOM 0 HG21 VAL A 64 6.611 -7.780 -4.315 1.00 0.00 H new ATOM 0 HG22 VAL A 64 4.971 -7.152 -4.606 1.00 0.00 H new ATOM 0 HG23 VAL A 64 6.374 -6.362 -5.364 1.00 0.00 H new ATOM 1006 N ILE A 65 6.392 -3.231 -5.088 1.00 0.00 N ATOM 1007 CA ILE A 65 6.654 -2.680 -6.411 1.00 0.00 C ATOM 1008 C ILE A 65 7.924 -3.273 -7.012 1.00 0.00 C ATOM 1009 O ILE A 65 8.919 -3.471 -6.316 1.00 0.00 O ATOM 1010 CB ILE A 65 6.789 -1.146 -6.365 1.00 0.00 C ATOM 1011 CG1 ILE A 65 5.503 -0.515 -5.828 1.00 0.00 C ATOM 1012 CG2 ILE A 65 7.115 -0.602 -7.748 1.00 0.00 C ATOM 1013 CD1 ILE A 65 5.610 0.977 -5.603 1.00 0.00 C ATOM 0 H ILE A 65 6.948 -2.816 -4.340 1.00 0.00 H new ATOM 0 HA ILE A 65 5.801 -2.943 -7.037 1.00 0.00 H new ATOM 0 HB ILE A 65 7.607 -0.888 -5.692 1.00 0.00 H new ATOM 0 HG12 ILE A 65 4.692 -0.711 -6.529 1.00 0.00 H new ATOM 0 HG13 ILE A 65 5.236 -0.998 -4.888 1.00 0.00 H new ATOM 0 HG21 ILE A 65 7.207 0.483 -7.700 1.00 0.00 H new ATOM 0 HG22 ILE A 65 8.055 -1.031 -8.096 1.00 0.00 H new ATOM 0 HG23 ILE A 65 6.317 -0.868 -8.441 1.00 0.00 H new ATOM 0 HD11 ILE A 65 4.662 1.356 -5.222 1.00 0.00 H new ATOM 0 HD12 ILE A 65 6.399 1.180 -4.879 1.00 0.00 H new ATOM 0 HD13 ILE A 65 5.846 1.471 -6.545 1.00 0.00 H new ATOM 1025 N ALA A 66 7.883 -3.553 -8.311 1.00 0.00 N ATOM 1026 CA ALA A 66 9.031 -4.119 -9.007 1.00 0.00 C ATOM 1027 C ALA A 66 10.206 -3.147 -9.009 1.00 0.00 C ATOM 1028 O ALA A 66 11.287 -3.465 -8.516 1.00 0.00 O ATOM 1029 CB ALA A 66 8.651 -4.494 -10.432 1.00 0.00 C ATOM 0 H ALA A 66 7.067 -3.397 -8.902 1.00 0.00 H new ATOM 0 HA ALA A 66 9.340 -5.019 -8.476 1.00 0.00 H new ATOM 0 HB1 ALA A 66 9.518 -4.916 -10.941 1.00 0.00 H new ATOM 0 HB2 ALA A 66 7.848 -5.231 -10.413 1.00 0.00 H new ATOM 0 HB3 ALA A 66 8.315 -3.605 -10.965 1.00 0.00 H new ATOM 1035 N ASN A 67 9.987 -1.962 -9.569 1.00 0.00 N ATOM 1036 CA ASN A 67 11.029 -0.944 -9.636 1.00 0.00 C ATOM 1037 C ASN A 67 10.619 0.306 -8.864 1.00 0.00 C ATOM 1038 O ASN A 67 9.606 0.934 -9.172 1.00 0.00 O ATOM 1039 CB ASN A 67 11.325 -0.583 -11.093 1.00 0.00 C ATOM 1040 CG ASN A 67 12.013 -1.709 -11.840 1.00 0.00 C ATOM 1041 OD1 ASN A 67 11.483 -2.235 -12.819 1.00 0.00 O ATOM 1042 ND2 ASN A 67 13.200 -2.086 -11.379 1.00 0.00 N ATOM 0 H ASN A 67 9.097 -1.683 -9.983 1.00 0.00 H new ATOM 0 HA ASN A 67 11.931 -1.352 -9.179 1.00 0.00 H new ATOM 0 HB2 ASN A 67 10.393 -0.332 -11.599 1.00 0.00 H new ATOM 0 HB3 ASN A 67 11.954 0.307 -11.123 1.00 0.00 H new ATOM 0 HD21 ASN A 67 13.710 -2.840 -11.840 1.00 0.00 H new ATOM 0 HD22 ASN A 67 13.602 -1.622 -10.564 1.00 0.00 H new ATOM 1049 N ALA A 68 11.413 0.662 -7.860 1.00 0.00 N ATOM 1050 CA ALA A 68 11.135 1.839 -7.046 1.00 0.00 C ATOM 1051 C ALA A 68 11.436 3.122 -7.813 1.00 0.00 C ATOM 1052 O ALA A 68 12.587 3.552 -7.895 1.00 0.00 O ATOM 1053 CB ALA A 68 11.941 1.791 -5.756 1.00 0.00 C ATOM 0 H ALA A 68 12.254 0.152 -7.591 1.00 0.00 H new ATOM 0 HA ALA A 68 10.073 1.836 -6.799 1.00 0.00 H new ATOM 0 HB1 ALA A 68 11.724 2.676 -5.158 1.00 0.00 H new ATOM 0 HB2 ALA A 68 11.673 0.897 -5.192 1.00 0.00 H new ATOM 0 HB3 ALA A 68 13.005 1.765 -5.992 1.00 0.00 H new ATOM 1059 N LEU A 69 10.396 3.728 -8.374 1.00 0.00 N ATOM 1060 CA LEU A 69 10.549 4.963 -9.136 1.00 0.00 C ATOM 1061 C LEU A 69 10.271 6.181 -8.261 1.00 0.00 C ATOM 1062 O LEU A 69 9.535 6.098 -7.277 1.00 0.00 O ATOM 1063 CB LEU A 69 9.608 4.961 -10.341 1.00 0.00 C ATOM 1064 CG LEU A 69 9.859 3.874 -11.387 1.00 0.00 C ATOM 1065 CD1 LEU A 69 8.645 3.710 -12.289 1.00 0.00 C ATOM 1066 CD2 LEU A 69 11.096 4.202 -12.211 1.00 0.00 C ATOM 0 H LEU A 69 9.437 3.385 -8.316 1.00 0.00 H new ATOM 0 HA LEU A 69 11.579 5.019 -9.487 1.00 0.00 H new ATOM 0 HB2 LEU A 69 8.585 4.859 -9.978 1.00 0.00 H new ATOM 0 HB3 LEU A 69 9.676 5.932 -10.832 1.00 0.00 H new ATOM 0 HG LEU A 69 10.031 2.931 -10.868 1.00 0.00 H new ATOM 0 HD11 LEU A 69 8.842 2.932 -13.027 1.00 0.00 H new ATOM 0 HD12 LEU A 69 7.780 3.429 -11.688 1.00 0.00 H new ATOM 0 HD13 LEU A 69 8.441 4.651 -12.800 1.00 0.00 H new ATOM 0 HD21 LEU A 69 11.259 3.418 -12.950 1.00 0.00 H new ATOM 0 HD22 LEU A 69 10.952 5.155 -12.719 1.00 0.00 H new ATOM 0 HD23 LEU A 69 11.964 4.268 -11.554 1.00 0.00 H new ATOM 1078 N THR A 70 10.863 7.313 -8.626 1.00 0.00 N ATOM 1079 CA THR A 70 10.679 8.549 -7.876 1.00 0.00 C ATOM 1080 C THR A 70 9.207 8.783 -7.555 1.00 0.00 C ATOM 1081 O THR A 70 8.852 9.087 -6.416 1.00 0.00 O ATOM 1082 CB THR A 70 11.222 9.764 -8.652 1.00 0.00 C ATOM 1083 OG1 THR A 70 11.047 10.957 -7.879 1.00 0.00 O ATOM 1084 CG2 THR A 70 10.515 9.911 -9.990 1.00 0.00 C ATOM 0 H THR A 70 11.475 7.400 -9.438 1.00 0.00 H new ATOM 0 HA THR A 70 11.239 8.441 -6.947 1.00 0.00 H new ATOM 0 HB THR A 70 12.284 9.605 -8.837 1.00 0.00 H new ATOM 0 HG1 THR A 70 11.396 11.725 -8.378 1.00 0.00 H new ATOM 0 HG21 THR A 70 10.915 10.775 -10.520 1.00 0.00 H new ATOM 0 HG22 THR A 70 10.676 9.013 -10.587 1.00 0.00 H new ATOM 0 HG23 THR A 70 9.447 10.050 -9.824 1.00 0.00 H new ATOM 1092 N GLU A 71 8.355 8.638 -8.565 1.00 0.00 N ATOM 1093 CA GLU A 71 6.921 8.834 -8.388 1.00 0.00 C ATOM 1094 C GLU A 71 6.438 8.181 -7.096 1.00 0.00 C ATOM 1095 O GLU A 71 5.480 8.642 -6.476 1.00 0.00 O ATOM 1096 CB GLU A 71 6.154 8.259 -9.580 1.00 0.00 C ATOM 1097 CG GLU A 71 6.266 6.748 -9.705 1.00 0.00 C ATOM 1098 CD GLU A 71 5.074 6.131 -10.409 1.00 0.00 C ATOM 1099 OE1 GLU A 71 3.986 6.745 -10.382 1.00 0.00 O ATOM 1100 OE2 GLU A 71 5.227 5.035 -10.987 1.00 0.00 O ATOM 0 H GLU A 71 8.633 8.386 -9.513 1.00 0.00 H new ATOM 0 HA GLU A 71 6.732 9.906 -8.326 1.00 0.00 H new ATOM 0 HB2 GLU A 71 5.102 8.531 -9.490 1.00 0.00 H new ATOM 0 HB3 GLU A 71 6.525 8.719 -10.496 1.00 0.00 H new ATOM 0 HG2 GLU A 71 7.175 6.499 -10.252 1.00 0.00 H new ATOM 0 HG3 GLU A 71 6.362 6.311 -8.711 1.00 0.00 H new ATOM 1107 N ASP A 72 7.108 7.106 -6.697 1.00 0.00 N ATOM 1108 CA ASP A 72 6.749 6.389 -5.479 1.00 0.00 C ATOM 1109 C ASP A 72 6.747 7.328 -4.276 1.00 0.00 C ATOM 1110 O ASP A 72 5.853 7.269 -3.433 1.00 0.00 O ATOM 1111 CB ASP A 72 7.720 5.232 -5.237 1.00 0.00 C ATOM 1112 CG ASP A 72 8.917 5.646 -4.404 1.00 0.00 C ATOM 1113 OD1 ASP A 72 9.699 6.500 -4.872 1.00 0.00 O ATOM 1114 OD2 ASP A 72 9.072 5.115 -3.285 1.00 0.00 O ATOM 0 H ASP A 72 7.903 6.712 -7.199 1.00 0.00 H new ATOM 0 HA ASP A 72 5.743 5.988 -5.606 1.00 0.00 H new ATOM 0 HB2 ASP A 72 7.195 4.420 -4.735 1.00 0.00 H new ATOM 0 HB3 ASP A 72 8.065 4.844 -6.196 1.00 0.00 H new ATOM 1119 N GLU A 73 7.755 8.191 -4.205 1.00 0.00 N ATOM 1120 CA GLU A 73 7.870 9.141 -3.104 1.00 0.00 C ATOM 1121 C GLU A 73 6.639 10.040 -3.031 1.00 0.00 C ATOM 1122 O GLU A 73 6.428 10.892 -3.893 1.00 0.00 O ATOM 1123 CB GLU A 73 9.130 9.994 -3.266 1.00 0.00 C ATOM 1124 CG GLU A 73 9.430 10.871 -2.062 1.00 0.00 C ATOM 1125 CD GLU A 73 8.589 12.132 -2.034 1.00 0.00 C ATOM 1126 OE1 GLU A 73 7.482 12.095 -1.458 1.00 0.00 O ATOM 1127 OE2 GLU A 73 9.039 13.157 -2.589 1.00 0.00 O ATOM 0 H GLU A 73 8.503 8.252 -4.896 1.00 0.00 H new ATOM 0 HA GLU A 73 7.941 8.575 -2.175 1.00 0.00 H new ATOM 0 HB2 GLU A 73 9.981 9.338 -3.449 1.00 0.00 H new ATOM 0 HB3 GLU A 73 9.020 10.626 -4.147 1.00 0.00 H new ATOM 0 HG2 GLU A 73 9.254 10.301 -1.150 1.00 0.00 H new ATOM 0 HG3 GLU A 73 10.486 11.143 -2.069 1.00 0.00 H new ATOM 1134 N GLY A 74 5.830 9.843 -1.995 1.00 0.00 N ATOM 1135 CA GLY A 74 4.630 10.643 -1.828 1.00 0.00 C ATOM 1136 C GLY A 74 3.870 10.290 -0.565 1.00 0.00 C ATOM 1137 O GLY A 74 4.352 10.522 0.544 1.00 0.00 O ATOM 0 H GLY A 74 5.984 9.144 -1.268 1.00 0.00 H new ATOM 0 HA2 GLY A 74 4.901 11.698 -1.802 1.00 0.00 H new ATOM 0 HA3 GLY A 74 3.980 10.502 -2.691 1.00 0.00 H new ATOM 1141 N ASP A 75 2.677 9.730 -0.732 1.00 0.00 N ATOM 1142 CA ASP A 75 1.847 9.345 0.404 1.00 0.00 C ATOM 1143 C ASP A 75 1.017 8.108 0.077 1.00 0.00 C ATOM 1144 O ASP A 75 0.118 8.155 -0.763 1.00 0.00 O ATOM 1145 CB ASP A 75 0.928 10.499 0.806 1.00 0.00 C ATOM 1146 CG ASP A 75 1.641 11.837 0.799 1.00 0.00 C ATOM 1147 OD1 ASP A 75 2.238 12.195 1.836 1.00 0.00 O ATOM 1148 OD2 ASP A 75 1.602 12.526 -0.242 1.00 0.00 O ATOM 0 H ASP A 75 2.263 9.532 -1.643 1.00 0.00 H new ATOM 0 HA ASP A 75 2.506 9.108 1.239 1.00 0.00 H new ATOM 0 HB2 ASP A 75 0.080 10.539 0.123 1.00 0.00 H new ATOM 0 HB3 ASP A 75 0.526 10.310 1.802 1.00 0.00 H new ATOM 1153 N TYR A 76 1.326 7.001 0.743 1.00 0.00 N ATOM 1154 CA TYR A 76 0.612 5.750 0.521 1.00 0.00 C ATOM 1155 C TYR A 76 -0.539 5.596 1.510 1.00 0.00 C ATOM 1156 O TYR A 76 -0.345 5.676 2.723 1.00 0.00 O ATOM 1157 CB TYR A 76 1.568 4.563 0.645 1.00 0.00 C ATOM 1158 CG TYR A 76 2.341 4.272 -0.621 1.00 0.00 C ATOM 1159 CD1 TYR A 76 3.352 5.122 -1.052 1.00 0.00 C ATOM 1160 CD2 TYR A 76 2.059 3.148 -1.388 1.00 0.00 C ATOM 1161 CE1 TYR A 76 4.060 4.861 -2.209 1.00 0.00 C ATOM 1162 CE2 TYR A 76 2.763 2.878 -2.545 1.00 0.00 C ATOM 1163 CZ TYR A 76 3.762 3.737 -2.952 1.00 0.00 C ATOM 1164 OH TYR A 76 4.465 3.472 -4.105 1.00 0.00 O ATOM 0 H TYR A 76 2.067 6.945 1.442 1.00 0.00 H new ATOM 0 HA TYR A 76 0.200 5.772 -0.488 1.00 0.00 H new ATOM 0 HB2 TYR A 76 2.272 4.758 1.454 1.00 0.00 H new ATOM 0 HB3 TYR A 76 0.999 3.677 0.925 1.00 0.00 H new ATOM 0 HD1 TYR A 76 3.588 6.002 -0.472 1.00 0.00 H new ATOM 0 HD2 TYR A 76 1.276 2.474 -1.074 1.00 0.00 H new ATOM 0 HE1 TYR A 76 4.842 5.533 -2.530 1.00 0.00 H new ATOM 0 HE2 TYR A 76 2.532 1.999 -3.128 1.00 0.00 H new ATOM 0 HH TYR A 76 5.326 3.065 -3.877 1.00 0.00 H new ATOM 1174 N VAL A 77 -1.739 5.375 0.983 1.00 0.00 N ATOM 1175 CA VAL A 77 -2.922 5.208 1.818 1.00 0.00 C ATOM 1176 C VAL A 77 -3.702 3.959 1.422 1.00 0.00 C ATOM 1177 O VAL A 77 -3.823 3.638 0.240 1.00 0.00 O ATOM 1178 CB VAL A 77 -3.853 6.432 1.724 1.00 0.00 C ATOM 1179 CG1 VAL A 77 -5.152 6.174 2.472 1.00 0.00 C ATOM 1180 CG2 VAL A 77 -3.156 7.673 2.263 1.00 0.00 C ATOM 0 H VAL A 77 -1.917 5.307 -0.019 1.00 0.00 H new ATOM 0 HA VAL A 77 -2.572 5.105 2.845 1.00 0.00 H new ATOM 0 HB VAL A 77 -4.094 6.604 0.675 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -5.797 7.050 2.394 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -5.657 5.312 2.037 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -4.934 5.976 3.521 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -3.828 8.528 2.189 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -2.885 7.514 3.307 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -2.256 7.867 1.680 1.00 0.00 H new ATOM 1190 N PHE A 78 -4.231 3.258 2.420 1.00 0.00 N ATOM 1191 CA PHE A 78 -5.000 2.043 2.177 1.00 0.00 C ATOM 1192 C PHE A 78 -6.373 2.127 2.838 1.00 0.00 C ATOM 1193 O PHE A 78 -6.480 2.352 4.043 1.00 0.00 O ATOM 1194 CB PHE A 78 -4.243 0.822 2.701 1.00 0.00 C ATOM 1195 CG PHE A 78 -5.089 -0.416 2.788 1.00 0.00 C ATOM 1196 CD1 PHE A 78 -5.230 -1.253 1.693 1.00 0.00 C ATOM 1197 CD2 PHE A 78 -5.742 -0.743 3.965 1.00 0.00 C ATOM 1198 CE1 PHE A 78 -6.009 -2.393 1.770 1.00 0.00 C ATOM 1199 CE2 PHE A 78 -6.522 -1.882 4.048 1.00 0.00 C ATOM 1200 CZ PHE A 78 -6.654 -2.708 2.949 1.00 0.00 C ATOM 0 H PHE A 78 -4.141 3.511 3.404 1.00 0.00 H new ATOM 0 HA PHE A 78 -5.140 1.941 1.101 1.00 0.00 H new ATOM 0 HB2 PHE A 78 -3.391 0.625 2.050 1.00 0.00 H new ATOM 0 HB3 PHE A 78 -3.843 1.049 3.689 1.00 0.00 H new ATOM 0 HD1 PHE A 78 -4.726 -1.012 0.769 1.00 0.00 H new ATOM 0 HD2 PHE A 78 -5.641 -0.101 4.828 1.00 0.00 H new ATOM 0 HE1 PHE A 78 -6.113 -3.036 0.909 1.00 0.00 H new ATOM 0 HE2 PHE A 78 -7.027 -2.125 4.971 1.00 0.00 H new ATOM 0 HZ PHE A 78 -7.261 -3.599 3.012 1.00 0.00 H new ATOM 1210 N ALA A 79 -7.420 1.944 2.040 1.00 0.00 N ATOM 1211 CA ALA A 79 -8.785 1.997 2.547 1.00 0.00 C ATOM 1212 C ALA A 79 -9.577 0.766 2.121 1.00 0.00 C ATOM 1213 O ALA A 79 -9.677 0.441 0.938 1.00 0.00 O ATOM 1214 CB ALA A 79 -9.477 3.264 2.067 1.00 0.00 C ATOM 0 H ALA A 79 -7.348 1.758 1.040 1.00 0.00 H new ATOM 0 HA ALA A 79 -8.742 2.010 3.636 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -10.496 3.291 2.453 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -8.930 4.136 2.426 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -9.502 3.275 0.977 1.00 0.00 H new ATOM 1220 N PRO A 80 -10.155 0.062 3.106 1.00 0.00 N ATOM 1221 CA PRO A 80 -10.948 -1.145 2.857 1.00 0.00 C ATOM 1222 C PRO A 80 -12.273 -0.836 2.169 1.00 0.00 C ATOM 1223 O PRO A 80 -12.795 0.274 2.275 1.00 0.00 O ATOM 1224 CB PRO A 80 -11.193 -1.704 4.261 1.00 0.00 C ATOM 1225 CG PRO A 80 -11.097 -0.522 5.162 1.00 0.00 C ATOM 1226 CD PRO A 80 -10.078 0.392 4.540 1.00 0.00 C ATOM 0 HA PRO A 80 -10.436 -1.839 2.190 1.00 0.00 H new ATOM 0 HB2 PRO A 80 -12.172 -2.178 4.333 1.00 0.00 H new ATOM 0 HB3 PRO A 80 -10.453 -2.461 4.521 1.00 0.00 H new ATOM 0 HG2 PRO A 80 -12.062 -0.024 5.256 1.00 0.00 H new ATOM 0 HG3 PRO A 80 -10.793 -0.820 6.165 1.00 0.00 H new ATOM 0 HD2 PRO A 80 -10.313 1.440 4.724 1.00 0.00 H new ATOM 0 HD3 PRO A 80 -9.080 0.213 4.941 1.00 0.00 H new ATOM 1234 N ASP A 81 -12.812 -1.824 1.463 1.00 0.00 N ATOM 1235 CA ASP A 81 -14.078 -1.658 0.758 1.00 0.00 C ATOM 1236 C ASP A 81 -15.252 -2.056 1.647 1.00 0.00 C ATOM 1237 O ASP A 81 -16.384 -2.175 1.180 1.00 0.00 O ATOM 1238 CB ASP A 81 -14.085 -2.493 -0.523 1.00 0.00 C ATOM 1239 CG ASP A 81 -13.421 -1.779 -1.684 1.00 0.00 C ATOM 1240 OD1 ASP A 81 -13.502 -0.534 -1.740 1.00 0.00 O ATOM 1241 OD2 ASP A 81 -12.819 -2.466 -2.536 1.00 0.00 O ATOM 0 H ASP A 81 -12.392 -2.748 1.364 1.00 0.00 H new ATOM 0 HA ASP A 81 -14.185 -0.605 0.497 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -13.572 -3.437 -0.340 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -15.114 -2.735 -0.790 1.00 0.00 H new ATOM 1246 N ALA A 82 -14.972 -2.263 2.930 1.00 0.00 N ATOM 1247 CA ALA A 82 -16.005 -2.647 3.884 1.00 0.00 C ATOM 1248 C ALA A 82 -16.144 -1.607 4.990 1.00 0.00 C ATOM 1249 O ALA A 82 -17.218 -1.443 5.570 1.00 0.00 O ATOM 1250 CB ALA A 82 -15.693 -4.013 4.477 1.00 0.00 C ATOM 0 H ALA A 82 -14.039 -2.171 3.332 1.00 0.00 H new ATOM 0 HA ALA A 82 -16.955 -2.702 3.352 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -16.472 -4.288 5.188 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -15.651 -4.755 3.680 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -14.731 -3.976 4.989 1.00 0.00 H new ATOM 1256 N TYR A 83 -15.053 -0.908 5.280 1.00 0.00 N ATOM 1257 CA TYR A 83 -15.053 0.114 6.319 1.00 0.00 C ATOM 1258 C TYR A 83 -14.552 1.448 5.773 1.00 0.00 C ATOM 1259 O TYR A 83 -14.164 1.548 4.609 1.00 0.00 O ATOM 1260 CB TYR A 83 -14.182 -0.326 7.497 1.00 0.00 C ATOM 1261 CG TYR A 83 -14.593 -1.655 8.091 1.00 0.00 C ATOM 1262 CD1 TYR A 83 -14.214 -2.851 7.494 1.00 0.00 C ATOM 1263 CD2 TYR A 83 -15.360 -1.714 9.247 1.00 0.00 C ATOM 1264 CE1 TYR A 83 -14.588 -4.068 8.032 1.00 0.00 C ATOM 1265 CE2 TYR A 83 -15.737 -2.925 9.793 1.00 0.00 C ATOM 1266 CZ TYR A 83 -15.349 -4.099 9.182 1.00 0.00 C ATOM 1267 OH TYR A 83 -15.724 -5.308 9.722 1.00 0.00 O ATOM 0 H TYR A 83 -14.156 -1.031 4.810 1.00 0.00 H new ATOM 0 HA TYR A 83 -16.079 0.245 6.663 1.00 0.00 H new ATOM 0 HB2 TYR A 83 -13.145 -0.390 7.167 1.00 0.00 H new ATOM 0 HB3 TYR A 83 -14.223 0.438 8.274 1.00 0.00 H new ATOM 0 HD1 TYR A 83 -13.617 -2.829 6.594 1.00 0.00 H new ATOM 0 HD2 TYR A 83 -15.667 -0.797 9.727 1.00 0.00 H new ATOM 0 HE1 TYR A 83 -14.286 -4.989 7.555 1.00 0.00 H new ATOM 0 HE2 TYR A 83 -16.332 -2.953 10.694 1.00 0.00 H new ATOM 0 HH TYR A 83 -15.539 -6.025 9.080 1.00 0.00 H new ATOM 1277 N ASN A 84 -14.562 2.470 6.622 1.00 0.00 N ATOM 1278 CA ASN A 84 -14.109 3.798 6.226 1.00 0.00 C ATOM 1279 C ASN A 84 -12.853 4.196 6.995 1.00 0.00 C ATOM 1280 O ASN A 84 -12.879 5.116 7.813 1.00 0.00 O ATOM 1281 CB ASN A 84 -15.215 4.829 6.463 1.00 0.00 C ATOM 1282 CG ASN A 84 -14.868 6.190 5.892 1.00 0.00 C ATOM 1283 OD1 ASN A 84 -13.739 6.427 5.465 1.00 0.00 O ATOM 1284 ND2 ASN A 84 -15.842 7.093 5.883 1.00 0.00 N ATOM 0 H ASN A 84 -14.879 2.404 7.589 1.00 0.00 H new ATOM 0 HA ASN A 84 -13.869 3.771 5.163 1.00 0.00 H new ATOM 0 HB2 ASN A 84 -16.142 4.474 6.012 1.00 0.00 H new ATOM 0 HB3 ASN A 84 -15.397 4.923 7.534 1.00 0.00 H new ATOM 0 HD21 ASN A 84 -15.668 8.027 5.511 1.00 0.00 H new ATOM 0 HD22 ASN A 84 -16.764 6.853 6.248 1.00 0.00 H new ATOM 1291 N VAL A 85 -11.755 3.499 6.725 1.00 0.00 N ATOM 1292 CA VAL A 85 -10.488 3.780 7.390 1.00 0.00 C ATOM 1293 C VAL A 85 -9.364 3.960 6.377 1.00 0.00 C ATOM 1294 O VAL A 85 -9.389 3.375 5.293 1.00 0.00 O ATOM 1295 CB VAL A 85 -10.106 2.654 8.370 1.00 0.00 C ATOM 1296 CG1 VAL A 85 -9.898 1.345 7.624 1.00 0.00 C ATOM 1297 CG2 VAL A 85 -8.860 3.033 9.156 1.00 0.00 C ATOM 0 H VAL A 85 -11.717 2.735 6.050 1.00 0.00 H new ATOM 0 HA VAL A 85 -10.622 4.707 7.948 1.00 0.00 H new ATOM 0 HB VAL A 85 -10.925 2.516 9.076 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -9.629 0.561 8.332 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -10.819 1.069 7.110 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -9.097 1.465 6.894 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -8.604 2.227 9.843 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -8.032 3.199 8.467 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -9.050 3.945 9.721 1.00 0.00 H new ATOM 1307 N THR A 86 -8.376 4.775 6.736 1.00 0.00 N ATOM 1308 CA THR A 86 -7.242 5.033 5.858 1.00 0.00 C ATOM 1309 C THR A 86 -5.921 4.853 6.598 1.00 0.00 C ATOM 1310 O THR A 86 -5.693 5.467 7.641 1.00 0.00 O ATOM 1311 CB THR A 86 -7.298 6.457 5.271 1.00 0.00 C ATOM 1312 OG1 THR A 86 -7.430 7.416 6.326 1.00 0.00 O ATOM 1313 CG2 THR A 86 -8.463 6.597 4.302 1.00 0.00 C ATOM 0 H THR A 86 -8.339 5.267 7.629 1.00 0.00 H new ATOM 0 HA THR A 86 -7.302 4.310 5.045 1.00 0.00 H new ATOM 0 HB THR A 86 -6.371 6.640 4.728 1.00 0.00 H new ATOM 0 HG1 THR A 86 -7.042 7.052 7.149 1.00 0.00 H new ATOM 0 HG21 THR A 86 -8.482 7.610 3.900 1.00 0.00 H new ATOM 0 HG22 THR A 86 -8.344 5.885 3.485 1.00 0.00 H new ATOM 0 HG23 THR A 86 -9.398 6.396 4.825 1.00 0.00 H new ATOM 1321 N LEU A 87 -5.053 4.008 6.052 1.00 0.00 N ATOM 1322 CA LEU A 87 -3.753 3.748 6.661 1.00 0.00 C ATOM 1323 C LEU A 87 -2.663 4.581 5.995 1.00 0.00 C ATOM 1324 O LEU A 87 -2.206 4.281 4.891 1.00 0.00 O ATOM 1325 CB LEU A 87 -3.409 2.261 6.559 1.00 0.00 C ATOM 1326 CG LEU A 87 -4.085 1.344 7.579 1.00 0.00 C ATOM 1327 CD1 LEU A 87 -5.558 1.166 7.242 1.00 0.00 C ATOM 1328 CD2 LEU A 87 -3.382 -0.004 7.633 1.00 0.00 C ATOM 0 H LEU A 87 -5.226 3.492 5.189 1.00 0.00 H new ATOM 0 HA LEU A 87 -3.808 4.031 7.712 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -3.672 1.916 5.559 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -2.329 2.151 6.661 1.00 0.00 H new ATOM 0 HG LEU A 87 -4.011 1.809 8.562 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -6.023 0.511 7.978 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -6.054 2.136 7.255 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -5.653 0.723 6.251 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -3.877 -0.643 8.364 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -3.424 -0.476 6.651 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -2.341 0.140 7.922 1.00 0.00 H new ATOM 1340 N PRO A 88 -2.234 5.651 6.680 1.00 0.00 N ATOM 1341 CA PRO A 88 -1.190 6.548 6.174 1.00 0.00 C ATOM 1342 C PRO A 88 0.184 5.886 6.156 1.00 0.00 C ATOM 1343 O PRO A 88 0.512 5.092 7.037 1.00 0.00 O ATOM 1344 CB PRO A 88 -1.210 7.711 7.169 1.00 0.00 C ATOM 1345 CG PRO A 88 -1.753 7.126 8.426 1.00 0.00 C ATOM 1346 CD PRO A 88 -2.734 6.068 8.000 1.00 0.00 C ATOM 0 HA PRO A 88 -1.374 6.848 5.142 1.00 0.00 H new ATOM 0 HB2 PRO A 88 -0.211 8.118 7.322 1.00 0.00 H new ATOM 0 HB3 PRO A 88 -1.836 8.528 6.810 1.00 0.00 H new ATOM 0 HG2 PRO A 88 -0.956 6.697 9.033 1.00 0.00 H new ATOM 0 HG3 PRO A 88 -2.241 7.889 9.033 1.00 0.00 H new ATOM 0 HD2 PRO A 88 -2.757 5.235 8.703 1.00 0.00 H new ATOM 0 HD3 PRO A 88 -3.749 6.462 7.939 1.00 0.00 H new ATOM 1354 N ALA A 89 0.983 6.219 5.147 1.00 0.00 N ATOM 1355 CA ALA A 89 2.322 5.658 5.017 1.00 0.00 C ATOM 1356 C ALA A 89 3.259 6.634 4.312 1.00 0.00 C ATOM 1357 O ALA A 89 2.938 7.159 3.246 1.00 0.00 O ATOM 1358 CB ALA A 89 2.270 4.337 4.264 1.00 0.00 C ATOM 0 H ALA A 89 0.726 6.874 4.408 1.00 0.00 H new ATOM 0 HA ALA A 89 2.713 5.478 6.018 1.00 0.00 H new ATOM 0 HB1 ALA A 89 3.277 3.929 4.174 1.00 0.00 H new ATOM 0 HB2 ALA A 89 1.641 3.633 4.808 1.00 0.00 H new ATOM 0 HB3 ALA A 89 1.855 4.501 3.269 1.00 0.00 H new ATOM 1364 N LYS A 90 4.418 6.874 4.916 1.00 0.00 N ATOM 1365 CA LYS A 90 5.403 7.786 4.347 1.00 0.00 C ATOM 1366 C LYS A 90 6.513 7.016 3.639 1.00 0.00 C ATOM 1367 O LYS A 90 7.034 6.033 4.166 1.00 0.00 O ATOM 1368 CB LYS A 90 6.001 8.672 5.443 1.00 0.00 C ATOM 1369 CG LYS A 90 6.905 9.770 4.911 1.00 0.00 C ATOM 1370 CD LYS A 90 6.103 10.890 4.269 1.00 0.00 C ATOM 1371 CE LYS A 90 7.001 11.855 3.511 1.00 0.00 C ATOM 1372 NZ LYS A 90 6.364 13.190 3.341 1.00 0.00 N ATOM 0 H LYS A 90 4.698 6.449 5.800 1.00 0.00 H new ATOM 0 HA LYS A 90 4.898 8.415 3.614 1.00 0.00 H new ATOM 0 HB2 LYS A 90 5.191 9.125 6.015 1.00 0.00 H new ATOM 0 HB3 LYS A 90 6.569 8.048 6.134 1.00 0.00 H new ATOM 0 HG2 LYS A 90 7.507 10.173 5.725 1.00 0.00 H new ATOM 0 HG3 LYS A 90 7.596 9.351 4.180 1.00 0.00 H new ATOM 0 HD2 LYS A 90 5.365 10.466 3.588 1.00 0.00 H new ATOM 0 HD3 LYS A 90 5.552 11.432 5.038 1.00 0.00 H new ATOM 0 HE2 LYS A 90 7.944 11.968 4.045 1.00 0.00 H new ATOM 0 HE3 LYS A 90 7.237 11.438 2.532 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 7.008 13.818 2.820 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 5.476 13.086 2.809 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 6.162 13.600 4.275 1.00 0.00 H new ATOM 1386 N VAL A 91 6.871 7.469 2.442 1.00 0.00 N ATOM 1387 CA VAL A 91 7.921 6.824 1.663 1.00 0.00 C ATOM 1388 C VAL A 91 8.899 7.851 1.103 1.00 0.00 C ATOM 1389 O VAL A 91 8.546 9.012 0.894 1.00 0.00 O ATOM 1390 CB VAL A 91 7.334 6.003 0.500 1.00 0.00 C ATOM 1391 CG1 VAL A 91 7.142 4.552 0.914 1.00 0.00 C ATOM 1392 CG2 VAL A 91 6.020 6.610 0.030 1.00 0.00 C ATOM 0 H VAL A 91 6.449 8.281 1.990 1.00 0.00 H new ATOM 0 HA VAL A 91 8.450 6.153 2.340 1.00 0.00 H new ATOM 0 HB VAL A 91 8.038 6.028 -0.332 1.00 0.00 H new ATOM 0 HG11 VAL A 91 6.726 3.987 0.079 1.00 0.00 H new ATOM 0 HG12 VAL A 91 8.104 4.124 1.198 1.00 0.00 H new ATOM 0 HG13 VAL A 91 6.458 4.503 1.761 1.00 0.00 H new ATOM 0 HG21 VAL A 91 5.619 6.017 -0.792 1.00 0.00 H new ATOM 0 HG22 VAL A 91 5.307 6.616 0.854 1.00 0.00 H new ATOM 0 HG23 VAL A 91 6.192 7.632 -0.309 1.00 0.00 H new ATOM 1402 N HIS A 92 10.131 7.415 0.860 1.00 0.00 N ATOM 1403 CA HIS A 92 11.162 8.297 0.322 1.00 0.00 C ATOM 1404 C HIS A 92 12.005 7.573 -0.724 1.00 0.00 C ATOM 1405 O HIS A 92 12.225 6.365 -0.630 1.00 0.00 O ATOM 1406 CB HIS A 92 12.058 8.814 1.447 1.00 0.00 C ATOM 1407 CG HIS A 92 13.085 9.804 0.988 1.00 0.00 C ATOM 1408 ND1 HIS A 92 12.759 11.022 0.430 1.00 0.00 N ATOM 1409 CD2 HIS A 92 14.437 9.750 1.009 1.00 0.00 C ATOM 1410 CE1 HIS A 92 13.867 11.674 0.125 1.00 0.00 C ATOM 1411 NE2 HIS A 92 14.899 10.925 0.467 1.00 0.00 N ATOM 0 H HIS A 92 10.440 6.457 1.027 1.00 0.00 H new ATOM 0 HA HIS A 92 10.668 9.143 -0.157 1.00 0.00 H new ATOM 0 HB2 HIS A 92 11.435 9.277 2.212 1.00 0.00 H new ATOM 0 HB3 HIS A 92 12.563 7.969 1.915 1.00 0.00 H new ATOM 0 HD2 HIS A 92 15.040 8.936 1.382 1.00 0.00 H new ATOM 0 HE1 HIS A 92 13.920 12.653 -0.327 1.00 0.00 H new ATOM 0 HE2 HIS A 92 15.880 11.178 0.348 1.00 0.00 H new ATOM 1420 N VAL A 93 12.473 8.318 -1.719 1.00 0.00 N ATOM 1421 CA VAL A 93 13.292 7.748 -2.782 1.00 0.00 C ATOM 1422 C VAL A 93 14.677 8.383 -2.810 1.00 0.00 C ATOM 1423 O VAL A 93 14.829 9.576 -2.545 1.00 0.00 O ATOM 1424 CB VAL A 93 12.628 7.929 -4.160 1.00 0.00 C ATOM 1425 CG1 VAL A 93 12.588 9.400 -4.545 1.00 0.00 C ATOM 1426 CG2 VAL A 93 13.360 7.113 -5.215 1.00 0.00 C ATOM 0 H VAL A 93 12.299 9.319 -1.812 1.00 0.00 H new ATOM 0 HA VAL A 93 13.389 6.683 -2.570 1.00 0.00 H new ATOM 0 HB VAL A 93 11.602 7.566 -4.100 1.00 0.00 H new ATOM 0 HG11 VAL A 93 12.115 9.508 -5.521 1.00 0.00 H new ATOM 0 HG12 VAL A 93 12.016 9.955 -3.802 1.00 0.00 H new ATOM 0 HG13 VAL A 93 13.604 9.793 -4.588 1.00 0.00 H new ATOM 0 HG21 VAL A 93 12.878 7.253 -6.182 1.00 0.00 H new ATOM 0 HG22 VAL A 93 14.397 7.443 -5.276 1.00 0.00 H new ATOM 0 HG23 VAL A 93 13.331 6.058 -4.944 1.00 0.00 H new ATOM 1436 N ILE A 94 15.684 7.579 -3.133 1.00 0.00 N ATOM 1437 CA ILE A 94 17.057 8.064 -3.197 1.00 0.00 C ATOM 1438 C ILE A 94 17.446 8.428 -4.626 1.00 0.00 C ATOM 1439 O ILE A 94 17.334 7.609 -5.538 1.00 0.00 O ATOM 1440 CB ILE A 94 18.050 7.016 -2.658 1.00 0.00 C ATOM 1441 CG1 ILE A 94 17.484 6.342 -1.407 1.00 0.00 C ATOM 1442 CG2 ILE A 94 19.392 7.665 -2.355 1.00 0.00 C ATOM 1443 CD1 ILE A 94 17.595 7.191 -0.160 1.00 0.00 C ATOM 0 H ILE A 94 15.575 6.589 -3.354 1.00 0.00 H new ATOM 0 HA ILE A 94 17.106 8.955 -2.571 1.00 0.00 H new ATOM 0 HB ILE A 94 18.201 6.253 -3.422 1.00 0.00 H new ATOM 0 HG12 ILE A 94 16.436 6.098 -1.578 1.00 0.00 H new ATOM 0 HG13 ILE A 94 18.008 5.400 -1.243 1.00 0.00 H new ATOM 0 HG21 ILE A 94 20.083 6.912 -1.975 1.00 0.00 H new ATOM 0 HG22 ILE A 94 19.798 8.103 -3.267 1.00 0.00 H new ATOM 0 HG23 ILE A 94 19.258 8.445 -1.606 1.00 0.00 H new ATOM 0 HD11 ILE A 94 17.174 6.650 0.687 1.00 0.00 H new ATOM 0 HD12 ILE A 94 18.644 7.414 0.036 1.00 0.00 H new ATOM 0 HD13 ILE A 94 17.047 8.122 -0.304 1.00 0.00 H new